#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r84 n ALA 2 N 0.00 -1.14 -3.48 -1.58 0.00 -1.26 -4.29 120.51 108.77 1r84 n ALA 2 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1r84 n ALA 2 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1r84 n ALA 2 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1r84 n GLN 3 N 0.75 -0.68 -1.71 0.00 6.02 -1.26 -4.65 117.38 115.86 1r84 n GLN 3 Ca 0.00 0.02 -0.43 0.00 -0.01 0.00 0.00 57.00 56.58 1r84 n GLN 3 Cb 0.07 -0.74 -0.01 0.00 1.02 0.00 0.00 30.24 30.58 1r84 n GLN 3 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1r84 n ILE 4 N -2.09 1.59 -3.52 5.09 5.41 -1.26 -4.60 119.36 119.98 1r84 n ILE 4 Ca -0.10 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.26 1r84 n ILE 4 Cb 0.27 -1.64 0.00 0.00 -0.71 0.00 0.00 39.64 37.56 1r84 n ILE 4 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1r84 n THR 5 N 1.00 0.00 -0.82 1.39 5.66 -1.26 -4.62 114.28 115.63 1r84 n THR 5 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1r84 n THR 5 Cb 0.35 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.13 1r84 n THR 5 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1r84 n GLY 6 N 0.80 0.43 2.03 1.09 0.00 -1.26 -4.34 105.19 103.94 1r84 n GLY 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1r84 n GLY 6 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1r84 n ARG 7 N -1.71 0.00 0.39 1.61 3.00 -1.26 -4.96 116.66 113.73 1r84 n ARG 7 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.69 1r84 n ARG 7 Cb 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.46 1r84 n ARG 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1r84 h PRO 8 N 0.00 -0.99 0.00 -0.14 0.11 -1.87 -3.20 132.00 125.92 1r84 h PRO 8 Ca 0.00 0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1r84 h PRO 8 Cb 0.00 0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1r84 h PRO 8 CO 0.00 -0.66 0.00 -0.85 -0.21 0.00 0.00 178.00 176.28 1r84 n GLU 9 N -5.27 0.36 -0.28 1.05 0.00 -1.26 -3.93 120.64 111.30 1r84 n GLU 9 Ca -0.13 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.11 1r84 n GLU 9 Cb 0.40 -1.29 0.22 0.00 0.00 0.00 0.00 31.44 30.78 1r84 n GLU 9 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 1r84 h TRP 10 N 0.00 0.67 -0.04 -1.84 5.08 -1.92 -0.26 115.95 117.64 1r84 h TRP 10 Ca 0.00 0.04 -0.00 0.00 1.08 0.00 0.00 58.89 60.01 1r84 h TRP 10 Cb 0.00 -0.17 -0.00 0.00 -3.00 0.00 0.00 29.16 25.99 1r84 h TRP 10 CO 0.00 0.11 0.03 0.97 -1.28 0.00 0.00 178.44 178.27 1r84 h ILE 11 N 0.53 1.04 -0.02 0.12 2.10 -1.85 0.20 117.51 119.63 1r84 h ILE 11 Ca 0.46 -0.12 0.03 0.00 1.08 0.00 0.00 64.86 66.31 1r84 h ILE 11 Cb 0.70 1.05 -0.04 0.00 -1.09 0.00 0.00 36.82 37.45 1r84 h ILE 11 CO -0.40 0.04 -0.18 -0.50 -1.08 0.00 0.00 178.15 176.03 1r84 h TRP 12 N 0.02 -0.46 0.19 2.19 -0.00 -1.63 0.64 115.95 116.89 1r84 h TRP 12 Ca 0.01 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 58.93 1r84 h TRP 12 Cb 0.04 0.21 -0.02 0.00 -0.00 0.00 0.00 29.16 29.39 1r84 h TRP 12 CO -0.06 -0.26 -0.20 -0.07 -0.00 0.00 0.00 178.44 177.85 1r84 h LEU 13 N -0.28 -0.54 -0.67 -4.49 3.38 -0.93 0.71 115.31 112.50 1r84 h LEU 13 Ca 0.06 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.22 1r84 h LEU 13 Cb 0.36 0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.20 1r84 h LEU 13 CO -0.18 -0.30 0.11 0.00 0.09 0.00 0.00 178.44 178.16 1r84 h ALA 14 N 0.32 0.78 -0.33 1.53 0.00 -0.49 0.41 119.26 121.49 1r84 h ALA 14 Ca 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1r84 h ALA 14 Cb 0.41 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1r84 h ALA 14 CO -0.06 -0.35 0.03 1.25 0.00 0.00 0.00 179.25 180.12 1r84 h LEU 15 N 0.22 0.54 -0.18 0.00 5.85 -0.58 0.07 115.31 121.23 1r84 h LEU 15 Ca 0.36 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1r84 h LEU 15 Cb 0.59 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 1r84 h LEU 15 CO -0.49 0.69 -0.41 1.23 -0.34 0.00 0.00 178.44 179.12 1r84 h GLY 16 N 0.37 -0.65 -0.05 3.75 0.00 -0.46 -1.20 103.07 104.83 1r84 h GLY 16 Ca 0.10 0.51 0.09 0.00 0.00 0.00 0.00 47.33 48.03 1r84 h GLY 16 CO 0.01 -0.22 -0.23 -0.84 0.00 0.00 0.00 176.54 175.27 1r84 h THR 17 N -0.45 0.36 0.38 4.70 2.02 -0.69 -0.38 112.91 118.85 1r84 h THR 17 Ca 0.09 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 1r84 h THR 17 Cb 0.61 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1r84 h THR 17 CO -0.42 0.00 -0.47 0.00 0.37 0.00 0.00 175.52 175.00 1r84 h ALA 18 N 1.09 -1.00 -0.09 6.16 0.00 -0.74 -0.61 119.26 124.07 1r84 h ALA 18 Ca 0.20 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1r84 h ALA 18 Cb 0.46 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1r84 h ALA 18 CO -0.51 -1.11 -0.04 -0.07 0.00 0.00 0.00 179.25 177.52 1r84 h LEU 19 N -0.88 -0.14 -0.27 0.00 3.38 -0.98 -0.14 115.31 116.26 1r84 h LEU 19 Ca -0.04 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1r84 h LEU 19 Cb 0.80 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 1r84 h LEU 19 CO -0.12 -0.06 -0.07 0.24 0.09 0.00 0.00 178.44 178.52 1r84 h MET 20 N -0.04 0.00 0.64 1.13 2.86 -1.07 0.11 114.93 118.57 1r84 h MET 20 Ca 0.05 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1r84 h MET 20 Cb 0.11 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1r84 h MET 20 CO -0.11 0.00 -0.41 0.78 1.06 0.00 0.00 176.91 178.22 1r84 h GLY 21 N 0.00 -1.11 0.62 8.32 0.00 -0.84 0.31 103.07 110.38 1r84 h GLY 21 Ca 0.13 0.46 0.06 0.00 0.00 0.00 0.00 47.33 47.98 1r84 h GLY 21 CO -0.28 -0.38 0.25 1.41 0.00 0.00 0.00 176.54 177.54 1r84 h LEU 22 N -1.00 0.33 -0.85 3.11 3.38 -0.98 0.40 115.31 119.70 1r84 h LEU 22 Ca -0.08 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.04 1r84 h LEU 22 Cb 0.82 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.48 1r84 h LEU 22 CO 0.07 0.22 0.49 1.23 0.09 0.00 0.00 178.44 180.54 1r84 h GLY 23 N 0.48 1.34 0.96 0.83 0.00 -0.71 0.23 103.07 106.21 1r84 h GLY 23 Ca 0.25 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 1r84 h GLY 23 CO -0.20 0.11 -0.46 -0.84 0.00 0.00 0.00 176.54 175.15 1r84 h THR 24 N 0.80 0.00 -0.95 4.70 2.02 -0.18 -1.68 112.91 117.62 1r84 h THR 24 Ca 0.42 -0.02 0.16 0.00 0.77 0.00 0.00 66.41 67.74 1r84 h THR 24 Cb 0.42 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.73 1r84 h THR 24 CO -0.27 0.00 0.55 -0.07 0.37 0.00 0.00 175.52 176.10 1r84 h LEU 25 N -1.31 0.72 0.43 2.58 -0.00 -0.67 -0.32 115.31 116.74 1r84 h LEU 25 Ca -0.13 0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.83 1r84 h LEU 25 Cb 0.99 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.58 1r84 h LEU 25 CO 0.22 0.30 -0.42 0.22 -0.00 0.00 0.00 178.44 178.75 1r84 h TYR 26 N 0.76 -1.15 -0.87 1.13 3.20 -0.53 0.39 116.97 119.90 1r84 h TYR 26 Ca 0.52 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.41 1r84 h TYR 26 Cb 0.73 0.44 -0.04 0.00 1.54 0.00 0.00 36.73 39.40 1r84 h TYR 26 CO -0.04 -0.58 0.58 0.74 -1.64 0.00 0.00 178.16 177.22 1r84 h PHE 27 N -0.86 1.09 0.16 -3.82 0.04 -0.67 -2.69 116.94 110.18 1r84 h PHE 27 Ca -0.04 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1r84 h PHE 27 Cb 0.76 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 1r84 h PHE 27 CO -0.22 0.67 -0.13 -0.07 -0.60 0.00 0.00 178.31 177.96 1r84 h LEU 28 N 1.16 -0.34 -3.28 1.54 3.38 -0.99 -1.14 115.31 115.64 1r84 h LEU 28 Ca 0.33 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 1r84 h LEU 28 Cb -0.10 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1r84 h LEU 28 CO -0.08 -0.18 -0.02 0.52 0.09 0.00 0.00 178.44 178.77 1r84 n VAL 29 N -3.05 1.72 0.00 1.22 0.31 0.12 -2.12 118.33 116.52 1r84 n VAL 29 Ca -0.03 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1r84 n VAL 29 Cb 0.12 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 1r84 n VAL 29 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1r84 n LYS 30 N 1.69 0.00 0.00 5.55 4.81 -1.02 -4.85 118.16 124.34 1r84 n LYS 30 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1r84 n LYS 30 Cb 0.44 -0.25 0.00 0.00 0.02 0.00 0.00 35.03 35.25 1r84 n LYS 30 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1r84 n GLY 31 N 1.37 1.07 0.21 