#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pil h LEU 3 N 0.00 0.00 -0.92 3.22 5.85 -2.05 -3.34 115.31 118.07 2pil h LEU 3 Ca 0.00 -0.94 0.14 0.00 0.84 0.00 0.00 57.88 57.92 2pil h LEU 3 Cb 0.00 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 40.88 2pil h LEU 3 CO 0.00 0.99 -0.37 0.00 -0.34 0.00 0.00 178.44 178.72 2pil n ILE 4 N -4.61 -0.49 -0.11 4.05 0.13 -1.26 -0.51 119.36 116.56 2pil n ILE 4 Ca -0.10 2.16 -0.06 0.00 -1.10 0.00 0.00 62.75 63.65 2pil n ILE 4 Cb 0.46 -2.85 0.02 0.00 -0.84 0.00 0.00 39.64 36.43 2pil n ILE 4 CO 0.00 0.00 0.00 -0.08 2.80 0.00 0.00 176.55 179.27 2pil h GLU 5 N 0.00 0.30 -0.15 9.51 4.57 -2.00 -0.64 114.58 126.17 2pil h GLU 5 Ca 0.31 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.45 2pil h GLU 5 Cb 0.54 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 2pil h GLU 5 CO -0.91 0.20 0.01 1.25 -1.18 0.00 0.00 179.01 178.37 2pil h LEU 6 N 0.31 0.26 -2.39 1.64 5.85 -1.05 -0.04 115.31 119.88 2pil h LEU 6 Ca 0.17 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.61 2pil h LEU 6 Cb 0.14 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 2pil h LEU 6 CO -0.16 0.50 0.19 0.24 -0.34 0.00 0.00 178.44 178.86 2pil h MET 7 N 0.02 0.00 0.15 1.25 2.86 0.22 0.13 114.93 119.56 2pil h MET 7 Ca 0.04 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.36 2pil h MET 7 Cb 0.36 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 2pil h MET 7 CO 0.01 0.00 -1.68 0.82 1.06 0.00 0.00 176.91 177.12 2pil h ILE 8 N 0.00 0.91 -0.55 -1.22 2.04 -0.45 -2.28 117.51 115.96 2pil h ILE 8 Ca 0.03 -2.44 -0.05 0.00 1.00 0.00 0.00 64.86 63.41 2pil h ILE 8 Cb 0.40 2.69 -0.02 0.00 -0.74 0.00 0.00 36.82 39.15 2pil h ILE 8 CO -0.00 0.81 0.13 0.58 0.00 0.00 0.00 178.15 179.67 2pil h VAL 9 N -0.05 1.23 -0.16 1.67 2.07 0.11 -0.61 116.25 120.50 2pil h VAL 9 Ca -0.35 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 2pil h VAL 9 Cb 1.96 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 2pil h VAL 9 CO 0.12 0.31 -0.01 0.40 0.02 0.00 0.00 177.57 178.41 2pil h ILE 10 N 0.81 1.26 -0.33 4.57 1.08 -1.18 -1.86 117.51 121.86 2pil h ILE 10 Ca 0.18 -0.87 0.04 0.00 -0.39 0.00 0.00 64.86 63.81 2pil h ILE 10 Cb 0.30 1.52 -0.04 0.00 -3.07 0.00 0.00 36.82 35.53 2pil h ILE 10 CO -0.00 0.26 0.10 0.00 -0.69 0.00 0.00 178.15 177.82 2pil h ALA 11 N 0.76 0.37 -0.25 1.87 0.00 -1.08 0.25 119.26 121.18 2pil h ALA 11 Ca 0.04 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 2pil h ALA 11 Cb 0.40 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2pil h ALA 11 CO 0.01 -0.30 -0.61 -0.84 0.00 0.00 0.00 179.25 177.51 2pil h ILE 12 N 0.23 1.28 -0.34 0.00 3.07 -1.03 -2.07 117.51 118.65 2pil h ILE 12 Ca 0.15 -1.80 -0.14 0.00 1.55 0.00 0.00 64.86 64.61 2pil h ILE 12 Cb 0.13 1.73 -0.01 0.00 -0.27 0.00 0.00 36.82 38.41 2pil h ILE 12 CO -0.16 0.58 -0.34 0.58 -1.05 0.00 0.00 178.15 177.76 2pil h VAL 13 N 0.62 1.29 -0.06 0.16 2.07 -1.17 -2.97 116.25 116.19 2pil h VAL 13 Ca -0.00 -1.51 -0.06 0.00 0.82 0.00 0.00 66.70 65.95 2pil h VAL 13 Cb 1.22 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2pil h VAL 13 CO 0.13 0.50 -0.22 1.23 0.02 0.00 0.00 177.57 179.23 2pil h GLY 14 N 0.61 0.11 1.60 2.17 0.00 -0.81 -1.76 103.07 104.98 2pil h GLY 14 Ca 0.05 -0.07 -0.22 0.00 0.00 0.00 0.00 47.33 47.09 2pil h GLY 14 CO 0.08 0.07 -0.94 0.16 0.00 0.00 0.00 176.54 175.91 2pil h ILE 15 N 0.09 1.43 -0.94 2.60 -0.00 -1.36 -2.36 117.51 116.96 2pil h ILE 15 Ca 0.02 -2.52 0.07 0.00 -0.00 0.00 0.00 64.86 62.43 2pil h ILE 15 Cb 0.45 2.46 -0.06 0.00 -0.00 0.00 0.00 36.82 39.66 2pil h ILE 15 CO 0.03 0.75 0.61 -0.07 -0.00 0.00 0.00 178.15 179.47 2pil h LEU 16 N 0.20 0.95 -0.25 0.16 4.07 -1.41 0.28 115.31 119.32 2pil h LEU 16 Ca -0.07 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.85 2pil h LEU 16 Cb 1.58 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 43.12 2pil h LEU 16 CO 0.16 0.61 -0.01 0.00 -1.08 0.00 0.00 178.44 178.11 2pil h ALA 17 N 1.49 0.33 -0.38 1.53 0.00 -1.28 0.18 119.26 121.13 2pil h ALA 17 Ca 0.41 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.14 2pil h ALA 17 Cb 0.19 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2pil h ALA 17 CO -0.16 0.08 0.07 0.00 0.00 0.00 0.00 179.25 179.25 2pil h ALA 18 N 0.80 0.41 -0.52 0.00 0.00 -1.03 0.23 119.26 119.14 2pil h ALA 18 Ca 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2pil h ALA 18 Cb 0.44 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2pil h ALA 18 CO 0.02 -0.33 0.28 0.28 0.00 0.00 0.00 179.25 179.49 2pil h VAL 19 N 0.19 1.18 -0.30 0.00 2.07 -0.30 -3.16 116.25 115.93 2pil h VAL 19 Ca 0.18 -0.46 -0.17 0.00 0.82 0.00 0.00 66.70 67.08 2pil h VAL 19 Cb 0.22 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2pil h VAL 19 CO -0.24 0.19 -0.48 0.00 0.02 0.00 0.00 177.57 177.06 2pil h ALA 20 N 1.12 0.58 -0.67 1.67 0.00 0.46 -3.38 119.26 119.04 2pil h ALA 20 Ca 0.18 -0.49 0.11 0.00 0.00 0.00 0.00 54.91 54.71 2pil h ALA 20 Cb 0.06 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 17.63 2pil h ALA 20 CO -0.03 0.68 -0.36 1.25 0.00 0.00 0.00 179.25 180.79 2pil h LEU 21 N 0.64 -1.28 -0.98 0.00 5.85 -0.56 -0.07 115.31 118.92 2pil h LEU 21 Ca 0.03 0.25 0.19 0.00 0.84 0.00 0.00 57.88 59.19 2pil h LEU 21 Cb 1.06 0.63 -0.18 0.00 0.37 0.00 0.00 40.66 