3.14 0.00 -0.44 -4.28 105.19 106.26 1r84 n GLY 31 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1r84 n GLY 31 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1r84 h MET 32 N 0.46 0.65 0.00 1.61 2.86 -1.86 -3.40 114.93 115.25 1r84 h MET 32 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1r84 h MET 32 Cb 0.42 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1r84 h MET 32 CO 0.00 0.43 0.00 0.41 1.06 0.00 0.00 176.91 178.81 1r84 n GLY 33 N -1.24 0.99 2.30 8.32 0.00 -1.26 -5.04 105.19 109.26 1r84 n GLY 33 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 1r84 n GLY 33 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1r84 n VAL 34 N -0.49 -1.45 -0.07 1.61 0.31 -1.26 -4.97 118.33 112.01 1r84 n VAL 34 Ca 0.00 0.29 -0.13 0.00 -0.01 0.00 0.00 64.34 64.49 1r84 n VAL 34 Cb 0.00 -1.99 -0.12 0.00 -0.91 0.00 0.00 33.84 30.82 1r84 n VAL 34 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1r84 h SER 35 N 2.52 -0.00 -1.42 4.52 0.02 -1.97 -3.46 113.55 113.77 1r84 h SER 35 Ca -0.05 -0.90 -0.72 0.00 -0.84 0.00 0.00 61.79 59.29 1r84 h SER 35 Cb 0.69 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.23 1r84 h SER 35 CO 0.02 0.94 1.05 -0.67 -1.14 0.00 0.00 176.83 177.03 1r84 n ASP 36 N -4.63 2.36 0.19 3.07 2.03 -1.26 -4.86 116.55 113.45 1r84 n ASP 36 Ca -0.09 0.91 0.12 0.00 0.52 0.00 0.00 54.79 56.24 1r84 n ASP 36 Cb 0.43 -1.17 0.67 0.00 -0.72 0.00 0.00 41.12 40.33 1r84 n ASP 36 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1r84 h PRO 37 N 8.58 0.00 0.56 -0.67 0.13 -1.99 -0.59 132.00 138.02 1r84 h PRO 37 Ca -0.41 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.69 1r84 h PRO 37 Cb 1.32 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.45 1r84 h PRO 37 CO 0.98 0.00 -0.27 -0.44 -0.23 0.00 0.00 178.00 178.04 1r84 h ASP 38 N 0.00 -0.63 -1.00 1.44 3.32 -1.92 -3.16 116.42 114.46 1r84 h ASP 38 Ca 0.07 0.02 0.25 0.00 0.02 0.00 0.00 57.03 57.39 1r84 h ASP 38 Cb 0.27 0.16 -0.13 0.00 0.22 0.00 0.00 39.33 39.86 1r84 h ASP 38 CO -0.00 -0.26 0.59 0.00 -1.72 0.00 0.00 179.24 177.84 1r84 h ALA 39 N -1.28 1.80 -0.76 3.45 0.00 -1.73 -0.83 119.26 119.92 1r84 h ALA 39 Ca -0.08 0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.14 1r84 h ALA 39 Cb 0.57 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.27 1r84 h ALA 39 CO 0.13 -0.30 0.03 -0.22 0.00 0.00 0.00 179.25 178.88 1r84 h LYS 40 N 0.55 0.11 0.17 0.00 3.64 -1.14 -1.28 116.57 118.61 1r84 h LYS 40 Ca 0.65 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 60.03 1r84 h LYS 40 Cb 1.27 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 1r84 h LYS 40 CO -0.49 0.08 -0.17 0.87 -2.27 0.00 0.00 179.45 177.46 1r84 h LYS 41 N 0.12 -0.36 -0.13 1.90 1.57 -1.11 -1.32 116.57 117.23 1r84 h LYS 41 Ca 0.42 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.25 1r84 h LYS 41 Cb 0.74 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 1r84 h LYS 41 CO -0.65 -0.24 -0.05 0.74 -0.57 0.00 0.00 179.45 178.68 1r84 h PHE 42 N -0.37 -0.11 -0.19 -1.35 0.04 -1.38 -0.19 116.94 113.38 1r84 h PHE 42 Ca 0.00 0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.84 1r84 h PHE 42 Cb 0.36 0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.53 1r84 h PHE 42 CO -0.14 -0.08 -0.12 1.88 -0.60 0.00 0.00 178.31 179.24 1r84 h TYR 43 N -0.03 -0.31 0.20 -0.55 -1.99 -1.24 -0.94 116.97 112.12 1r84 h TYR 43 Ca 0.07 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.83 1r84 h TYR 43 Cb 0.13 0.16 -0.03 0.00 2.00 0.00 0.00 36.73 38.99 1r84 h TYR 43 CO -0.18 -0.19 -0.42 0.00 -0.00 0.00 0.00 178.16 177.37 1r84 h ALA 44 N 1.02 -0.97 -0.24 3.88 0.00 -0.83 -1.23 119.26 120.90 1r84 h ALA 44 Ca 0.11 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1r84 h ALA 44 Cb 0.28 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 1r84 h ALA 44 CO -0.26 -1.05 -0.43 0.82 0.00 0.00 0.00 179.25 178.32 1r84 h ILE 45 N -0.68 0.12 0.00 0.00 2.04 -1.03 -2.32 117.51 115.64 1r84 h ILE 45 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1r84 h ILE 45 Cb 0.64 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1r84 h ILE 45 CO -0.17 0.00 0.00 0.74 0.00 0.00 0.00 178.15 178.72 1r84 h THR 46 N -0.44 0.00 0.11 -0.27 2.02 -1.08 -2.74 112.91 110.52 1r84 h THR 46 Ca 0.09 -0.29 -0.31 0.00 0.77 0.00 0.00 66.41 66.68 1r84 h THR 46 Cb 0.61 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1r84 h THR 46 CO -0.47 0.00 -1.62 0.74 0.37 0.00 0.00 175.52 174.54 1r84 h THR 47 N 0.00 0.87 -0.87 3.16 2.02 -0.84 -3.38 112.91 113.87 1r84 h THR 47 Ca 0.00 -2.36 0.07 0.00 0.77 0.00 0.00 66.41 64.89 1r84 h THR 47 Cb 0.38 2.58 -0.07 0.00 -1.74 0.00 0.00 68.15 69.30 1r84 h THR 47 CO 0.00 0.73 0.54 -0.07 0.37 0.00 0.00 175.52 177.09 1r84 h LEU 48 N -0.24 0.83 -0.04 2.58 3.38 -1.28 -2.59 115.31 117.96 1r84 h LEU 48 Ca -0.35 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.66 1r84 h LEU 48 Cb 1.82 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 42.38 1r84 h LEU 48 CO 0.04 0.51 -0.46 0.58 0.09 0.00 0.00 178.44 179.21 1r84 h VAL 49 N 0.95 0.00 -0.67 1.22 2.07 -1.66 0.16 116.25 118.32 1r84 h VAL 49 Ca 0.39 0.00 0.14 0.00 0.82 0.00 0.00 66.70 68.06 1r84 h VAL 49 Cb 0.23 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.89 1r84 h VAL 49 CO -0.20 0.00 0.03 -0.65 0.02 0.00 0.00 177.57 176.78 1r84 h PRO 50 N -0.54 0.14 -0.50 1.57 0.11 -1.72 -2.77 132.00 128.29 1r84 h PRO 50 Ca 0.02 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.12 1r84 h PRO 50 Cb 0.60 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.65 1r84 h PRO 50 CO -0.32 0.09 0.33 0.00 -0.21 0.00 0.00 178.00 177.88 1r84 h ALA 51 N 1.61 0.63 0.10 -0.75 0.00 -0.91 0.13 119.26 120.06 1r84 h ALA 51 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1r84 h ALA 51 Cb 0.60 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1r84 h ALA 51 CO -0.56 0.07 -0.10 0.82 0.00 0.00 0.00 179.25 179.48 1r84 h ILE 52 N 0.67 0.76 -0.78 0.00 2.04 -1.02 -2.26 117.51 116.93 1r84 h ILE 52 Ca 0.18 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.14 1r84 h ILE 52 Cb -0.07 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 36.70 1r84 h ILE 52 CO -0.04 0.00 0.42 0.00 0.00 0.00 0.00 178.15 178.53 1r84 h ALA 53 N 0.66 1.11 0.15 1.87 0.00 -1.16 -1.26 119.26 120.64 1r84 h ALA 53 Ca 0.01 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1r84 h ALA 53 Cb 0.22 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1r84 h ALA 53 CO -0.03 0.02 -0.44 0.35 0.00 0.00 0.00 179.25 179.14 1r84 h PHE 54 N 0.70 -1.23 -0.46 0.00 3.57 -0.60 0.62 116.94 119.53 1r84 h PHE 54 Ca 0.39 0.03 0.09 0.00 3.53 0.00 0.00 57.97 62.01 1r84 h PHE 54 Cb 0.40 0.52 -0.10 0.00 2.79 0.00 0.00 35.95 39.57 1r84 h PHE 54 CO -0.08 -0.54 -0.26 1.15 -2.23 0.00 0.00 178.31 176.35 1r84 h THR 55 N -0.69 0.30 -0.08 4.41 2.02 -0.97 -0.91 112.91 116.99 1r84 h THR 55 Ca 0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 1r84 h THR 55 Cb 0.70 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1r84 h THR 55 CO -0.23 0.00 -0.05 0.24 0.37 0.00 0.00 175.52 175.84 1r84 h MET 56 N -0.16 0.19 -0.89 6.66 2.86 -1.13 -2.50 114.93 119.95 1r84 h MET 56 Ca 0.21 -0.09 0.09 0.00 -2.06 0.00 0.00 59.70 57.85 1r84 h MET 56 Cb 0.50 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.08 1r84 h MET 56 CO -0.56 0.57 0.54 1.88 1.06 0.00 0.00 176.91 180.41 1r84 h TYR 57 N -0.20 0.99 -0.03 -0.22 -1.99 -0.73 -2.13 116.97 112.67 1r84 h TYR 57 Ca 0.02 0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.81 1r84 h TYR 57 Cb 0.53 -0.31 -0.05 0.00 2.00 0.00 0.00 36.73 38.89 1r84 h TYR 57 CO 0.08 0.44 -0.28 1.25 -0.00 0.00 0.00 178.16 179.65 1r84 h LEU 58 N 0.93 -0.85 -0.94 3.88 5.85 -1.10 -1.27 115.31 121.80 1r84 h LEU 58 Ca 0.42 0.12 0.17 0.00 0.84 0.00 0.00 57.88 59.42 1r84 h LEU 58 Cb 0.31 0.35 -0.10 0.00 0.37 0.00 0.00 40.66 41.59 1r84 h LEU 58 CO -0.22 -0.35 0.54 0.77 -0.34 0.00 0.00 178.44 178.84 1r84 h SER 59 N -0.41 0.69 0.05 1.25 4.64 -0.93 0.94 113.55 119.78 1r84 h SER 59 Ca 0.07 0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1r84 h SER 59 Cb 0.51 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1r84 