42.54 2pil h LEU 21 CO 0.11 -0.31 -0.26 -0.81 -0.34 0.00 0.00 178.44 176.83 2pil n PRO 22 N -5.43 -0.10 -0.06 5.25 -0.04 -1.26 -0.71 135.00 132.65 2pil n PRO 22 Ca 0.05 1.52 -0.10 0.00 -0.04 0.00 0.00 63.50 64.93 2pil n PRO 22 Cb 0.36 -2.28 -0.04 0.00 -0.04 0.00 0.00 33.50 31.51 2pil n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pil h ALA 23 N 1.91 0.27 0.00 0.55 0.00 -1.24 0.61 119.26 121.35 2pil h ALA 23 Ca 0.46 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 2pil h ALA 23 Cb 0.70 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2pil h ALA 23 CO -1.00 -0.17 -0.62 -0.92 0.00 0.00 0.00 179.25 176.53 2pil h TYR 24 N 0.21 0.00 -0.61 0.00 5.03 -1.39 0.29 116.97 120.49 2pil h TYR 24 Ca 0.07 0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.40 2pil h TYR 24 Cb 0.12 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.36 2pil h TYR 24 CO -0.02 0.62 0.39 0.37 -1.32 0.00 0.00 178.16 178.20 2pil h GLN 25 N 0.00 0.76 0.00 1.82 5.75 -0.28 0.02 115.11 123.18 2pil h GLN 25 Ca -0.01 -0.05 -0.15 0.00 -0.15 0.00 0.00 58.65 58.30 2pil h GLN 25 Cb 1.17 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.53 2pil h GLN 25 CO 0.08 0.51 -0.69 -0.44 -2.65 0.00 0.00 178.83 175.63 2pil h ASP 26 N 0.79 0.00 -0.07 -0.69 3.32 -0.31 -3.15 116.42 116.31 2pil h ASP 26 Ca 0.24 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 2pil h ASP 26 Cb -0.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 2pil h ASP 26 CO -0.08 0.69 0.01 0.22 -1.72 0.00 0.00 179.24 178.37 2pil h TYR 27 N 0.00 0.12 -0.01 4.55 3.20 0.05 -2.59 116.97 122.28 2pil h TYR 27 Ca -0.01 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 2pil h TYR 27 Cb 1.36 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.59 2pil h TYR 27 CO 0.00 0.32 0.01 1.79 -1.64 0.00 0.00 178.16 178.64 2pil h THR 28 N -0.12 1.04 -0.97 1.81 1.35 -1.07 -1.75 112.91 113.20 2pil h THR 28 Ca 0.02 -0.11 0.15 0.00 -0.55 0.00 0.00 66.41 65.92 2pil h THR 28 Cb 0.26 1.09 -0.09 0.00 -1.73 0.00 0.00 68.15 67.69 2pil h THR 28 CO 0.00 0.03 0.61 0.00 -0.25 0.00 0.00 175.52 175.91 2pil h ALA 29 N 0.96 1.68 -0.26 6.62 0.00 -1.56 0.22 119.26 126.92 2pil h ALA 29 Ca 0.01 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2pil h ALA 29 Cb 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2pil h ALA 29 CO -0.00 0.03 -0.42 0.00 0.00 0.00 0.00 179.25 178.86 2pil h ARG 30 N 0.82 0.64 -0.57 0.00 3.08 -1.02 -2.00 114.38 115.33 2pil h ARG 30 Ca 0.51 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 2pil h ARG 30 Cb 0.70 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 2pil h ARG 30 CO -0.28 0.94 0.01 0.00 -1.07 0.00 0.00 179.97 179.57 2pil h ALA 31 N 1.01 0.77 -0.11 0.04 0.00 -0.06 -1.83 119.26 119.08 2pil h ALA 31 Ca 0.04 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 2pil h ALA 31 Cb 0.95 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2pil h ALA 31 CO 0.09 0.60 -0.35 1.96 0.00 0.00 0.00 179.25 181.54 2pil h GLN 32 N 0.89 0.23 0.00 0.00 4.20 -0.52 -2.85 115.11 117.06 2pil h GLN 32 Ca 0.16 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 2pil h GLN 32 Cb 0.54 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2pil h GLN 32 CO 0.03 0.55 -0.22 -0.39 -0.67 0.00 0.00 178.83 178.13 2pil h VAL 33 N 0.20 0.39 -0.79 -0.54 -1.51 -1.22 -3.17 116.25 109.61 2pil h VAL 33 Ca 0.02 -1.53 0.17 0.00 -1.23 0.00 0.00 66.70 64.14 2pil h VAL 33 Cb 0.71 2.17 -0.11 0.00 -2.13 0.00 0.00 31.29 31.94 2pil h VAL 33 CO 0.05 0.22 0.28 0.28 -1.23 0.00 0.00 177.57 177.17 2pil h SER 34 N 0.00 0.18 -0.26 4.19 0.02 -1.09 0.99 113.55 117.59 2pil h SER 34 Ca -0.00 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2pil h SER 34 Cb 1.16 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 2pil h SER 34 CO 0.03 0.02 0.12 -0.08 -1.14 0.00 0.00 176.83 175.78 2pil h GLU 35 N 0.36 0.37 -0.36 3.45 4.81 -1.56 0.21 114.58 121.85 2pil h GLU 35 Ca 0.46 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.69 2pil h GLU 35 Cb 0.79 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.05 2pil h GLU 35 CO -0.49 0.36 0.09 0.00 -0.73 0.00 0.00 179.01 178.24 2pil h ALA 36 N 0.98 0.40 -0.22 2.92 0.00 -1.33 0.36 119.26 122.36 2pil h ALA 36 Ca 0.09 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2pil h ALA 36 Cb 0.12 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2pil h ALA 36 CO -0.01 -0.32 0.00 0.82 0.00 0.00 0.00 179.25 179.74 2pil h ILE 37 N 0.21 1.14 0.05 0.00 2.04 -0.48 -1.70 117.51 118.77 2pil h ILE 37 Ca 0.17 -0.54 -0.23 0.00 1.00 0.00 0.00 64.86 65.26 2pil h ILE 37 Cb 0.19 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2pil h ILE 37 CO -0.21 0.18 -1.09 0.25 0.00 0.00 0.00 178.15 177.28 2pil h LEU 38 N 0.32 0.16 -0.92 1.44 5.85 0.26 -2.61 115.31 119.82 2pil h LEU 38 Ca 0.07 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.51 2pil h LEU 38 Cb 0.22 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2pil h LEU 38 CO 0.00 1.14 -0.37 -0.07 -0.34 0.00 0.00 178.44 178.80 2pil h LEU 39 N 0.03 0.34 -0.43 2.25 3.38 -0.09 -3.01 115.31 117.79 2pil h LEU 39 Ca -0.06 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.61 2pil h LEU 39 Cb 1.84 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.49 2pil h LEU 39 CO 0.16 0.69 -0.54 0.00 0.09 0.00 0.00 178.44 178.84 2pil h ALA 40 N 1.33 0.61 0.00 1.53 0.00 -1.29 -3.25 119.26 118.19 2pil h ALA 40 Ca 0.03 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2pil h ALA 40 Cb 0.78 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2pil h ALA 40 CO 0.06 0.68 -0.28 0.93 0.00 0.00 0.00 179.25 180.65 2pil h GLU 41 N 0.54 0.00 -0.92 0.00 5.08 -1.44 -3.10 114.58 114.74 2pil h GLU 41 Ca 0.01 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 2pil h GLU 41 Cb 1.11 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.28 2pil h GLU 41 CO 0.11 0.28 0.56 0.78 -1.00 0.00 0.00 179.01 179.74 2pil h GLY 42 N 1.81 1.46 2.00 -3.84 0.00 -1.56 -2.29 103.07 100.66 2pil h GLY 42 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2pil h GLY 42 CO 0.04 0.17 0.00 -1.06 0.00 0.00 0.00 176.54 175.69 2pil n GLN 43 N -4.66 0.05 0.18 4.80 3.00 -1.17 -4.16 117.38 115.42 2pil n GLN 43 Ca 0.16 0.28 0.04 0.00 -0.01 0.00 0.00 57.00 57.47 2pil n GLN 43 Cb 0.29 -1.59 0.31 0.00 0.00 0.00 0.00 30.24 29.25 2pil n GLN 43 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 2pil h LYS 44 N 0.00 0.00 0.50 -1.09 1.57 -1.52 -2.81 116.57 113.22 2pil h LYS 44 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2pil h LYS 44 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2pil h LYS 44 CO 0.00 0.42 -0.24 1.03 -0.57 0.00 0.00 179.45 180.09 2pil h SER 45 N 0.00 -0.56 -0.81 0.86 0.87 -1.79 -0.53 113.55 111.59 2pil h SER 45 Ca -0.00 -0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 2pil h SER 45 Cb 0.90 0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.96 2pil h SER 45 CO 0.05 -0.37 0.51 0.00 -0.53 0.00 0.00 176.83 176.49 2pil h ALA 46 N -0.21 1.08 -0.45 6.23 0.00 -1.83 -1.13 119.26 122.95 2pil h ALA 46 Ca -0.07 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2pil h ALA 46 Cb 0.53 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2pil h ALA 46 CO 0.11 0.30 -0.15 0.28 0.00 0.00 0.00 179.25 179.79 2pil h VAL 47 N 0.97 1.27 0.03 0.00 2.07 -1.24 -1.19 116.25 118.17 2pil h VAL 47 Ca 0.34 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 2pil h VAL 47 Cb 0.07 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2pil h VAL 47 CO -0.14 0.44 -0.02 0.74 0.02 0.00 0.00 177.57 178.62 2pil h THR 48 N 0.73 0.99 -0.16 2.57 2.02 -1.02 -0.20 112.91 117.84 2pil h THR 48 Ca 0.11 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.27 2pil h THR 48 Cb 0.70 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 2pil h THR 48 CO 0.05 0.02 -0.12 -0.08 0.37 0.00 0.00 175.52 175.76 2pil h GLU 49 N -0.07 -0.12 0.37 6.66 4.57 -1.09 0.86 114.58 125.76 2pil h GLU 49 Ca -0.00 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2pil h GLU 49 Cb 0.06 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2pil h GLU 49 CO 0.01 -0.08 -0.26 -0.92 -1.18 0.00 0.00 179.01 176.58 2pil h TYR 50 N -0.13 -0.68 -0.62 0.92 5.03 -1.12 0.15 116.97 120.53 2pil h TYR 50 Ca 0.10 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.41 2pil h TYR 50 Cb 0.27 0.25 -0.03 0.00 1.55 0.00 0.00 36.73 38.77 2pil h TYR 50 CO -0.26 -0.39 0.40 -0.92 -1.32 0.00 0.00 178.16 175.68 2pil h TYR 51 N -0.62 0.78 -0.23 -3.82 3.20 -0.65 -2.94 116.97 112.70 2pil h TYR 51 Ca -0.04 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.66 2pil h TYR 51 Cb 0.52 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.53 2pil h TYR 51 CO -0.11 0.50 -0.62 -0.07 -1.64 0.00 0.00 178.16 176.22 2pil h LEU 52 N 0.84 0.94 -0.10 2.82 4.07 -0.10 0.17 115.31 123.95 2pil h LEU 52 Ca 0.23 -0.57 0.00 0.00 0.08 0.00 0.00 57.88 57.61 2pil h LEU 52 Cb -0.09 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.38 2pil h LEU 52 CO -0.05 1.34 0.00 0.59 -1.08 0.00 0.00 178.44 179.24 2pil n ASN 53 N -4.01 0.14 0.00 -0.43 5.03 -0.03 -4.38 115.26 111.58 2pil n ASN 53 Ca -0.06 0.53 0.00 0.00 0.87 0.00 0.00 54.58 55.92 2pil n ASN 53 Cb 0.66 -0.56 0.00 0.00 -1.02 0.00 0.00 39.78 38.86 2pil n ASN 53 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2pil n HIS 54 N -1.65 0.00 -0.15 3.10 -0.00 -0.94 -5.02 115.22 110.56 2pil n HIS 54 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 2pil n HIS 54 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.22 2pil n HIS 54 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2pil n GLY 55 N 0.46 1.34 3.54 -1.41 0.00 0.57 -5.05 105.19 104.63 2pil n GLY 55 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2pil n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pil s LYS 56 N -0.47 2.16 0.19 1.61 -0.14 -1.26 -5.03 119.74 116.80 2pil s LYS 56 Ca 0.00 -0.97 -0.30 0.00 -1.36 0.00 0.00 55.97 53.34 2pil s LYS 56 Cb 0.00 -2.29 -0.08 0.00 -1.68 0.00 0.00 37.83 33.78 2pil s LYS 56 CO 0.00 0.53 0.93 -1.58 -0.76 0.00 0.00 175.35 174.47 2pil s TRP 57 N -1.09 3.93 0.23 3.18 0.52 -1.26 -3.58 118.94 120.86 2pil s TRP 57 Ca 0.18 1.86 -0.32 0.00 0.02 0.00 0.00 56.10 57.84 2pil s TRP 57 Cb -0.11 -2.98 -0.13 0.00 -1.15 0.00 0.00 33.47 29.10 2pil s TRP 57 CO 0.10 0.39 1.48 -0.35 0.02 0.00 0.00 176.95 178.59 2pil n PRO 58 N 1.91 2.19 0.09 4.98 -0.04 -1.26 -4.57 135.00 138.29 2pil n PRO 58 Ca -0.01 0.78 -0.08 0.00 -0.04 0.00 0.00 63.50 64.16 2pil n PRO 58 Cb 0.48 -2.49 0.01 0.00 -0.04 0.00 0.00 33.50 31.47 2pil n PRO 58 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2pil h GLU 59 N 4.72 0.17 