h SER 59 CO -0.26 0.26 -0.03 0.24 -0.87 0.00 0.00 176.83 176.17 1r84 h MET 60 N 0.72 -0.07 -0.45 4.77 2.86 -1.19 -0.92 114.93 120.65 1r84 h MET 60 Ca 0.53 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 58.27 1r84 h MET 60 Cb 0.79 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 32.36 1r84 h MET 60 CO -0.37 0.27 -0.25 1.25 1.06 0.00 0.00 176.91 178.86 1r84 h LEU 61 N -0.42 -0.86 0.00 1.22 5.85 -0.48 -1.98 115.31 118.65 1r84 h LEU 61 Ca -0.01 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1r84 h LEU 61 Cb 0.37 0.44 0.00 0.00 0.37 0.00 0.00 40.66 41.84 1r84 h LEU 61 CO 0.01 -0.27 0.00 0.18 -0.34 0.00 0.00 178.44 178.02 1r84 n LEU 62 N -5.41 0.00 0.00 2.25 4.77 0.25 -4.94 117.00 113.93 1r84 n LEU 62 Ca 0.03 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1r84 n LEU 62 Cb 0.32 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1r84 n LEU 62 CO 0.08 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 1r84 n GLY 63 N 0.89 2.83 0.31 -0.72 0.00 -0.62 -4.94 105.19 102.93 1r84 n GLY 63 Ca 0.12 -0.43 0.10 0.00 0.00 0.00 0.00 46.02 45.82 1r84 n GLY 63 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1r84 h TYR 64 N 0.00 0.62 0.00 1.61 3.20 -1.48 -1.14 116.97 119.79 1r84 h TYR 64 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1r84 h TYR 64 Cb 0.00 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.13 1r84 h TYR 64 CO 0.00 0.01 0.00 0.41 -1.64 0.00 0.00 178.16 176.94 1r84 n GLY 65 N -1.34 -0.91 3.85 1.82 0.00 -0.48 -4.74 105.19 103.39 1r84 n GLY 65 Ca 0.20 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1r84 n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r84 s LEU 66 N -1.64 4.39 0.24 0.99 0.20 -0.43 -2.56 118.68 119.87 1r84 s LEU 66 Ca 0.28 0.97 -0.06 0.00 0.69 0.00 0.00 54.13 56.01 1r84 s LEU 66 Cb 0.13 -2.97 -0.02 0.00 -0.43 0.00 0.00 46.19 42.90 1r84 s LEU 66 CO 0.21 0.20 0.31 0.28 -0.29 0.00 0.00 176.35 177.06 1r84 s THR 67 N -1.32 0.00 -0.07 3.68 -1.32 0.34 -4.94 115.64 112.02 1r84 s THR 67 Ca 0.32 -1.73 0.04 0.00 -1.21 0.00 0.00 61.69 59.11 1r84 s THR 67 Cb -0.15 -2.39 -0.02 0.00 -1.51 0.00 0.00 72.50 68.42 1r84 s THR 67 CO 0.17 0.00 -0.17 -0.04 -2.21 0.00 0.00 174.62 172.37 1r84 s MET 68 N -3.98 2.73 -0.06 7.08 -1.94 -1.26 -0.19 119.30 121.68 1r84 s MET 68 Ca 0.32 -0.76 0.02 0.00 -1.71 0.00 0.00 55.69 53.56 1r84 s MET 68 Cb 0.03 -2.37 0.01 0.00 2.01 0.00 0.00 34.83 34.52 1r84 s MET 68 CO 0.12 0.45 -0.11 0.08 -0.01 0.00 0.00 175.02 175.55 1r84 s VAL 69 N -0.29 1.04 -0.32 -6.03 1.01 0.74 -4.90 120.40 111.65 1r84 s VAL 69 Ca 0.01 -0.42 -0.28 0.00 0.00 0.00 0.00 61.98 61.29 1r84 s VAL 69 Cb -0.13 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.30 1r84 s VAL 69 CO 0.03 0.34 1.05 -2.84 0.00 0.00 0.00 175.10 173.67 1r84 s PRO 70 N 0.74 4.04 0.20 2.72 0.02 -1.26 -0.67 135.00 140.78 1r84 s PRO 70 Ca -0.13 1.00 -0.19 0.00 0.02 0.00 0.00 61.00 61.70 1r84 s PRO 70 Cb -0.15 -3.74 0.03 0.00 0.02 0.00 0.00 34.50 30.66 1r84 s PRO 70 CO 0.03 -0.89 0.55 -0.59 -0.33 0.00 0.00 177.00 175.77 1r84 s PHE 71 N 3.60 -0.19 0.00 6.54 -0.12 -1.09 -4.32 117.98 122.40 1r84 s PHE 71 Ca 0.44 -0.14 0.00 0.00 -0.05 0.00 0.00 56.93 57.18 1r84 s PHE 71 Cb -0.12 0.45 0.00 0.00 -0.63 0.00 0.00 43.02 42.72 1r84 s PHE 71 CO 0.16 -0.94 0.00 0.41 -0.05 0.00 0.00 175.22 174.80 1r84 n GLY 72 N -0.36 1.07 0.00 1.99 0.00 -1.26 -2.10 105.19 104.53 1r84 n GLY 72 Ca -0.11 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1r84 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r84 n GLY 73 N 0.00 1.00 0.68 -0.02 0.00 -1.26 -5.04 105.19 100.55 1r84 n GLY 73 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1r84 n GLY 73 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1r84 n GLU 74 N 0.00 0.16 -3.01 1.61 0.28 -0.89 -5.11 120.64 113.67 1r84 n GLU 74 Ca 0.00 -0.52 -0.44 0.00 -0.16 0.00 0.00 57.16 56.04 1r84 n GLU 74 Cb 0.16 0.53 -0.03 0.00 1.43 0.00 0.00 31.44 33.53 1r84 n GLU 74 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 1r84 s GLN 75 N -2.12 3.40 -0.24 3.44 -2.07 -1.26 -2.66 119.66 118.14 1r84 s GLN 75 Ca 0.05 -1.61 -0.20 0.00 -1.82 0.00 0.00 55.36 51.78 1r84 s GLN 75 Cb -0.00 -4.59 -0.02 0.00 -1.09 0.00 0.00 33.01 27.30 1r84 s GLN 75 CO 0.04 -1.66 0.63 -0.80 -1.32 0.00 0.00 175.29 172.17 1r84 s ASN 76 N 3.44 6.60 0.23 12.60 0.01 0.15 -4.78 114.94 133.19 1r84 s ASN 76 Ca 0.24 0.74 -0.31 0.00 -0.71 0.00 0.00 52.86 52.82 1r84 s ASN 76 Cb -0.12 -2.34 -0.11 0.00 0.41 0.00 0.00 41.25 39.09 1r84 s ASN 76 CO -0.03 -0.35 1.63 -2.84 -1.51 0.00 0.00 177.10 174.01 1r84 s PRO 77 N 2.37 4.15 -0.03 -0.60 0.02 -1.26 -0.19 135.00 139.47 1r84 s PRO 77 Ca 0.27 2.53 -0.01 0.00 0.02 0.00 0.00 61.00 63.81 1r84 s PRO 77 Cb -0.16 -3.08 0.03 0.00 0.02 0.00 0.00 34.50 31.32 1r84 s PRO 77 CO 0.09 -0.66 0.04 0.42 -0.33 0.00 0.00 177.00 176.56 1r84 s ILE 78 N 0.73 -0.08 -1.03 2.83 -1.09 0.74 -4.86 121.20 118.44 1r84 s ILE 78 Ca 0.69 0.30 -0.14 0.00 -2.23 0.00 0.00 60.65 59.26 1r84 s ILE 78 Cb -0.47 -0.11 0.19 0.00 -1.58 0.00 0.00 42.46 40.49 1r84 s ILE 78 CO 0.37 0.12 1.15 -0.31 -1.23 0.00 0.00 174.94 175.05 1r84 s TYR 79 N 1.48 3.59 0.55 3.97 2.02 -1.26 -0.50 117.35 127.19 1r84 s TYR 79 Ca -0.04 -1.99 0.22 0.00 -0.37 0.00 0.00 57.07 54.89 1r84 s TYR 79 Cb -0.13 -4.12 1.47 0.00 -0.40 0.00 0.00 41.96 38.79 1r84 s TYR 79 CO -0.03 -1.26 2.17 0.11 -1.57 0.00 0.00 175.55 174.97 1r84 h TRP 80 N 7.69 0.00 -0.81 2.71 5.08 -1.86 -3.00 115.95 125.76 1r84 h TRP 80 Ca 0.20 0.00 0.15 0.00 1.08 0.00 0.00 58.89 60.32 1r84 h TRP 80 Cb 0.95 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 27.05 1r84 h TRP 80 CO 1.04 0.00 0.53 0.00 -1.28 0.00 0.00 178.44 178.74 1r84 h ALA 81 N 1.97 2.00 0.00 0.11 0.00 -1.86 -0.17 119.26 121.31 1r84 h ALA 81 Ca 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1r84 h ALA 81 Cb 0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1r84 h ALA 81 CO -0.00 -0.22 -0.11 0.07 0.00 0.00 0.00 179.25 178.99 1r84 h ARG 82 N 0.52 0.00 -0.00 0.00 0.11 -1.83 -0.97 114.38 112.21 1r84 h ARG 82 Ca 0.40 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.29 1r84 h ARG 82 Cb 0.80 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.89 1r84 h ARG 82 CO -0.15 0.11 -0.74 1.88 0.10 0.00 0.00 179.97 181.17 1r84 h TYR 83 N 0.00 0.75 -0.60 4.08 -1.99 -1.23 -1.20 116.97 116.77 1r84 h TYR 83 Ca -0.00 -0.41 0.12 0.00 2.00 0.00 0.00 58.73 60.45 1r84 h TYR 83 Cb 0.33 -0.09 -0.10 0.00 2.00 0.00 0.00 36.73 38.88 1r84 h TYR 83 CO 0.00 1.23 0.03 0.00 -0.00 0.00 0.00 178.16 179.42 1r84 h ALA 84 N 0.34 0.62 -0.33 3.88 0.00 -1.18 -0.56 119.26 122.04 1r84 h ALA 84 Ca -0.09 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1r84 h ALA 84 Cb 1.43 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1r84 h ALA 84 CO 0.15 -0.38 0.00 -3.47 0.00 0.00 0.00 179.25 175.55 1r84 n ASP 85 N -5.24 0.00 -0.05 0.00 -0.08 -0.39 -3.74 116.55 107.04 1r84 n ASP 85 Ca 0.09 0.95 0.13 0.00 -1.51 0.00 0.00 54.79 54.45 1r84 n ASP 85 Cb 0.34 -0.45 0.55 0.00 2.34 0.00 0.00 41.12 43.90 1r84 n ASP 85 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1r84 h TRP 86 N 0.00 0.32 -1.00 -0.67 6.55 -1.05 -0.78 115.95 119.32 1r84 h TRP 86 Ca 0.00 0.01 0.20 0.00 0.95 0.00 0.00 58.89 60.05 1r84 h TRP 86 Cb 0.00 -0.11 -0.11 0.00 -0.86 0.00 0.00 29.16 28.09 1r84 h TRP 86 CO -0.19 0.15 0.61 1.25 -1.05 0.00 0.00 178.44 179.21 1r84 h LEU 87 N 0.30 0.76 0.00 -4.49 5.85 -1.19 -2.39 115.31 114.15 1r84 h LEU 87 Ca 0.26 0.10 -0.27 0.00 0.84 0.00 0.00 57.88 58.81 1r84 h LEU 87 Cb 0.61 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 1r84 h LEU 87 CO -0.06 0.25 -1.99 0.49 -0.34 0.00 0.00 178.44 176.79 1r84 n PHE 88 N -4.77 0.00 -0.33 1.25 3.72 -0.71 -4.53 117.46 112.09 1r84 n PHE 88 Ca 0.24 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.62 1r84 n PHE 88 Cb 0.60 -0.66 0.11 0.00 -0.94 0.00 0.00 39.48 38.59 1r84 n PHE 88 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1r84 h THR 89 N -0.09 1.19 -0.12 4.37 1.35 -1.22 -3.08 112.91 115.30 1r84 h THR 89 Ca -0.40 -0.40 -0.03 0.00 -0.55 0.00 0.00 66.41 65.02 1r84 h THR 89 Cb 1.57 -0.