0.00 0.54 4.81 -1.91 -0.31 114.58 122.59 2pil h GLU 59 Ca -0.45 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 58.55 2pil h GLU 59 Cb 1.26 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 2pil h GLU 59 CO 0.79 0.91 -0.01 0.27 -0.73 0.00 0.00 179.01 180.24 2pil n ASN 60 N -3.67 -0.29 -0.04 1.04 0.23 -1.24 -1.82 115.26 109.46 2pil n ASN 60 Ca -0.03 -1.35 -0.09 0.00 -0.53 0.00 0.00 54.58 52.58 2pil n ASN 60 Cb 0.78 0.53 -0.03 0.00 -2.08 0.00 0.00 39.78 38.98 2pil n ASN 60 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 2pil h ASN 61 N 0.37 -0.04 -0.26 0.53 4.21 -1.89 -1.93 115.58 116.58 2pil h ASN 61 Ca -0.05 0.04 -0.03 0.00 1.21 0.00 0.00 56.30 57.47 2pil h ASN 61 Cb 0.23 0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 2pil h ASN 61 CO 0.07 0.01 0.06 0.74 -1.29 0.00 0.00 177.43 177.02 2pil h THR 62 N 0.08 1.21 -0.60 2.81 2.02 -1.86 -0.92 112.91 115.66 2pil h THR 62 Ca 0.09 -0.70 0.12 0.00 0.77 0.00 0.00 66.41 66.69 2pil h THR 62 Cb 0.10 1.18 -0.10 0.00 -1.74 0.00 0.00 68.15 67.60 2pil h THR 62 CO -0.14 0.23 0.01 0.28 0.37 0.00 0.00 175.52 176.27 2pil h SER 63 N 0.24 -0.24 0.88 4.18 0.02 -1.92 -2.09 113.55 114.62 2pil h SER 63 Ca 0.08 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2pil h SER 63 Cb 0.29 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2pil h SER 63 CO 0.00 -0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.59 2pil h ALA 64 N 1.54 1.00 -1.36 3.77 0.00 -1.00 -3.47 119.26 119.74 2pil h ALA 64 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2pil h ALA 64 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2pil h ALA 64 CO -0.50 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.16 2pil n GLY 65 N 0.13 0.77 3.51 0.00 0.00 -0.47 -4.76 105.19 104.36 2pil n GLY 65 Ca 0.02 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 2pil n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pil s VAL 66 N -2.98 1.13 0.00 1.61 -7.23 -0.48 -5.02 120.40 107.44 2pil s VAL 66 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2pil s VAL 66 Cb 0.00 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.29 2pil s VAL 66 CO 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.79 2pil n ALA 67 N -0.83 0.00 0.00 1.32 0.00 -1.26 -4.12 120.51 115.62 2pil n ALA 67 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2pil n ALA 67 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 2pil n ALA 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2pil n PRO 69 N -0.75 0.00 -0.38 0.00 -0.04 -1.26 -4.76 135.00 127.81 2pil n PRO 69 Ca 0.00 0.00 0.30 0.00 -0.04 0.00 0.00 63.50 63.76 2pil n PRO 69 Cb 0.00 0.00 0.57 0.00 -0.04 0.00 0.00 33.50 34.03 2pil n PRO 69 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2pil h PRO 70 N 0.00 0.21 0.00 0.54 0.13 -1.95 -0.57 132.00 130.36 2pil h PRO 70 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2pil h PRO 70 Cb 0.00 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.08 2pil h PRO 70 CO 0.00 0.14 0.00 0.43 -0.23 0.00 0.00 178.00 178.34 2pil n SER 71 N -4.78 0.09 -0.15 1.44 7.64 -1.26 -1.00 113.62 115.59 2pil n SER 71 Ca 0.33 0.54 0.13 0.00 1.01 0.00 0.00 58.87 60.88 2pil n SER 71 Cb 1.18 -0.55 0.45 0.00 -1.01 0.00 0.00 64.21 64.28 2pil n SER 71 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2pil n ASP 72 N -1.61 0.70 -4.13 6.43 8.00 -0.22 -4.28 116.55 121.44 2pil n ASP 72 Ca 0.01 -0.61 -0.38 0.00 0.71 0.00 0.00 54.79 54.52 2pil n ASP 72 Cb 0.04 0.05 -0.08 0.00 -0.02 0.00 0.00 41.12 41.11 2pil n ASP 72 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pil s ILE 73 N -2.60 4.04 0.22 0.53 1.01 -0.17 -5.00 121.20 119.23 2pil s ILE 73 Ca 0.23 -3.00 0.01 0.00 0.00 0.00 0.00 60.65 57.89 2pil s ILE 73 Cb 0.19 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 2pil s ILE 73 CO 0.53 -0.92 0.08 -1.59 0.00 0.00 0.00 174.94 173.05 2pil s LYS 74 N -0.18 1.27 0.00 2.79 -2.85 -1.26 -2.71 119.74 116.80 2pil s LYS 74 Ca 0.18 -1.67 0.00 0.00 -1.00 0.00 0.00 55.97 53.49 2pil s LYS 74 Cb -0.18 -0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.49 2pil s LYS 74 CO -0.05 -0.28 0.00 0.41 0.10 0.00 0.00 175.35 175.53 2pil n GLY 75 N -0.35 5.04 0.23 0.59 0.00 -0.26 -4.95 105.19 105.48 2pil n GLY 75 Ca -0.01 -1.51 -0.08 0.00 0.00 0.00 0.00 46.02 44.42 2pil n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pil h LYS 76 N 0.00 0.74 -0.00 1.61 1.57 -2.00 -3.34 116.57 115.15 2pil h LYS 76 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2pil h LYS 76 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2pil h LYS 76 CO 0.00 0.63 -0.11 0.66 -0.57 0.00 0.00 179.45 180.06 2pil n TYR 77 N -4.58 0.00 -4.17 -1.35 4.01 -1.26 -4.94 117.16 104.87 2pil n TYR 77 Ca 0.02 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.41 2pil n TYR 77 Cb 0.13 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.07 2pil n TYR 77 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2pil s VAL 78 N -0.97 4.68 -0.06 -0.72 1.01 -1.25 0.41 120.40 123.49 2pil s VAL 78 Ca 0.03 -0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 2pil s VAL 78 Cb 0.03 -3.03 -0.30 0.00 0.00 0.00 0.00 36.38 33.09 2pil s VAL 78 CO 0.12 0.56 0.68 0.50 0.00 0.00 0.00 175.10 176.96 2pil h LYS 79 N 5.61 0.33 -1.71 2.72 3.64 -1.30 -0.68 116.57 125.19 2pil h LYS 79 Ca -0.47 -0.57 0.03 0.00 -1.27 0.00 0.00 60.65 58.37 2pil h LYS 79 Cb 1.19 0.21 -0.25 0.00 -0.41 0.00 0.00 32.23 32.98 2pil h LYS 79 CO 0.60 1.27 0.37 -1.83 -2.27 0.00 0.00 179.45 177.59 2pil s GLU 80 N -2.52 0.60 -0.13 1.90 -1.05 -1.22 -4.41 118.70 111.87 2pil s GLU 80 Ca -0.17 0.69 0.02 0.00 -0.15 0.00 0.00 54.97 55.36 2pil s GLU 80 Cb 0.04 0.29 -0.00 0.00 -0.44 0.00 0.00 34.13 34.02 2pil s GLU 80 CO 0.82 -0.08 -0.19 0.08 0.95 0.00 0.00 175.26 176.85 2pil s VAL 81 N 0.22 2.41 -0.11 1.83 1.01 -1.10 -1.37 120.40 123.29 2pil s VAL 81 Ca 0.02 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.14 2pil s VAL 81 Cb -0.05 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.37 2pil s VAL 81 CO -0.04 0.54 -0.11 -0.70 0.00 0.00 0.00 175.10 174.79 2pil s GLU 82 N 0.63 1.80 -0.25 2.72 2.12 -0.06 -4.44 118.70 121.22 2pil s GLU 82 Ca -0.10 -0.39 -0.23 0.00 0.36 0.00 0.00 54.97 54.61 2pil s GLU 82 Cb -0.16 -1.68 -0.01 0.00 0.26 0.00 0.00 34.13 32.54 2pil s GLU 82 CO 0.03 -0.17 0.76 0.08 -0.54 0.00 0.00 175.26 175.42 2pil s VAL 83 N 1.33 4.88 -0.28 3.70 1.01 -1.26 -1.91 120.40 127.87 2pil s VAL 83 Ca -0.01 1.38 -0.04 0.00 0.00 0.00 0.00 61.98 63.31 2pil s VAL 83 Cb -0.14 -4.06 0.10 0.00 0.00 0.00 0.00 36.38 32.29 2pil s VAL 83 CO -0.05 -0.06 0.13 -0.75 0.00 0.00 0.00 175.10 174.38 2pil s LYS 84 N 2.74 0.19 -1.01 2.72 2.20 -0.42 -3.50 119.74 122.66 2pil s LYS 84 Ca 0.32 -0.49 -0.01 0.00 -0.36 0.00 0.00 55.97 55.42 2pil s LYS 84 Cb -0.15 -1.17 0.00 0.00 -1.51 0.00 0.00 37.83 35.00 2pil s LYS 84 CO 0.08 -1.00 0.85 0.09 -0.36 0.00 0.00 175.35 175.01 2pil n ASN 85 N 5.25 -2.64 0.00 1.43 3.02 -0.76 -2.64 115.26 118.92 2pil n ASN 85 Ca -0.06 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 2pil n ASN 85 Cb 0.43 -4.30 0.00 0.00 -0.61 0.00 0.00 39.78 35.30 2pil n ASN 85 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pil n GLY 86 N -1.22 1.93 3.71 7.41 0.00 -0.17 -4.80 105.19 112.05 2pil n GLY 86 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 2pil n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pil s VAL 87 N -2.65 5.29 -0.20 1.61 1.01 -1.08 -4.58 120.40 119.80 2pil s VAL 87 Ca 0.00 0.52 -0.06 0.00 0.00 0.00 0.00 61.98 62.44 2pil s VAL 87 Cb 0.00 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 2pil s VAL 87 CO 0.00 0.36 0.02 0.54 0.00 0.00 0.00 175.10 176.02 2pil s VAL 88 N 0.72 4.19 -0.13 2.92 0.11 -0.72 -1.30 120.40 126.20 2pil s VAL 88 Ca 0.15 -0.23 0.02 0.00 -2.93 0.00 0.00 61.98 58.99 2pil s VAL 88 Cb -0.13 -2.90 0.00 0.00 -1.53 0.00 0.00 36.38 31.82 2pil s VAL 88 CO 0.04 0.43 -0.21 -0.89 -3.33 0.00 0.00 175.10 171.14 2pil s THR 89 N 0.89 2.21 -0.14 5.04 2.01 -0.80 -1.30 115.64 123.54 2pil s THR 89 Ca 0.02 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 61.04 2pil s THR 89 Cb -0.14 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 2pil s THR 89 CO 0.02 0.54 0.01 0.00 -0.69 0.00 0.00 174.62 174.51 2pil s ALA 90 N 0.68 3.23 -0.11 7.40 0.00 -0.50 -0.88 121.76 131.58 2pil s ALA 90 Ca -0.10 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 2pil s ALA 90 Cb -0.16 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 2pil s ALA 90 CO 0.01 0.33 -0.01 0.99 0.00 0.00 0.00 175.76 177.08 2pil s THR 91 N -0.07 4.17 0.47 0.00 2.01 -0.47 -2.01 115.64 119.74 2pil s THR 91 Ca 0.04 -0.28 -0.15 0.00 0.31 0.00 0.00 61.69 61.60 2pil s THR 91 Cb -0.13 -2.78 -0.08 0.00 0.01 0.00 0.00 72.50 69.53 2pil s THR 91 CO 0.02 0.56 0.91 -0.04 -0.69 0.00 0.00 174.62 175.38 2pil s MET 92 N -0.38 3.92 1.17 4.92 -1.94 0.12 -1.06 119.30 126.05 2pil s MET 92 Ca 0.07 0.82 -0.19 0.00 -1.71 0.00 0.00 55.69 54.68 2pil s MET 92 Cb -0.12 -2.22 0.27 0.00 2.01 0.00 0.00 34.83 34.77 2pil s MET 92 CO 0.02 -0.17 1.13 -1.17 -0.01 0.00 0.00 175.02 174.82 2pil s LEU 93 N -3.91 0.92 -0.26 -0.03 1.98 0.16 -2.59 118.68 114.96 2pil s LEU 93 Ca 0.57 0.62 0.09 0.00 -2.89 0.00 0.00 54.13 52.52 2pil s LEU 93 Cb -0.10 -2.40 0.45 0.00 0.66 0.00 0.00 46.19 44.80 2pil s LEU 93 CO 0.30 -3.95 1.29 -1.20 -1.89 0.00 0.00 176.35 170.89 2pil n SER 94 N -4.64 2.93 -3.68 3.68 7.64 -1.26 0.03 113.62 118.31 2pil n SER 94 Ca 0.13 -3.84 -0.10 0.00 1.01 0.00 0.00 58.87 56.07 2pil n SER 94 Cb 0.59 -0.52 -0.10 0.00 -1.01 0.00 0.00 64.21 63.18 2pil n SER 94 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2pil s SER 95 N -3.15 -0.61 -0.26 6.43 0.01 -1.26 -4.85 113.70 110.02 2pil s SER 95 Ca 0.44 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.74 2pil s SER 95 Cb 0.39 0.93 0.00 0.00 0.21 0.00 0.00 66.02 67.55 2pil s SER 95 CO -0.02 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.03 2pil n GLY 96 N 4.15 0.54 3.15 3.44 0.00 -1.26 -4.92 105.19 110.29 2pil n GLY 96 Ca -0.22 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 2pil n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pil s VAL 97 N -1.89 1.22 0.25 1.61 1.01 -1.26 -4.91 120.40 116.43 2pil s VAL 97 Ca 0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 2pil s VAL 97 Cb 0.00 -1.05 -0.14 0.00 0.00 0.00 0.00 36.38 35.19 2pil s VAL 97 CO 0.00 0.22 1.27 -3.20 0.00 0.00 0.00 175.10 173.39 2pil n ASN 98 N 2.35 2.23 0.09 3.32 2.85 -1.26 -4.78 115.26 120.06 2pil n ASN 98 Ca -0.16 1.16 0.04 0.00 -0.11 0.00 0.00 54.58 55.51 2pil n ASN 98 Cb 0.55 -1.37 0.44 0.00 1.24 0.00 0.00 