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1r84 h THR 89 CO -0.09 0.21 -0.06 0.74 -0.25 0.00 0.00 175.52 176.07 1r84 h THR 90 N 1.18 1.32 -0.90 6.82 2.02 -1.66 -2.14 112.91 119.55 1r84 h THR 90 Ca 0.35 -1.10 0.12 0.00 0.77 0.00 0.00 66.41 66.55 1r84 h THR 90 Cb -0.07 1.80 -0.08 0.00 -1.74 0.00 0.00 68.15 68.06 1r84 h THR 90 CO -0.10 0.32 0.53 -0.65 0.37 0.00 0.00 175.52 175.99 1r84 h PRO 91 N -0.10 0.79 -0.23 6.66 0.11 -1.78 -2.17 132.00 135.28 1r84 h PRO 91 Ca 0.03 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1r84 h PRO 91 Cb 0.53 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1r84 h PRO 91 CO 0.02 0.52 0.15 -0.07 -0.21 0.00 0.00 178.00 178.41 1r84 h LEU 92 N 0.82 0.27 -0.50 2.35 3.38 -1.44 0.67 115.31 120.86 1r84 h LEU 92 Ca 0.46 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.51 1r84 h LEU 92 Cb 0.51 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.10 1r84 h LEU 92 CO -0.29 0.21 -0.09 0.25 0.09 0.00 0.00 178.44 178.61 1r84 h LEU 93 N 0.30 -0.40 -0.37 1.67 6.46 -1.18 -0.41 115.31 121.39 1r84 h LEU 93 Ca 0.08 0.14 0.05 0.00 -0.12 0.00 0.00 57.88 58.03 1r84 h LEU 93 Cb -0.02 0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 40.15 1r84 h LEU 93 CO -0.02 -0.14 0.10 -0.07 -0.62 0.00 0.00 178.44 177.69 1r84 h LEU 94 N 0.03 0.08 -1.18 2.25 4.07 -1.13 -2.95 115.31 116.48 1r84 h LEU 94 Ca 0.24 0.05 0.03 0.00 0.08 0.00 0.00 57.88 58.29 1r84 h LEU 94 Cb 0.37 0.05 -0.05 0.00 1.08 0.00 0.00 40.66 42.12 1r84 h LEU 94 CO -0.49 0.08 0.56 0.25 -1.08 0.00 0.00 178.44 177.76 1r84 h LEU 95 N 0.24 0.92 -0.13 1.67 5.85 0.15 0.69 115.31 124.69 1r84 h LEU 95 Ca 0.17 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.93 1r84 h LEU 95 Cb 0.17 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 1r84 h LEU 95 CO -0.20 0.63 -0.27 0.44 -0.34 0.00 0.00 178.44 178.70 1r84 h ASP 96 N 1.07 -0.84 -0.48 1.25 3.45 -0.95 -0.39 116.42 119.53 1r84 h ASP 96 Ca 0.34 0.13 -0.08 0.00 0.43 0.00 0.00 57.03 57.85 1r84 h ASP 96 Cb 0.02 0.37 -0.02 0.00 -0.56 0.00 0.00 39.33 39.14 1r84 h ASP 96 CO -0.10 -0.32 -0.02 -0.07 -1.57 0.00 0.00 179.24 177.17 1r84 h LEU 97 N -0.34 0.84 0.09 1.55 4.07 -1.26 -0.86 115.31 119.40 1r84 h LEU 97 Ca 0.10 -0.31 0.02 0.00 0.08 0.00 0.00 57.88 57.77 1r84 h LEU 97 Cb 0.49 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.97 1r84 h LEU 97 CO -0.33 0.95 -0.28 0.00 -1.08 0.00 0.00 178.44 177.70 1r84 h ALA 98 N 0.92 -0.46 -0.91 1.53 0.00 -0.81 -1.62 119.26 117.90 1r84 h ALA 98 Ca 0.13 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1r84 h ALA 98 Cb 0.53 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 1r84 h ALA 98 CO 0.03 -0.81 0.57 -0.07 0.00 0.00 0.00 179.25 178.97 1r84 h LEU 99 N -0.48 0.91 -0.89 0.00 4.07 -1.00 -0.27 115.31 117.65 1r84 h LEU 99 Ca 0.04 0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.96 1r84 h LEU 99 Cb 0.52 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 1r84 h LEU 99 CO -0.18 0.58 0.20 0.25 -1.08 0.00 0.00 178.44 178.20 1r84 h LEU 100 N 1.05 0.95 -1.51 1.67 5.85 -0.84 -2.88 115.31 119.60 1r84 h LEU 100 Ca 0.39 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1r84 h LEU 100 Cb 0.16 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1r84 h LEU 100 CO -0.17 0.89 0.00 0.52 -0.34 0.00 0.00 178.44 179.34 1r84 n VAL 101 N -4.26 0.10 -3.87 1.05 0.31 -0.64 -4.92 118.33 106.11 1r84 n VAL 101 Ca 0.05 -0.42 -0.28 0.00 -0.01 0.00 0.00 64.34 63.68 1r84 n VAL 101 Cb 0.22 0.89 0.00 0.00 -0.91 0.00 0.00 33.84 34.05 1r84 n VAL 101 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1r84 n ASP 102 N 0.79 -2.03 -4.78 4.52 2.03 -0.31 -4.76 116.55 112.02 1r84 n ASP 102 Ca 0.17 -1.02 -0.37 0.00 0.52 0.00 0.00 54.79 54.09 1r84 n ASP 102 Cb 0.47 -3.13 -0.02 0.00 -0.72 0.00 0.00 41.12 37.72 1r84 n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r84 s ALA 103 N -3.78 3.05 0.28 -1.67 0.00 -0.27 -4.98 121.76 114.39 1r84 s ALA 103 Ca 0.17 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 52.66 1r84 s ALA 103 Cb -0.06 -3.33 -0.13 0.00 0.00 0.00 0.00 23.12 19.60 1r84 s ALA 103 CO 0.88 -0.44 1.45 -0.25 0.00 0.00 0.00 175.76 177.40 1r84 n ASP 104 N -0.23 3.12 -0.34 0.00 9.92 -1.26 -4.79 116.55 122.97 1r84 n ASP 104 Ca 0.06 1.16 0.28 0.00 -0.53 0.00 0.00 54.79 55.75 1r84 n ASP 104 Cb 0.49 -1.49 0.53 0.00 -0.64 0.00 0.00 41.12 40.00 1r84 n ASP 104 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1r84 h GLN 105 N 4.05 0.19 -0.25 -1.24 4.20 -1.99 0.33 115.11 120.39 1r84 h GLN 105 Ca -0.46 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.28 1r84 h GLN 105 Cb 1.26 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.93 1r84 h GLN 105 CO 0.74 0.12 -0.54 0.78 -0.67 0.00 0.00 178.83 179.26 1r84 h GLY 106 N 0.19 -1.07 0.94 3.46 0.00 -2.00 -1.70 103.07 102.89 1r84 h GLY 106 Ca 0.78 0.70 -0.01 0.00 0.00 0.00 0.00 47.33 48.80 1r84 h GLY 106 CO -0.65 -0.17 0.15 -0.91 0.00 0.00 0.00 176.54 174.96 1r84 h THR 107 N -0.49 1.14 -0.45 4.70 1.35 -1.31 -2.19 112.91 115.65 1r84 h THR 107 Ca 0.05 -0.39 0.09 0.00 -0.55 0.00 0.00 66.41 65.61 1r84 h THR 107 Cb 0.63 0.88 -0.10 0.00 -1.73 0.00 0.00 68.15 67.83 1r84 h THR 107 CO -0.50 0.14 -0.26 0.40 -0.25 0.00 0.00 175.52 175.05 1r84 h ILE 108 N 0.34 0.30 0.12 6.82 2.04 -1.31 0.18 117.51 125.99 1r84 h ILE 108 Ca 0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 1r84 h ILE 108 Cb 0.09 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1r84 h ILE 108 CO -0.01 0.00 -0.06 0.25 0.00 0.00 0.00 178.15 178.33 1r84 h LEU 109 N -0.17 -0.13 -0.78 1.44 5.85 -1.26 0.20 115.31 120.46 1r84 h LEU 109 Ca 0.21 -0.11 0.17 0.00 0.84 0.00 0.00 57.88 58.99 1r84 h LEU 109 Cb 0.50 0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.45 1r84 h LEU 109 CO -0.55 0.03 0.24 0.00 -0.34 0.00 0.00 178.44 177.82 1r84 h ALA 110 N 0.58 1.08 0.97 1.25 0.00 -0.87 0.17 119.26 122.43 1r84 h ALA 110 Ca -0.02 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1r84 h ALA 110 Cb 0.23 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1r84 h ALA 110 CO 0.03 -0.32 -0.48 1.25 0.00 0.00 0.00 179.25 179.72 1r84 h LEU 111 N 0.32 -1.16 -0.34 0.00 5.85 -0.41 -1.20 115.31 118.37 1r84 h LEU 111 Ca 0.45 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 59.21 1r84 h LEU 111 Cb 0.78 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1r84 h LEU 111 CO -0.50 -0.81 0.20 0.58 -0.34 0.00 0.00 178.44 177.57 1r84 h VAL 112 N -1.32 1.12 -0.14 1.05 2.07 -0.71 -0.42 116.25 117.90 1r84 h VAL 112 Ca -0.13 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.13 1r84 h VAL 112 Cb 1.02 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1r84 h VAL 112 CO 0.21 0.12 -0.06 1.23 0.02 0.00 0.00 177.57 179.09 1r84 h GLY 113 N 0.44 0.08 0.47 2.17 0.00 -1.04 -0.14 103.07 105.04 1r84 h GLY 113 Ca 0.12 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.60 1r84 h GLY 113 CO -0.02 -0.08 0.16 0.00 0.00 0.00 0.00 176.54 176.60 1r84 h ALA 114 N 1.10 0.61 -0.62 3.60 0.00 -1.04 -1.85 119.26 121.06 1r84 h ALA 114 Ca 0.08 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1r84 h ALA 114 Cb 0.15 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1r84 h ALA 114 CO -0.17 -0.24 0.38 0.22 0.00 0.00 0.00 179.25 179.44 1r84 h ASP 115 N 0.33 0.62 -0.68 0.00 1.82 -0.78 -0.81 116.42 116.91 1r84 h ASP 115 Ca 0.25 0.00 0.10 0.00 -0.39 0.00 0.00 57.03 56.99 1r84 h ASP 115 Cb 0.29 -0.13 -0.12 0.00 0.68 0.00 0.00 39.33 40.05 1r84 h ASP 115 CO -0.27 0.43 -0.43 1.23 -1.61 0.00 0.00 179.24 178.59 1r84 h GLY 116 N 0.75 -0.38 0.68 -0.78 0.00 -0.52 -1.62 103.07 101.21 1r84 h GLY 116 Ca 0.25 0.57 0.02 0.00 0.00 0.00 0.00 47.33 48.17 1r84 h GLY 116 CO -0.10 -0.15 -0.10 -2.22 0.00 0.00 0.00 176.54 173.97 1r84 h ILE 117 N -0.17 0.74 0.07 2.60 2.04 -0.84 -0.49 117.51 121.46 1r84 h ILE 117 Ca 0.21 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.09 1r84 h ILE 117 Cb 0.55 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1r84 h ILE 117 CO -0.76 0.00 -0.43 -0.03 0.00 0.00 0.00 178.15 176.94 1r84 h MET 118 N -0.14 -0.61 -0.36 2.37 4.05 -0.59 0.14 114.93 119.78 1r84 h MET 118 Ca 0.06 