39.78 40.64 2pil n ASN 98 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 2pil h ASN 99 N 3.38 0.30 0.57 1.20 -1.24 -1.99 -1.85 115.58 115.95 2pil h ASN 99 Ca -0.44 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.54 2pil h ASN 99 Cb 1.30 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.27 2pil h ASN 99 CO 0.70 0.31 0.00 -1.84 -1.29 0.00 0.00 177.43 175.30 2pil n GLU 100 N -4.41 0.08 -0.07 6.67 0.28 -1.26 -2.41 120.64 119.53 2pil n GLU 100 Ca 0.01 0.16 0.03 0.00 -0.16 0.00 0.00 57.16 57.19 2pil n GLU 100 Cb 0.15 -1.50 0.06 0.00 1.43 0.00 0.00 31.44 31.58 2pil n GLU 100 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 2pil n ILE 101 N -1.44 1.16 -2.66 3.84 -5.35 -0.74 -4.84 119.36 109.33 2pil n ILE 101 Ca 0.06 -1.19 -0.41 0.00 -0.27 0.00 0.00 62.75 60.94 2pil n ILE 101 Cb 0.20 0.38 -0.04 0.00 -1.74 0.00 0.00 39.64 38.44 2pil n ILE 101 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2pil s LYS 102 N -1.30 4.63 0.00 6.28 -2.85 -0.96 -2.89 119.74 122.64 2pil s LYS 102 Ca 0.11 1.52 0.00 0.00 -1.00 0.00 0.00 55.97 56.60 2pil s LYS 102 Cb 0.07 -3.37 0.00 0.00 -2.06 0.00 0.00 37.83 32.47 2pil s LYS 102 CO 0.04 0.09 0.00 0.41 0.10 0.00 0.00 175.35 175.99 2pil n GLY 103 N 2.44 0.44 4.01 0.59 0.00 0.10 -4.90 105.19 107.88 2pil n GLY 103 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 2pil n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pil s LYS 104 N -0.33 2.59 0.08 1.61 -0.14 -1.14 -4.51 119.74 117.90 2pil s LYS 104 Ca 0.00 -1.25 -0.02 0.00 -1.36 0.00 0.00 55.97 53.35 2pil s LYS 104 Cb 0.00 -2.66 -0.04 0.00 -1.68 0.00 0.00 37.83 33.45 2pil s LYS 104 CO 0.00 -0.55 0.02 -1.59 -0.76 0.00 0.00 175.35 172.46 2pil s LYS 105 N -4.54 0.74 0.30 1.68 -2.85 0.44 0.11 119.74 115.62 2pil s LYS 105 Ca 0.58 -1.28 0.02 0.00 -1.00 0.00 0.00 55.97 54.29 2pil s LYS 105 Cb -0.09 0.23 -0.05 0.00 -2.06 0.00 0.00 37.83 35.86 2pil s LYS 105 CO 0.36 -0.18 0.10 -0.48 0.10 0.00 0.00 175.35 175.26 2pil s LEU 106 N -2.96 1.79 -0.01 2.77 -0.00 -0.85 -1.31 118.68 118.10 2pil s LEU 106 Ca 0.13 -1.45 -0.05 0.00 -0.00 0.00 0.00 54.13 52.77 2pil s LEU 106 Cb 0.08 -0.04 0.00 0.00 -0.00 0.00 0.00 46.19 46.23 2pil s LEU 106 CO -0.06 -0.76 0.10 -0.44 -0.00 0.00 0.00 176.35 175.20 2pil s SER 107 N -3.39 0.02 -0.08 1.48 0.01 -0.24 -1.42 113.70 110.08 2pil s SER 107 Ca 0.36 -0.12 0.02 0.00 1.31 0.00 0.00 55.95 57.52 2pil s SER 107 Cb 0.07 0.20 -0.02 0.00 0.21 0.00 0.00 66.02 66.48 2pil s SER 107 CO 0.15 -0.25 -0.14 -0.76 0.41 0.00 0.00 173.24 172.64 2pil s LEU 108 N -0.94 2.69 0.15 2.44 1.02 -0.42 -1.52 118.68 122.11 2pil s LEU 108 Ca -0.10 -0.27 -0.04 0.00 0.02 0.00 0.00 54.13 53.74 2pil s LEU 108 Cb -0.06 -1.57 -0.03 0.00 0.02 0.00 0.00 46.19 44.56 2pil s LEU 108 CO 0.01 0.27 0.16 -1.66 0.02 0.00 0.00 176.35 175.14 2pil s TRP 109 N -0.26 0.68 0.33 0.29 -2.14 -0.86 -1.75 118.94 115.23 2pil s TRP 109 Ca 0.01 -1.04 0.04 0.00 2.66 0.00 0.00 56.10 57.77 2pil s TRP 109 Cb -0.13 -0.30 -0.06 0.00 -3.10 0.00 0.00 33.47 29.88 2pil s TRP 109 CO 0.03 -0.61 0.06 0.00 -2.66 0.00 0.00 176.95 173.77 2pil s ALA 110 N -4.02 2.42 0.05 2.67 0.00 -1.26 -0.96 121.76 120.66 2pil s ALA 110 Ca 0.22 -1.96 0.03 0.00 0.00 0.00 0.00 51.96 50.25 2pil s ALA 110 Cb 0.06 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.82 2pil s ALA 110 CO 0.02 -0.31 -0.10 0.50 0.00 0.00 0.00 175.76 175.86 2pil s ARG 111 N -3.88 0.66 -0.32 0.00 6.06 -0.61 -4.94 118.95 115.92 2pil s ARG 111 Ca 0.35 -0.79 -0.25 0.00 -2.50 0.00 0.00 55.73 52.54 2pil s ARG 111 Cb 0.08 -0.54 0.01 0.00 0.06 0.00 0.00 34.95 34.56 2pil s ARG 111 CO 0.15 0.12 0.87 -0.98 -2.50 0.00 0.00 175.30 172.96 2pil s ARG 112 N -1.50 3.96 -0.85 5.12 1.70 -1.26 -1.65 118.95 124.47 2pil s ARG 112 Ca -0.05 0.68 0.00 0.00 -0.47 0.00 0.00 55.73 55.89 2pil s ARG 112 Cb -0.09 -3.74 0.24 0.00 -0.57 0.00 0.00 34.95 30.78 2pil s ARG 112 CO 0.01 -0.78 0.89 -0.85 -1.08 0.00 0.00 175.30 173.49 2pil n GLU 113 N 6.44 2.90 0.00 3.89 0.28 0.93 -4.91 120.64 130.17 2pil n GLU 113 Ca 0.06 -4.55 0.00 0.00 -0.16 0.00 0.00 57.16 52.51 2pil n GLU 113 Cb 0.48 -2.38 0.00 0.00 1.43 0.00 0.00 31.44 30.97 2pil n GLU 113 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2pil n ASN 114 N 1.69 0.00 0.00 -1.84 3.02 -1.26 -1.19 115.26 115.67 2pil n ASN 114 Ca 0.25 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 2pil n ASN 114 Cb 0.37 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 2pil n ASN 114 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pil n GLY 115 N 0.00 2.18 2.34 7.41 0.00 -1.26 -5.06 105.19 110.80 2pil n GLY 115 Ca 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 2pil n GLY 115 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pil n SER 116 N 0.00 -0.81 -4.65 1.61 3.41 -0.34 -5.10 113.62 107.74 2pil n SER 116 Ca 0.00 -2.41 -0.27 0.00 -0.26 0.00 0.00 58.87 55.93 2pil n SER 116 Cb 0.00 1.59 -0.08 0.00 -0.26 0.00 0.00 64.21 65.46 2pil n SER 116 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2pil s VAL 117 N -2.79 3.64 -0.16 -3.33 -7.23 -1.26 -0.05 120.40 109.22 2pil s VAL 117 Ca 0.23 -1.44 0.02 0.00 -1.81 0.00 0.00 61.98 58.97 2pil s VAL 117 Cb 0.00 -2.82 0.01 0.00 0.56 0.00 0.00 36.38 34.13 2pil s VAL 117 CO 0.16 -0.10 -0.20 -0.75 -0.31 0.00 0.00 175.10 173.90 2pil s LYS 