0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.45 1r84 h MET 118 Cb 0.22 0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1r84 h MET 118 CO -0.14 -0.41 -0.03 0.82 0.23 0.00 0.00 176.91 177.39 1r84 h ILE 119 N -0.63 1.27 0.40 1.77 1.08 -1.35 -1.52 117.51 118.52 1r84 h ILE 119 Ca 0.03 -1.04 -0.01 0.00 -0.39 0.00 0.00 64.86 63.45 1r84 h ILE 119 Cb 0.68 1.21 -0.03 0.00 -3.07 0.00 0.00 36.82 35.61 1r84 h ILE 119 CO -0.27 0.35 -0.52 1.23 -0.69 0.00 0.00 178.15 178.24 1r84 h GLY 120 N 0.47 -1.24 1.34 5.37 0.00 -0.86 -0.10 103.07 108.05 1r84 h GLY 120 Ca 0.10 0.61 0.02 0.00 0.00 0.00 0.00 47.33 48.06 1r84 h GLY 120 CO 0.02 -0.34 0.41 -0.91 0.00 0.00 0.00 176.54 175.72 1r84 h THR 121 N -0.95 1.12 -0.40 4.70 1.35 -0.81 -1.26 112.91 116.66 1r84 h THR 121 Ca -0.05 -0.27 0.06 0.00 -0.55 0.00 0.00 66.41 65.60 1r84 h THR 121 Cb 0.85 0.27 -0.08 0.00 -1.73 0.00 0.00 68.15 67.46 1r84 h THR 121 CO -0.13 0.14 -0.52 1.23 -0.25 0.00 0.00 175.52 176.00 1r84 h GLY 122 N 0.78 -0.86 0.76 5.82 0.00 -0.89 0.07 103.07 108.75 1r84 h GLY 122 Ca 0.24 0.66 0.04 0.00 0.00 0.00 0.00 47.33 48.27 1r84 h GLY 122 CO -0.06 -0.14 0.22 -2.00 0.00 0.00 0.00 176.54 174.56 1r84 h LEU 123 N -0.38 0.32 -0.30 3.11 5.85 -0.27 0.59 115.31 124.23 1r84 h LEU 123 Ca 0.09 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.90 1r84 h LEU 123 Cb 0.60 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 1r84 h LEU 123 CO -0.59 0.23 -0.12 0.58 -0.34 0.00 0.00 178.44 178.20 1r84 h VAL 124 N 0.45 0.61 0.05 1.05 2.07 -1.08 -1.71 116.25 117.68 1r84 h VAL 124 Ca 0.20 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.73 1r84 h VAL 124 Cb 0.11 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 1r84 h VAL 124 CO -0.14 0.00 -0.49 1.23 0.02 0.00 0.00 177.57 178.19 1r84 h GLY 125 N -0.06 -1.16 -0.58 2.17 0.00 -0.43 -0.17 103.07 102.84 1r84 h GLY 125 Ca 0.15 0.65 0.31 0.00 0.00 0.00 0.00 47.33 48.45 1r84 h GLY 125 CO -0.34 -0.27 0.48 0.00 0.00 0.00 0.00 176.54 176.41 1r84 h ALA 126 N -0.57 1.82 -0.01 3.60 0.00 -0.64 -2.02 119.26 121.44 1r84 h ALA 126 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1r84 h ALA 126 Cb 0.68 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1r84 h ALA 126 CO -0.30 -0.59 -0.66 1.28 0.00 0.00 0.00 179.25 178.97 1r84 n LEU 127 N -5.12 1.64 -4.64 0.00 4.77 -0.67 -4.95 117.00 108.04 1r84 n LEU 127 Ca 0.30 -0.66 -0.43 0.00 -0.03 0.00 0.00 56.01 55.19 1r84 n LEU 127 Cb 0.95 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.02 1r84 n LEU 127 CO 0.07 0.33 1.33 -0.89 -1.33 0.00 0.00 177.39 176.91 1r84 s THR 128 N -2.64 3.74 0.14 -5.08 2.01 -0.09 -4.90 115.64 108.81 1r84 s THR 128 Ca 0.14 0.86 -0.19 0.00 0.31 0.00 0.00 61.69 62.82 1r84 s THR 128 Cb 0.17 -3.69 -0.00 0.00 0.01 0.00 0.00 72.50 69.00 1r84 s THR 128 CO 0.67 -0.22 1.71 0.11 -0.69 0.00 0.00 174.62 176.20 1r84 h LYS 129 N 10.13 0.04 -6.20 4.92 6.56 -1.89 -3.41 116.57 126.72 1r84 h LYS 129 Ca -0.34 -0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 58.70 1r84 h LYS 129 Cb 1.15 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.77 1r84 h LYS 129 CO 0.99 0.03 1.27 0.08 -2.06 0.00 0.00 179.45 179.76 1r84 s VAL 130 N -6.20 3.50 0.13 0.50 1.01 -1.26 -4.24 120.40 113.83 1r84 s VAL 130 Ca -0.13 0.45 -0.33 0.00 0.00 0.00 0.00 61.98 61.97 1r84 s VAL 130 Cb 0.11 -3.83 -0.10 0.00 0.00 0.00 0.00 36.38 32.56 1r84 s VAL 130 CO 0.69 -0.64 1.55 0.22 0.00 0.00 0.00 175.10 176.93 1r84 h TYR 131 N 13.30 -1.62 -0.93 5.22 3.20 -1.92 -2.18 116.97 132.03 1r84 h TYR 131 Ca -0.30 0.07 0.26 0.00 3.14 0.00 0.00 58.73 61.90 1r84 h TYR 131 Cb 1.16 0.75 -0.14 0.00 1.54 0.00 0.00 36.73 40.04 1r84 h TYR 131 CO 0.99 -0.51 0.42 0.77 -1.64 0.00 0.00 178.16 178.20 1r84 h SER 132 N -0.45 0.33 0.78 -2.11 0.02 -1.95 -1.08 113.55 109.09 1r84 h SER 132 Ca 0.07 0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 1r84 h SER 132 Cb 0.62 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 1r84 h SER 132 CO -0.54 -0.07 -0.23 1.88 -1.14 0.00 0.00 176.83 176.73 1r84 h TYR 133 N 0.35 0.00 -0.89 3.45 0.05 -1.78 -3.14 116.97 115.01 1r84 h TYR 133 Ca 0.62 0.00 0.12 0.00 0.05 0.00 0.00 58.73 59.52 1r84 h TYR 133 Cb 1.27 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.92 1r84 h TYR 133 CO -0.12 0.23 0.51 0.00 -1.05 0.00 0.00 178.16 177.74 1r84 h ARG 134 N 0.00 0.78 -0.06 4.88 3.08 -1.15 -1.79 114.38 120.11 1r84 h ARG 134 Ca -0.00 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 1r84 h ARG 134 Cb 0.69 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1r84 h ARG 134 CO 0.03 0.51 -0.47 0.74 -1.07 0.00 0.00 179.97 179.71 1r84 h PHE 135 N 0.80 0.18 -0.10 3.04 0.04 -1.69 -0.91 116.94 118.30 1r84 h PHE 135 Ca 0.45 -0.05 0.04 0.00 2.80 0.00 0.00 57.97 61.20 1r84 h PHE 135 Cb 0.51 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.58 1r84 h PHE 135 CO -0.05 0.60 -0.14 0.28 -0.60 0.00 0.00 178.31 178.40 1r84 h VAL 136 N 0.12 0.62 -0.64 -0.55 2.07 -1.43 -0.51 116.25 115.94 1r84 h VAL 136 Ca 0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1r84 h VAL 136 Cb 0.88 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1r84 h VAL 136 CO 0.07 0.00 0.33 -0.50 0.02 0.00 0.00 177.57 177.49 1r84 h TRP 137 N -0.19 0.90 -0.40 1.57 4.06 -1.24 -2.52 115.95 118.13 1r84 h TRP 137 Ca 0.08 -0.03 0.07 0.00 2.06 0.00 0.00 58.89 61.07 1r84 h TRP 137 Cb 0.31 -0.28 -0.06 0.00 -1.00 0.00 0.00 29.16 28.12 1r84 h TRP 137 CO -0.25 0.66 0.00 2.35 -3.56 0.00 0.00 178.44 177.64 1r84 h TRP 138 N 0.87 -0.02 -0.04 0.49 7.01 -0.96 -0.50 115.95 122.81 1r84 h TRP 138 Ca 0.22 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.27 1r84 h TRP 138 Cb 0.07 0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.18 1r84 h TRP 138 CO -0.00 -0.08 -0.09 0.00 -2.79 0.00 0.00 178.44 175.48 1r84 h ALA 139 N 1.35 -0.07 0.22 2.65 0.00 -0.92 0.41 119.26 122.89 1r84 h ALA 139 Ca 0.19 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1r84 h ALA 139 Cb 0.27 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1r84 h ALA 139 CO -0.32 -0.57 -0.28 0.82 0.00 0.00 0.00 179.25 178.89 1r84 h ILE 140 N -0.14 0.40 -0.94 0.00 2.04 -1.28 -0.05 117.51 117.54 1r84 h ILE 140 Ca 0.05 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.97 1r84 h ILE 140 Cb 0.21 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 36.63 1r84 h ILE 140 CO -0.12 0.00 0.59 0.77 0.00 0.00 0.00 178.15 179.39 1r84 h SER 141 N -0.56 0.94 -0.46 1.72 4.64 -1.03 -1.39 113.55 117.42 1r84 h SER 141 Ca 0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1r84 h SER 141 Cb 0.54 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 1r84 h SER 141 CO -0.10 0.60 0.24 0.74 -0.87 0.00 0.00 176.83 177.44 1r84 h THR 142 N 1.08 1.17 -0.36 2.95 2.02 -0.63 -0.20 112.91 118.93 1r84 h THR 142 Ca 0.41 -0.46 0.04 0.00 0.77 0.00 0.00 66.41 67.17 1r84 h THR 142 Cb 0.17 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 1r84 h THR 142 CO -0.17 0.19 0.13 0.00 0.37 0.00 0.00 175.52 176.03 1r84 h ALA 143 N 1.08 0.42 -0.57 6.16 0.00 -0.62 0.32 119.26 126.05 1r84 h ALA 143 Ca 0.16 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1r84 h ALA 143 Cb 0.08 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1r84 h ALA 143 CO -0.02 -0.27 0.32 0.00 0.00 0.00 0.00 179.25 179.28 1r84 h ALA 144 N 1.23 0.74 -0.09 0.00 0.00 -1.04 -0.83 119.26 119.27 1r84 h ALA 144 Ca 0.16 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1r84 h ALA 144 Cb 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1r84 h ALA 144 CO -0.17 -0.00 -0.08 1.98 0.00 0.00 0.00 179.25 180.98 1r84 h MET 145 N 0.61 -0.10 -0.54 0.00 -1.53 -0.71 -2.28 114.93 110.39 1r84 h MET 145 Ca 0.25 0.01 0.06 0.00 -3.44 0.00 0.00 59.70 56.58 1r84 h MET 145 Cb 0.11 0.02 -0.05 0.00 -0.55 0.00 0.00 31.60 31.13 1r84 h MET 145 CO -0.15 -0.06 0.24 1.25 0.14 0.00 0.00 176.91 178.33 1r84 h LEU 146 N -0.10 0.30 0.04 3.39 5.85 -0.66 -0.88 115.31 123.25 1r84 h LEU 146 Ca 0.06 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1r84 h LEU 146 Cb 0.19 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1r84 h LEU 146 CO -0.15 0.20 -0.24 0.22 -0.34 0.00 0.00 178.44 178.13 1r84 h TYR 147 N 0.46 -0.65 0.05 1.25 3.20 -1.07 -0.62 116.97 119.60 1r84 h TYR 147 Ca 0.25 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.17 1r84 h TYR 147 Cb 0.23 0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 1r84 h TYR 147 CO -0.13 -0.34 -0.28 0.82 -1.64 0.00 0.00 178.16 176.59 1r84 h ILE 148 N -0.40 0.37 -0.27 1.81 2.04 -1.03 -2.32 117.51 117.72 1r84 h ILE 148 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1r84 h ILE 148 Cb 0.46 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1r84 h ILE 148 CO -0.19 0.00 0.18 0.17 0.00 0.00 0.00 178.15 178.31 1r84 h LEU 149 N -0.46 0.31 0.58 1.44 8.10 -1.12 -1.35 115.31 122.81 1r84 h LEU 149 Ca 0.05 -0.01 -0.02 0.00 0.11 0.00 0.00 57.88 58.01 1r84 h LEU 149 Cb 0.52 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 40.65 1r84 h LEU 149 CO -0.21 0.23 -0.42 0.22 -4.11 0.00 0.00 178.44 174.15 1r84 h TYR 150 N 0.37 -1.12 -0.89 0.17 5.03 -0.58 0.56 116.97 120.52 1r84 h TYR 150 Ca 0.10 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.41 1r84 h TYR 150 Cb -0.04 0.41 -0.04 0.00 1.55 0.00 0.00 36.73 38.61 1r84 h TYR 150 CO 0.00 -0.61 0.57 -0.24 -1.32 0.00 0.00 178.16 176.56 1r84 h VAL 151 N -0.96 1.24 -0.21 1.81 3.04 -1.17 0.16 116.25 120.16 1r84 h VAL 151 Ca -0.07 -0.48 0.03 0.00 -1.01 0.00 0.00 66.70 65.18 1r84 h VAL 151 Cb 0.80 -0.05 -0.03 0.00 -2.01 0.00 0.00 31.29 30.00 1r84 h VAL 151 CO 0.03 0.24 0.00 -0.07 -1.01 0.00 0.00 177.57 176.76 1r84 h LEU 152 N 1.22 -0.08 0.00 3.16 3.38 -1.19 0.27 115.31 122.08 1r84 h LEU 152 Ca 0.32 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1r84 h LEU 152 Cb -0.10 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1r84 h LEU 152 CO -0.07 -0.01 0.00 0.33 0.09 0.00 0.00 178.44 178.78 1r84 n PHE 153 N -5.14 0.00 0.23 1.13 7.35 0.18 -3.11 117.46 118.11 1r84 n PHE 153 Ca -0.02 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.79 1r84 n PHE 153 Cb 0.11 -0.49 0.43 0.00 0.35 0.00 0.00 39.48 39.88 1r84 n PHE 153 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1r84 h PHE 154 N 0.00 0.00 0.00 -5.13 0.04 -0.87 -3.23 116.94 107.75 1r84 h PHE 154 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1r84 h PHE 154 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1r84 h PHE 154 CO 0.03 0.13 0.00 0.41 -0.60 0.00 0.00 178.31 178.28 1r84 n GLY 155 N 0.43 0.79 0.40 -1.45 0.00 -0.68 -4.58 105.19 100.09 1r84 n GLY 155 Ca 0.01 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.23 1r84 n GLY 155 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1r84 h PHE 156 N 0.00 0.28 0.00 1.61 -1.00 -0.43 -1.69 116.94 115.71 1r84 h PHE 156 Ca 0.00 0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.82 1r84 h PHE 156 Cb 0.00 -0.09 -0.05 0.00 3.61 0.00 0.00 35.95 39.42 1r84 h PHE 156 CO 0.00 0.10 -0.38 1.15 -1.61 0.00 0.00 178.31 177.57 1r84 h THR 157 N 0.23 0.21 -0.28 -1.55 2.02 -1.57 0.59 112.91 112.57 1r84 h THR 157 Ca 0.36 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.60 1r84 h THR 157 Cb 1.07 0.21 -0.06 0.00 -1.74 0.00 0.00 68.15 67.63 1r84 h THR 157 CO -0.08 0.00 -0.11 0.77 0.37 0.00 0.00 175.52 176.48 1r84 h SER 158 N -0.53 -0.37 -0.49 4.18 4.64 -1.55 0.14 113.55 119.57 1r84 h SER 158 Ca 0.05 0.10 0.04 0.00 -0.47 0.00 0.00 61.79 61.52 1r84 h SER 158 Cb 0.62 0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.88 1r84 h SER 158 CO -0.30 -0.14 0.24 0.50 -0.87 0.00 0.00 176.83 176.27 1r84 h LYS 159 N -0.05 0.46 -0.37 4.77 3.64 -1.60 -2.84 116.57 120.57 1r84 h LYS 159 Ca 0.14 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1r84 h LYS 159 Cb 0.27 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1r84 h LYS 159 CO -0.32 0.30 0.14 0.00 -2.27 0.00 0.00 179.45 177.30 1r84 h ALA 160 N 1.27 0.44 0.00 5.00 0.00 0.12 -2.60 119.26 123.49 1r84 h ALA 160 Ca 0.22 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1r84 h ALA 160 Cb 0.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1r84 h ALA 160 CO -0.16 -0.25 0.10 0.39 0.00 0.00 0.00 179.25 179.33 1r84 n GLU 161 N -5.01 0.03 -0.16 0.00 1.02 0.39 -1.67 120.64 115.24 1r84 n GLU 161 Ca 0.02 0.47 0.08 0.00 -0.02 0.00 0.00 57.16 57.70 1r84 n GLU 161 Cb 0.13 -1.71 0.16 0.00 -0.02 0.00 0.00 31.44 30.01 1r84 n GLU 161 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1r84 n SER 162 N -1.62 2.95 0.00 1.62 7.64 -0.98 -4.90 113.62 118.33 1r84 n SER 162 Ca -0.00 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 58.00 1r84 n SER 162 Cb 0.11 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 1r84 n SER 162 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1r84 n MET 163 N 0.90 0.00 -4.05 1.43 2.81 -0.67 -5.09 117.12 112.46 1r84 n MET 163 Ca 0.14 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.93 1r84 n MET 163 Cb 0.46 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.86 1r84 n MET 163 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1r84 s ARG 164 N 0.16 0.49 0.21 0.03 0.52 -1.26 -5.04 118.95 114.06 1r84 s ARG 164 Ca 0.00 -0.89 -0.10 0.00 -0.52 0.00 0.00 55.73 54.23 1r84 s ARG 164 Cb 0.00 0.03 0.29 0.00 0.52 0.00 0.00 34.95 35.79 1r84 s ARG 164 CO 0.00 -0.04 1.72 -1.00 0.02 0.00 0.00 175.30 176.00 1r84 h PRO 165 N 4.02 0.32 -0.61 3.54 0.13 -1.95 -0.90 132.00 136.55 1r84 h PRO 165 Ca -0.34 -0.02 0.10 0.00 -0.87 0.00 0.00 66.00 64.88 1r84 h PRO 165 Cb 1.18 -0.07 -0.08 0.00 0.13 0.00 0.00 31.00 32.16 1r84 h PRO 165 CO 0.50 0.21 0.20 0.93 -0.23 0.00 0.00 178.00 179.61 1r84 h GLU 166 N 0.33 0.34 0.17 0.86 5.08 -1.97 -0.03 114.58 119.36 1r84 h GLU 166 Ca 0.31 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1r84 h GLU 166 Cb 0.43 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1r84 h GLU 166 CO -0.35 0.23 -0.08 0.28 -1.00 0.00 0.00 179.01 178.08 1r84 h VAL 167 N 0.35 0.95 -0.49 3.13 2.07 -1.61 -0.28 116.25 120.38 1r84 h VAL 167 Ca 0.31 -0.89 0.07 0.00 0.82 0.00 0.00 66.70 67.01 1r84 h VAL 167 Cb 0.42 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.60 1r84 h VAL 167 CO -0.34 0.20 0.16 0.00 0.02 0.00 0.00 177.57 177.61 1r84 h ALA 168 N 0.01 0.59 0.64 1.67 0.00 -1.12 0.67 119.26 121.73 1r84 h ALA 168 Ca -0.02 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1r84 h ALA 168 Cb 0.49 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1r84 h ALA 168 CO 0.04 -0.23 -0.31 0.66 0.00 0.00 0.00 179.25 179.41 1r84 h SER 169 N 0.33 -0.73 0.14 0.00 4.64 -1.04 -2.29 113.55 114.60 1r84 h SER 169 Ca 0.24 0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.59 1r84 h SER 169 Cb 0.26 0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 1r84 h SER 169 CO -0.25 -0.52 -0.19 0.74 -0.87 0.00 0.00 176.83 175.74 1r84 h THR 170 N -0.86 0.58 -0.54 2.95 2.02 -0.83 -2.32 112.91 113.91 1r84 h THR 170 Ca -0.09 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.20 1r84 h THR 170 Cb 0.66 0.58 -0.10 0.00 -1.74 0.00 0.00 68.15 67.55 1r84 h THR 170 CO 0.14 0.00 -0.10 0.15 0.37 0.00 0.00 175.52 176.09 1r84 h PHE 171 N -0.38 -0.22 -0.28 3.16 3.57 -0.95 -2.35 116.94 119.50 1r84 h PHE 171 Ca 0.02 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.60 1r84 h PHE 171 Cb 0.38 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 1r84 h PHE 171 CO -0.17 -0.21 0.07 0.87 -2.23 0.00 0.00 178.31 176.64 1r84 h LYS 172 N 0.03 0.18 -0.23 1.11 1.57 -0.95 0.32 116.57 118.59 1r84 h LYS 172 Ca 0.27 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.08 1r84 h LYS 172 Cb 0.41 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 1r84 h LYS 172 CO -0.53 0.12 -0.02 0.28 -0.57 0.00 0.00 179.45 178.72 1r84 h VAL 173 N 0.18 0.81 0.08 0.50 2.07 -1.14 -0.32 116.25 118.43 1r84 h VAL 173 Ca 0.13 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.64 1r84 h VAL 173 Cb 0.12 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1r84 h VAL 173 CO -0.16 0.01 -0.10 -0.07 0.02 0.00 0.00 177.57 177.27 1r84 h LEU 174 N 0.04 -0.27 -0.70 2.57 3.38 -1.12 -1.38 115.31 117.84 1r84 h LEU 174 Ca 0.11 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.26 1r84 h LEU 174 Cb 0.15 0.10 -0.12 0.00 0.09 0.00 0.00 40.66 40.88 1r84 h LEU 174 CO -0.21 -0.15 0.02 -0.09 0.09 