118 N -2.90 3.02 0.12 4.82 2.47 -0.66 -4.85 119.74 121.77 2pil s LYS 118 Ca 0.27 -0.84 -0.01 0.00 -1.56 0.00 0.00 55.97 53.83 2pil s LYS 118 Cb -0.09 -2.52 -0.04 0.00 -1.46 0.00 0.00 37.83 33.71 2pil s LYS 118 CO 0.18 -0.12 0.31 -1.58 0.16 0.00 0.00 175.35 174.30 2pil s TRP 119 N 1.07 3.49 0.15 4.03 0.52 -1.26 -1.57 118.94 125.36 2pil s TRP 119 Ca -0.01 0.35 0.05 0.00 0.02 0.00 0.00 56.10 56.51 2pil s TRP 119 Cb -0.14 -1.85 -0.04 0.00 -1.15 0.00 0.00 33.47 30.29 2pil s TRP 119 CO -0.08 0.49 -0.11 -0.06 0.02 0.00 0.00 176.95 177.22 2pil s PHE 120 N -1.65 1.31 -0.02 -1.98 0.08 -0.13 -4.97 117.98 110.61 2pil s PHE 120 Ca 0.38 -0.72 0.01 0.00 0.12 0.00 0.00 56.93 56.72 2pil s PHE 120 Cb -0.12 -0.66 0.01 0.00 -0.57 0.00 0.00 43.02 41.68 2pil s PHE 120 CO 0.27 0.11 -0.03 0.00 -0.10 0.00 0.00 175.22 175.47 2pil n GLY 122 N 3.52 -0.59 3.84 0.00 0.00 -0.57 -0.99 105.19 110.40 2pil n GLY 122 Ca -0.20 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 2pil n GLY 122 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pil s GLN 123 N -0.49 3.08 0.59 1.61 -0.21 -1.26 -1.08 119.66 121.90 2pil s GLN 123 Ca 0.00 0.80 -0.20 0.00 0.02 0.00 0.00 55.36 55.98 2pil s GLN 123 Cb 0.00 -2.02 -0.03 0.00 1.00 0.00 0.00 33.01 31.96 2pil s GLN 123 CO 0.00 -0.96 1.29 -2.30 -2.12 0.00 0.00 175.29 171.20 2pil n PRO 124 N -3.01 1.37 -4.01 2.91 -0.02 -1.26 -4.36 135.00 126.62 2pil n PRO 124 Ca 0.07 0.52 -0.10 0.00 -2.02 0.00 0.00 63.50 61.97 2pil n PRO 124 Cb 0.54 -2.51 -0.11 0.00 -0.02 0.00 0.00 33.50 31.40 2pil n PRO 124 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2pil s VAL 125 N -1.35 0.24 0.01 -1.45 0.11 -1.26 -0.97 120.40 115.73 2pil s VAL 125 Ca 0.77 -1.05 0.08 0.00 -2.93 0.00 0.00 61.98 58.85 2pil s VAL 125 Cb -0.40 -0.48 -0.02 0.00 -1.53 0.00 0.00 36.38 33.94 2pil s VAL 125 CO 0.45 -0.52 -0.24 0.42 -3.33 0.00 0.00 175.10 171.88 2pil s THR 126 N -1.69 1.96 -0.03 5.04 -4.23 0.11 -4.75 115.64 112.04 2pil s THR 126 Ca -0.12 -1.19 -0.30 0.00 -1.18 0.00 0.00 61.69 58.90 2pil s THR 126 Cb -0.08 -1.65 -0.03 0.00 1.34 0.00 0.00 72.50 72.07 2pil s THR 126 CO -0.01 0.42 1.16 -0.60 -0.54 0.00 0.00 174.62 175.05 2pil s ARG 127 N -0.91 4.39 -0.22 3.99 3.52 -1.26 -0.15 118.95 128.32 2pil s ARG 127 Ca 0.10 1.64 -0.21 0.00 -0.13 0.00 0.00 55.73 57.13 2pil s ARG 127 Cb -0.09 -3.51 -0.18 0.00 -1.56 0.00 0.00 34.95 29.61 2pil s ARG 127 CO 0.01 -0.36 0.14 2.41 -0.81 0.00 0.00 175.30 176.69 2pil n THR 128 N 4.42 1.53 -4.00 4.11 -1.04 0.09 -4.92 114.28 114.47 2pil n THR 128 Ca 0.10 -0.06 -0.03 0.00 -2.04 0.00 0.00 64.05 62.02 2pil n THR 128 Cb 0.47 -2.03 -0.01 0.00 -1.82 0.00 0.00 70.33 66.94 2pil n THR 128 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2pil n ASP 129 N -4.42 -0.12 0.00 8.00 5.68 -1.09 -4.96 116.55 119.64 2pil n ASP 129 Ca -0.34 -1.34 0.04 0.00 -0.50 0.00 0.00 54.79 52.65 2pil n ASP 129 Cb 0.70 0.28 0.19 0.00 -1.14 0.00 0.00 41.12 41.15 2pil n ASP 129 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2pil n ASP 130 N -2.70 0.00 0.00 -1.12 9.92 -1.26 -2.36 116.55 119.02 2pil n ASP 130 Ca 0.01 0.41 0.00 0.00 -0.53 0.00 0.00 54.79 54.68 2pil n ASP 130 Cb 0.10 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.13 2pil n ASP 130 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2pil n ASP 131 N -1.44 0.57 -4.26 -2.24 8.00 -1.26 -4.79 116.55 111.12 2pil n ASP 131 Ca 0.03 -0.98 -0.25 0.00 0.71 0.00 0.00 54.79 54.29 2pil n ASP 131 Cb 0.09 0.02 -0.14 0.00 -0.02 0.00 0.00 41.12 41.07 2pil n ASP 131 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2pil s THR 132 N -0.02 1.69 0.31 -3.53 -4.23 -1.00 -4.98 115.64 103.89 2pil s THR 132 Ca 0.00 -1.27 0.10 0.00 -1.18 0.00 0.00 61.69 59.34 2pil s THR 132 Cb 0.00 -1.49 -0.06 0.00 1.34 0.00 0.00 72.50 72.30 2pil s THR 132 CO 0.00 0.16 -0.13 0.68 -0.54 0.00 0.00 174.62 174.79 2pil s VAL 133 N -0.87 2.28 0.11 2.29 -7.23 -1.26 -0.73 120.40 114.99 2pil s VAL 133 Ca 0.07 -2.28 0.04 0.00 -1.81 0.00 0.00 61.98 58.01 2pil s VAL 133 Cb -0.09 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 2pil s VAL 133 CO 0.02 -0.29 -0.10 0.00 -0.31 0.00 0.00 175.10 174.42 2pil s ALA 134 N -2.61 1.21 0.20 1.32 0.00 0.79 -4.78 121.76 117.88 2pil s ALA 134 Ca 0.31 -1.28 -0.30 0.00 0.00 0.00 0.00 51.96 50.68 2pil s ALA 134 Cb -0.00 0.04 -0.09 0.00 0.00 0.00 0.00 23.12 23.06 2pil s ALA 134 CO 0.15 -0.06 1.37 -0.51 0.00 0.00 0.00 175.76 176.71 2pil s ASP 135 N -2.67 6.81 -0.70 0.00 1.01 -1.26 0.06 116.67 119.91 2pil s ASP 135 Ca 0.09 2.46 0.04 0.00 0.71 0.00 0.00 52.55 55.85 2pil s ASP 135 Cb -0.01 -2.61 0.31 0.00 1.01 0.00 0.00 42.92 41.62 2pil s ASP 135 CO -0.00 -0.60 1.05 0.00 0.21 0.00 0.00 175.17 175.83 2pil n ALA 136 N 2.84 4.74 -2.69 5.23 0.00 -0.15 -4.76 120.51 125.72 2pil n ALA 136 Ca 0.08 -4.73 -0.39 0.00 0.00 0.00 0.00 53.44 48.39 2pil n ALA 136 Cb 0.42 -1.11 -0.11 0.00 0.00 0.00 0.00 19.45 18.65 2pil n ALA 136 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2pil s LYS 137 N -3.24 3.45 0.00 0.00 1.02 -1.26 -4.62 119.74 115.09 2pil s LYS 137 Ca 0.43 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.76 2pil s LYS 137 Cb 0.21 -3.69 0.00 0.00 -0.52 0.00 0.00 37.83 33.83 2pil s LYS 137 CO -0.08 -0.42 0.95 -0.40 -0.92 0.00 0.00 175.35 174.48 2pil n ASP 138 N 5.05 1.83 0.00 2.83 5.75 -1.26 -4.97 116.55 125.78 2pil n ASP 138 Ca -0.13 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 2pil n ASP 138 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 2pil n ASP 138 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pil n GLY 139 N -0.45 0.41 1.27 6.12 0.00 -1.26 -4.93 105.19 106.34 2pil n GLY 139 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2pil n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pil n LYS 140 N -2.00 3.66 -2.93 1.61 5.02 -1.26 -5.00 118.16 117.27 2pil n LYS 140 Ca 0.00 -2.96 -0.36 0.00 -2.02 0.00 0.00 58.31 52.97 2pil n LYS 140 Cb 0.00 -2.00 -0.06 0.00 -0.02 0.00 0.00 35.03 32.94 2pil n LYS 140 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2pil s GLU 141 N -2.80 4.39 0.27 1.97 1.03 -1.26 -0.42 118.70 121.88 2pil s GLU 141 Ca 0.47 1.09 -0.29 0.00 0.03 0.00 0.00 54.97 56.27 2pil s GLU 141 Cb 0.37 -2.74 -0.10 0.00 -0.80 0.00 0.00 34.13 30.86 2pil s GLU 141 CO 0.12 0.28 1.36 0.42 -1.33 0.00 0.00 175.26 176.11 2pil s ILE 142 N -1.67 2.77 0.72 1.83 -1.09 -0.43 -4.70 121.20 118.65 2pil s ILE 142 Ca 0.49 0.69 -0.15 0.00 -2.23 0.00 0.00 60.65 59.46 2pil s ILE 142 Cb -0.16 -3.44 0.04 0.00 -1.58 0.00 0.00 42.46 37.31 2pil s ILE 142 CO 0.21 0.13 1.19 -1.81 -1.23 0.00 0.00 174.94 173.43 2pil s ASP 143 N 0.01 4.31 0.23 3.58 1.01 -1.26 -4.90 116.67 119.65 2pil s ASP 143 Ca 0.55 2.29 -0.07 0.00 0.71 0.00 0.00 52.55 56.03 2pil s ASP 143 Cb -0.40 -2.58 0.20 0.00 1.01 0.00 0.00 42.92 41.15 2pil s ASP 143 CO 0.46 -2.18 1.82 0.74 0.21 0.00 0.00 175.17 176.22 2pil h THR 144 N -0.30 1.26 0.00 -1.27 2.02 -1.96 -2.70 112.91 109.96 2pil h THR 144 Ca -0.47 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 65.96 2pil h THR 144 Cb 1.29 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 2pil h THR 144 CO 0.50 0.32 0.15 0.07 0.37 0.00 0.00 175.52 176.93 2pil h LYS 145 N 1.18 0.00 -0.01 6.66 2.10 -2.01 -1.94 116.57 122.54 2pil h LYS 145 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 2pil h LYS 145 Cb 0.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 2pil h LYS 145 CO -0.03 0.00 -0.33 0.72 -2.00 0.00 0.00 179.45 177.81 2pil n HIS 146 N -2.72 0.00 -2.93 0.07 8.25 -1.02 -4.94 115.22 111.93 2pil n HIS 146 Ca -0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.04 2pil n HIS 146 Cb 0.20 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.27 2pil n HIS 146 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2pil s LEU 147 N -2.08 4.38 0.76 2.41 2.01 -0.73 -4.61 118.68 120.84 2pil s LEU 147 Ca 0.16 1.41 -0.16 0.00 0.01 0.00 0.00 54.13 55.55 2pil s LEU 147 Cb 0.14 -3.27 -0.06 0.00 0.01 0.00 0.00 46.19 43.02 2pil s LEU 147 CO 0.42 -0.10 0.25 -2.65 1.01 0.00 0.00 176.35 175.28 2pil n PRO 148 N 3.41 0.14 0.18 1.29 -0.02 -1.26 -4.88 135.00 133.85 2pil n PRO 148 Ca 0.00 0.08 0.13 0.00 -2.02 0.00 0.00 63.50 61.69 2pil n PRO 148 Cb 0.51 -1.62 0.60 0.00 -0.02 0.00 0.00 33.50 32.97 2pil n PRO 148 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2pil h SER 149 N -0.58 0.00 1.18 2.55 4.64 -1.97 -0.71 113.55 118.67 2pil h SER 149 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2pil h SER 149 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2pil h SER 149 CO 0.39 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.70 2pil n THR 150 N -2.44 0.59 -3.28 2.95 -2.24 -1.26 -4.14 114.28 104.46 2pil n THR 150 Ca 0.01 -0.10 -0.26 0.00 -2.27 0.00 0.00 64.05 61.43 2pil n THR 150 Cb 0.19 -0.73 -0.07 0.00 -2.10 0.00 0.00 70.33 67.62 2pil n THR 150 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pil n ARG 152 N 0.80 0.51 -2.70 0.00 5.12 -1.15 -4.37 116.66 114.88 2pil n ARG 152 Ca 0.27 -1.88 -0.41 0.00 -1.93 0.00 0.00 57.85 53.90 2pil n ARG 152 Cb 0.46 -0.78 -0.04 0.00 -1.16 0.00 0.00 32.46 30.94 2pil n ARG 152 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2pil s ASP 153 N -1.95 7.45 0.51 0.55 1.01 -0.16 -4.97 116.67 119.11 2pil s ASP 153 Ca 0.20 1.81 -0.06 0.00 0.71 0.00 0.00 52.55 55.20 2pil s ASP 153 Cb 0.20 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 2pil s ASP 153 CO -0.04 -0.12 0.83 0.20 0.21 0.00 0.00 175.17 176.25 2pil s ASN 154 N 0.17 6.24 0.46 0.27 0.02 -1.26 -4.26 114.94 116.58 2pil s ASN 154 Ca 0.48 1.00 0.28 0.00 -1.02 0.00 0.00 52.86 53.60 2pil s ASN 154 Cb -0.24 -2.27 1.34 0.00 0.02 0.00 0.00 41.25 40.10 2pil s ASN 154 CO 0.30 -0.64 1.74 2.19 0.02 0.00 0.00 177.10 180.71 2pil h PHE 155 N 0.12 0.40 -0.39 2.20 -0.00 -1.92 0.48 116.94 117.84 2pil h PHE 155 Ca -0.46 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 57.52 2pil h PHE 155 Cb 1.20 -0.11 0.00 0.00 -0.00 0.00 0.00 35.95 37.04 2pil h PHE 155 CO 0.59 -0.02 0.00 -0.40 -0.00 0.00 0.00 178.31 178.48 2pil n ASP 156 N -4.48 2.96 -4.59 -0.68 5.75 -1.26 -4.61 116.55 109.64 2pil n ASP 156 Ca 0.29 -1.93 -0.37 0.00 -0.01 0.00 0.00 54.79 52.77 2pil n ASP 156 Cb 1.17 -0.25 0.07 0.00 -1.03 0.00 0.00 41.12 41.08 2pil n ASP 156 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pil n ALA 157 N 1.15 -0.28 -1.73 2.12 0.00 0.16 -5.16 120.51 116.77 2pil n ALA 157 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2pil n ALA 157 Cb 0.51 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.89 2pil n ALA 157 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13