0.00 0.00 178.44 178.10 1r84 h ARG 175 N -0.21 0.12 0.71 1.13 2.43 -0.19 0.35 114.38 118.72 1r84 h ARG 175 Ca 0.01 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1r84 h ARG 175 Cb 0.22 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1r84 h ARG 175 CO -0.04 0.08 -0.42 -0.91 -1.51 0.00 0.00 179.97 177.17 1r84 h ASN 176 N 0.12 -1.05 -0.56 -3.80 2.35 -0.80 -1.21 115.58 110.63 1r84 h ASN 176 Ca 0.38 0.06 0.10 0.00 -0.55 0.00 0.00 56.30 56.29 1r84 h ASN 176 Cb 0.64 0.30 -0.08 0.00 0.05 0.00 0.00 38.32 39.23 1r84 h ASN 176 CO -0.60 -0.66 0.09 0.58 -1.65 0.00 0.00 177.43 175.18 1r84 h VAL 177 N -1.06 0.64 0.45 2.81 2.07 -0.45 -2.21 116.25 118.49 1r84 h VAL 177 Ca -0.09 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1r84 h VAL 177 Cb 0.85 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1r84 h VAL 177 CO 0.11 0.04 -0.27 0.74 0.02 0.00 0.00 177.57 178.21 1r84 h THR 178 N 0.21 0.00 -0.56 2.57 2.02 -0.34 -1.22 112.91 115.59 1r84 h THR 178 Ca 0.29 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.58 1r84 h THR 178 Cb 0.42 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.74 1r84 h THR 178 CO -0.40 0.00 -0.02 0.58 0.37 0.00 0.00 175.52 176.05 1r84 h VAL 179 N -0.66 0.53 0.85 3.16 2.07 -1.14 -0.07 116.25 120.99 1r84 h VAL 179 Ca -0.06 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1r84 h VAL 179 Cb 0.53 0.43 0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1r84 h VAL 179 CO 0.07 0.02 -0.41 0.58 0.02 0.00 0.00 177.57 177.84 1r84 h VAL 180 N 0.10 0.00 -0.43 2.57 2.07 -1.43 -2.22 116.25 116.90 1r84 h VAL 180 Ca 0.28 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.85 1r84 h VAL 180 Cb 0.44 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 1r84 h VAL 180 CO -0.49 0.00 0.16 -0.07 0.02 0.00 0.00 177.57 177.19 1r84 h LEU 181 N -1.16 0.17 -0.27 2.57 3.38 -0.98 -2.51 115.31 116.51 1r84 h LEU 181 Ca -0.12 0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.97 1r84 h LEU 181 Cb 0.88 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 1r84 h LEU 181 CO 0.19 0.13 -0.30 -0.50 0.09 0.00 0.00 178.44 178.05 1r84 h TRP 182 N 0.33 -0.83 -0.86 1.13 4.06 -1.07 -2.41 115.95 116.29 1r84 h TRP 182 Ca 0.20 0.05 0.20 0.00 2.06 0.00 0.00 58.89 61.40 1r84 h TRP 182 Cb 0.19 0.40 -0.06 0.00 -1.00 0.00 0.00 29.16 28.69 1r84 h TRP 182 CO -0.15 -0.37 0.58 0.77 -3.56 0.00 0.00 178.44 175.71 1r84 h SER 183 N -0.30 0.32 -0.53 -3.49 0.02 -0.95 -2.11 113.55 106.52 1r84 h SER 183 Ca 0.14 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1r84 h SER 183 Cb 0.52 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1r84 h SER 183 CO -0.44 0.13 0.16 0.00 -1.14 0.00 0.00 176.83 175.55 1r84 h ALA 184 N 1.61 0.69 -0.42 3.77 0.00 -1.25 -3.36 119.26 120.31 1r84 h ALA 184 Ca 0.44 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1r84 h ALA 184 Cb 1.20 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 1r84 h ALA 184 CO -0.14 0.36 -0.48 1.88 0.00 0.00 0.00 179.25 180.87 1r84 h TYR 185 N 0.73 -1.44 -0.27 0.00 -1.99 -1.40 -0.65 116.97 111.96 1r84 h TYR 185 Ca 0.17 0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.97 1r84 h TYR 185 Cb 0.28 0.69 -0.01 0.00 2.00 0.00 0.00 36.73 39.69 1r84 h TYR 185 CO 0.02 -0.46 0.13 -1.00 -0.00 0.00 0.00 178.16 176.84 1r84 h PRO 186 N -0.35 0.36 0.57 4.88 0.13 -1.74 -1.52 132.00 134.33 1r84 h PRO 186 Ca 0.11 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.18 1r84 h PRO 186 Cb 0.59 -0.08 0.01 0.00 0.13 0.00 0.00 31.00 31.65 1r84 h PRO 186 CO -0.59 0.29 -0.28 0.28 -0.23 0.00 0.00 178.00 177.47 1r84 h VAL 187 N 0.37 0.26 -0.36 1.56 2.07 -1.46 -1.70 116.25 116.99 1r84 h VAL 187 Ca 0.09 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1r84 h VAL 187 Cb 0.04 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1r84 h VAL 187 CO -0.01 0.04 0.14 -0.37 0.02 0.00 0.00 177.57 177.38 1r84 h VAL 188 N -1.06 1.15 0.63 2.57 -1.51 -1.03 -1.96 116.25 115.03 1r84 h VAL 188 Ca -0.08 -0.47 -0.03 0.00 -1.23 0.00 0.00 66.70 64.90 1r84 h VAL 188 Cb 0.65 0.72 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1r84 h VAL 188 CO 0.13 0.18 -0.33 -0.25 -1.23 0.00 0.00 177.57 176.07 1r84 h TRP 189 N 0.51 -0.86 -0.97 5.19 7.01 -1.35 -2.74 115.95 122.75 1r84 h TRP 189 Ca 0.13 -0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.17 1r84 h TRP 189 Cb 0.12 0.29 -0.06 0.00 -2.10 0.00 0.00 29.16 27.41 1r84 h TRP 189 CO 0.00 -0.52 0.62 1.25 -2.79 0.00 0.00 178.44 177.01 1r84 h LEU 190 N -0.88 1.00 -0.09 0.65 6.46 -0.74 -1.40 115.31 120.31 1r84 h LEU 190 Ca -0.08 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1r84 h LEU 190 Cb 0.69 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1r84 h LEU 190 CO 0.12 0.65 -0.06 2.30 -0.62 0.00 0.00 178.44 180.83 1r84 n ILE 191 N -4.52 0.00 -2.68 4.05 -5.35 -0.79 -0.98 119.36 109.10 1r84 n ILE 191 Ca 0.14 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.60 1r84 n ILE 191 Cb 0.16 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 37.75 1r84 n ILE 191 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1r84 n GLY 192 N 1.29 1.54 0.32 3.28 0.00 -0.53 -0.50 105.19 110.59 1r84 n GLY 192 Ca 0.14 -2.07 0.07 0.00 0.00 0.00 0.00 46.02 44.16 1r84 n GLY 192 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1r84 h SER 193 N 0.00 0.64 0.60 1.61 0.87 -1.79 -2.50 113.55 112.98 1r84 h SER 193 Ca 0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1r84 h SER 193 Cb 0.00 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1r84 h SER 193 CO 0.00 0.30 0.00 -0.62 -0.53 0.00 0.00 176.83 175.98 1r84 n GLU 194 N -4.80 0.14 0.00 2.24 1.02 -1.26 -4.80 120.64 113.18 1r84 n GLU 194 Ca 0.17 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 1r84 n GLU 194 Cb 0.40 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 1r84 n GLU 194 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1r84 n GLY 195 N -0.15 2.19 3.69 0.62 0.00 -0.94 -4.87 105.19 105.73 1r84 n GLY 195 Ca 0.02 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 1r84 n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r84 s ALA 196 N -2.00 3.47 -0.96 4.61 0.00 -0.15 -4.96 121.76 121.77 1r84 s ALA 196 Ca 0.00 -0.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.68 1r84 s ALA 196 Cb 0.00 -2.87 -0.09 0.00 0.00 0.00 0.00 23.12 20.16 1r84 s ALA 196 CO 0.00 -0.27 2.10 0.41 0.00 0.00 0.00 175.76 178.00 1r84 n GLY 197 N 3.46 3.10 0.13 0.00 0.00 -1.25 -3.22 105.19 107.42 1r84 n GLY 197 Ca -0.03 -1.15 -0.22 0.00 0.00 0.00 0.00 46.02 44.62 1r84 n GLY 197 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1r84 h ILE 198 N 3.91 1.42 -3.71 -0.61 2.04 -1.78 -3.47 117.51 115.30 1r84 h ILE 198 Ca 0.50 -2.56 -0.56 0.00 1.00 0.00 0.00 64.86 63.24 1r84 h ILE 198 Cb 0.43 3.09 -0.32 0.00 -0.74 0.00 0.00 36.82 39.28 1r84 h ILE 198 CO 1.74 0.75 -0.83 -0.69 0.00 0.00 0.00 178.15 179.11 1r84 s VAL 199 N -2.56 1.39 0.64 1.67 1.01 0.35 -5.04 120.40 117.86 1r84 s VAL 199 Ca -0.12 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 1r84 s VAL 199 Cb 0.02 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1r84 s VAL 199 CO 0.88 0.41 1.13 -2.16 0.00 0.00 0.00 175.10 175.35 1r84 s PRO 200 N 0.24 2.83 0.36 2.72 0.04 -1.26 -3.37 135.00 136.55 1r84 s PRO 200 Ca -0.08 1.49 0.17 0.00 0.04 0.00 0.00 61.00 62.62 1r84 s PRO 200 Cb -0.13 -1.95 1.19 0.00 0.04 0.00 0.00 34.50 33.65 1r84 s PRO 200 CO 0.03 -1.25 1.64 1.25 0.04 0.00 0.00 177.00 178.71 1r84 h LEU 201 N 0.24 0.44 -0.48 -3.56 5.85 -1.86 -0.63 115.31 115.31 1r84 h LEU 201 Ca -0.48 0.21 0.10 0.00 0.84 0.00 0.00 57.88 58.55 1r84 h LEU 201 Cb 1.26 0.18 -0.10 0.00 0.37 0.00 0.00 40.66 42.37 1r84 h LEU 201 CO 0.54 -0.23 -0.24 -1.13 -0.34 0.00 0.00 178.44 177.04 1r84 h ASN 202 N 0.21 -0.82 -0.00 1.25 -0.00 -1.91 0.23 115.58 114.54 1r84 h ASN 202 Ca 0.78 0.18 -0.25 0.00 -0.00 0.00 0.00 56.30 57.00 1r84 h ASN 202 Cb 1.90 0.43 0.02 0.00 -0.00 0.00 0.00 38.32 40.67 1r84 h ASN 202 CO -0.65 -0.26 -0.99 0.40 -0.00 0.00 0.00 177.43 175.93 1r84 h ILE 203 N -0.13 1.29 -0.54 2.57 1.08 -1.52 -2.89 117.51 117.37 1r84 h ILE 203 Ca 0.22 -2.22 0.11 0.00 -0.39 0.00 0.00 64.86 62.58 1r84 h ILE 203 Cb 0.48 2.40 -0.10 0.00 -3.07 0.00 0.00 36.82 36.53 1r84 h ILE 203 CO -0.56 0.68 -0.12 -0.08 -0.69 0.00 0.00 178.15 177.39 1r84 h GLU 204 N 0.34 0.01 -0.38 2.37 4.81 -0.85 0.90 114.58 121.79 1r84 h GLU 204 Ca -0.12 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1r84 h GLU 204 Cb 1.65 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.99 1r84 h GLU 204 CO 0.20 0.01 0.18 1.15 -0.73 0.00 0.00 179.01 179.81 1r84 h THR 205 N 0.01 0.95 0.19 0.32 2.02 -0.63 -1.45 112.91 114.33 1r84 h THR 205 Ca 0.26 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 1r84 h THR 205 Cb 0.40 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1r84 h THR 205 CO -0.55 0.07 -0.09 0.25 0.37 0.00 0.00 175.52 175.57 1r84 h LEU 206 N 0.36 -0.22 0.20 2.58 7.12 -1.12 -0.41 115.31 123.82 1r84 h LEU 206 Ca 0.17 -0.12 0.01 0.00 0.13 0.00 0.00 57.88 58.06 1r84 h LEU 206 Cb 0.09 0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 40.24 1r84 h LEU 206 CO -0.13 -0.01 -0.48 -0.07 -0.13 0.00 0.00 178.44 177.63 1r84 h LEU 207 N -0.43 -1.39 -0.62 2.25 3.38 -0.81 -1.44 115.31 116.26 1r84 h LEU 207 Ca -0.03 0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.20 1r84 h LEU 207 Cb 0.33 0.51 -0.08 0.00 0.09 0.00 0.00 40.66 41.50 1r84 h LEU 207 CO 0.04 -0.55 0.18 -0.26 0.09 0.00 0.00 178.44 177.95 1r84 h PHE 208 N -0.76 0.31 -0.22 1.13 0.04 -1.29 -0.54 116.94 115.60 1r84 h PHE 208 Ca -0.00 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.86 1r84 h PHE 208 Cb 0.75 -0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.80 1r84 h PHE 208 CO -0.38 0.03 -0.17 1.98 -0.60 0.00 0.00 178.31 179.17 1r84 h MET 209 N 0.33 -0.16 -0.27 1.51 4.05 -0.65 0.28 114.93 120.02 1r84 h MET 209 Ca 0.32 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.75 1r84 h MET 209 Cb 0.45 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 1r84 h MET 209 CO -0.37 -0.11 0.15 0.28 0.23 0.00 0.00 176.91 177.09 1r84 h VAL 210 N -0.17 1.13 -0.06 -5.77 2.07 -0.84 -1.45 116.25 111.16 1r84 h VAL 210 Ca 0.13 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1r84 h VAL 210 Cb 0.36 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1r84 h VAL 210 CO -0.33 0.12 -0.02 -0.07 0.02 0.00 0.00 177.57 177.30 1r84 h LEU 211 N 0.32 -0.06 0.50 2.57 4.07 -0.91 -2.39 115.31 119.41 1r84 h LEU 211 Ca 0.09 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 1r84 h LEU 211 Cb 0.07 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 1r84 h LEU 211 CO -0.01 -0.02 -0.38 0.44 -1.08 0.00 0.00 178.44 177.38 1r84 h ASP 212 N -0.01 -1.00 -0.98 -0.43 3.32 -0.33 0.13 116.42 117.12 1r84 h ASP 212 Ca 0.03 0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.21 1r84 h ASP 212 Cb 0.05 0.31 -0.06 0.00 0.22 0.00 0.00 39.33 39.85 1r84 h ASP 212 CO -0.06 -0.56 0.63 1.62 -1.72 0.00 0.00 179.24 179.15 1r84 h VAL 213 N -0.87 1.10 0.16 -1.35 3.04 -1.31 0.09 116.25 117.11 1r84 h VAL 213 Ca -0.05 -0.40 -0.00 0.00 -1.01 0.00 0.00 66.70 65.23 1r84 h VAL 213 Cb 0.74 -0.17 -0.00 0.00 -2.01 0.00 0.00 31.29 29.85 1r84 h VAL 213 CO 0.01 0.21 -0.10 0.28 -1.01 0.00 0.00 177.57 176.96 1r84 h SER 214 N 1.16 -0.24 0.50 3.17 0.02 -1.25 0.61 113.55 117.53 1r84 h SER 214 Ca 0.42 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.34 1r84 h SER 214 Cb 0.14 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1r84 h SER 214 CO -0.16 -0.16 -0.21 0.00 -1.14 0.00 0.00 176.83 175.16 1r84 h ALA 215 N 0.59 1.24 -0.50 3.77 0.00 -0.13 0.23 119.26 124.46 1r84 h ALA 215 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1r84 h ALA 215 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1r84 h ALA 215 CO 0.01 0.26 0.00 1.63 0.00 0.00 0.00 179.25 181.15 1r84 n LYS 216 N -3.69 0.00 -0.04 0.00 4.01 -0.04 -4.55 118.16 113.86 1r84 n LYS 216 Ca -0.01 0.03 -0.13 0.00 -0.51 0.00 0.00 58.31 57.68 1r84 n LYS 216 Cb 0.32 -0.45 -0.11 0.00 -0.51 0.00 0.00 35.03 34.28 1r84 n LYS 216 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1r84 h VAL 217 N 0.00 1.55 0.18 -0.18 2.07 -1.08 -1.85 116.25 116.95 1r84 h VAL 217 Ca 0.00 -1.64 0.01 0.00 0.82 0.00 0.00 66.70 65.90 1r84 h VAL 217 Cb 0.00 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 1r84 h VAL 217 CO 0.00 0.43 -0.31 1.23 0.02 0.00 0.00 177.57 178.94 1r84 h GLY 218 N -0.67 -0.62 -0.69 2.17 0.00 -1.10 -0.16 103.07 102.00 1r84 h GLY 218 Ca -0.00 0.36 0.10 0.00 0.00 0.00 0.00 47.33 47.79 1r84 h GLY 218 CO 0.00 -0.25 -0.46 -2.75 0.00 0.00 0.00 176.54 173.08 1r84 h PHE 219 N -0.57 -1.38 -0.98 5.60 3.04 -1.08 -2.32 116.94 119.26 1r84 h PHE 219 Ca 0.02 0.10 0.12 0.00 3.98 0.00 0.00 57.97 62.18 1r84 h PHE 219 Cb 0.57 0.71 -0.08 0.00 2.56 0.00 0.00 35.95 39.70 1r84 h PHE 219 CO -0.25 -0.41 0.61 0.78 -2.02 0.00 0.00 178.31 177.02 1r84 h GLY 220 N -0.15 1.58 2.00 2.40 0.00 -0.77 -2.33 103.07 105.81 1r84 h GLY 220 Ca 0.20 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 1r84 h GLY 220 CO -0.79 0.16 -0.36 1.41 0.00 0.00 0.00 176.54 176.96 1r84 h LEU 221 N 0.96 0.00 0.64 3.11 3.38 -0.52 0.25 115.31 123.14 1r84 h LEU 221 Ca 0.48 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.42 1r84 h LEU 221 Cb 0.47 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.22 1r84 h LEU 221 CO -0.26 0.36 -0.31 0.40 0.09 0.00 0.00 178.44 178.72 1r84 h ILE 222 N 0.00 0.28 0.47 1.22 2.04 -0.98 -3.32 117.51 117.22 1r84 h ILE 222 Ca -0.00 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1r84 h ILE 222 Cb 0.76 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1r84 h ILE 222 CO 0.05 0.03 -0.26 0.25 0.00 0.00 0.00 178.15 178.21 1r84 h LEU 223 N -1.03 -0.65 0.00 1.44 5.85 -1.17 -3.20 115.31 116.55 1r84 h LEU 223 Ca -0.09 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1r84 h LEU 223 Cb 0.70 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.91 1r84 h LEU 223 CO 0.14 -0.42 0.00 0.18 -0.34 0.00 0.00 178.44 178.00 1r84 n LEU 224 N -3.96 0.00 -0.38 2.25 4.77 0.05 -1.74 117.00 117.99 1r84 n LEU 224 Ca -0.08 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.94 1r84 n LEU 224 Cb 0.28 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.41 1r84 n LEU 224 CO 0.20 0.00 0.40 0.54 -1.33 0.00 0.00 177.39 177.20 1r84 n ARG 225 N -0.74 0.37 -3.72 3.23 1.74 -1.21 -5.03 116.66 111.29 1r84 n ARG 225 Ca 0.07 -1.08 -0.25 0.00 -0.77 0.00 0.00 57.85 55.82 1r84 n ARG 225 Cb 0.03 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 1r84 n ARG 225 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1r84 s SER 226 N -0.78 4.73 -0.69 0.55 0.15 -0.71 -5.06 113.70 111.89 1r84 s SER 226 Ca 0.11 -1.15 -0.26 0.00 0.70 0.00 0.00 55.95 55.35 1r84 s SER 226 Cb 0.08 0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 64.70 1r84 s SER 226 CO 0.12 -1.11 1.78 -0.60 1.20 0.00 0.00 173.24 174.62 1r84 s ARG 227 N -4.33 2.73 -1.34 5.44 3.52 -1.26 -4.85 118.95 118.85 1r84 s ARG 227 Ca 0.40 0.29 -0.16 0.00 -0.13 0.00 0.00 55.73 56.12 1r84 s ARG 227 Cb -0.03 -4.50 0.07 0.00 -1.56 0.00 0.00 34.95 28.94 1r84 s ARG 227 CO 0.25 -2.73 1.86 0.00 -0.81 0.00 0.00 175.30 173.86 1r84 n ALA 228 N 12.33 4.16 -2.84 6.12 0.00 -1.05 -4.73 120.51 134.51 1r84 n ALA 228 Ca 0.21 -3.90 -0.00 0.00 0.00 0.00 0.00 53.44 49.76 1r84 n ALA 228 Cb 0.51 -3.54 -0.00 0.00 0.00 0.00 0.00 19.45 16.42 1r84 n ALA 228 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1r84 n ILE 229 N 5.85 -0.87 0.00 0.00 0.00 -1.26 -3.41 119.36 119.67 1r84 n ILE 229 Ca 0.49 0.02 0.00 0.00 0.00 0.00 0.00 62.75 63.26 1r84 n ILE 229 Cb 0.44 -2.31 0.00 0.00 0.00 0.00 0.00 39.64 37.77 1r84 n ILE 229 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 1r84 n PHE 230 N 2.41 0.00 -1.05 9.51 -0.00 -1.26 -4.74 117.46 122.33 1r84 n PHE 230 Ca -0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.16 1r84 n PHE 230 Cb 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 39.48 39.67 1r84 n PHE 230 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1r84 s GLY 231 N 0.00 1.56 0.00 7.13 0.00 -1.22 -5.09 107.32 109.70 1r84 s GLY 231 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.40 1r84 s GLY 231 CO 0.00 0.31 0.00 1.18 0.00 0.00 0.00 173.10 174.59