#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wlo s VAL 2 N 0.00 0.97 1.03 1.12 -7.23 -1.26 -1.79 120.40 113.24 1wlo s VAL 2 Ca 0.00 -2.02 -0.16 0.00 -1.81 0.00 0.00 61.98 57.99 1wlo s VAL 2 Cb 0.00 -2.10 0.21 0.00 0.56 0.00 0.00 36.38 35.05 1wlo s VAL 2 CO 0.00 -0.52 1.20 -2.16 -0.31 0.00 0.00 175.10 173.30 1wlo s PRO 3 N -3.84 0.13 -0.07 4.82 0.04 -1.26 -4.84 135.00 129.99 1wlo s PRO 3 Ca 0.23 -0.09 -0.15 0.00 0.04 0.00 0.00 61.00 61.03 1wlo s PRO 3 Cb 0.05 -1.76 -0.11 0.00 0.04 0.00 0.00 34.50 32.72 1wlo s PRO 3 CO 0.04 -2.81 0.58 -1.00 0.04 0.00 0.00 177.00 173.86 1wlo h PRO 4 N -1.93 -0.23 -1.14 0.56 0.13 -1.97 -0.32 132.00 127.10 1wlo h PRO 4 Ca -0.46 0.02 0.39 0.00 -0.87 0.00 0.00 66.00 65.07 1wlo h PRO 4 Cb 1.28 0.05 -0.11 0.00 0.13 0.00 0.00 31.00 32.36 1wlo h PRO 4 CO 0.43 0.08 0.74 1.63 -0.23 0.00 0.00 178.00 180.66 1wlo n LYS 5 N -4.92 -0.03 -0.03 0.86 4.76 -1.26 0.20 118.16 117.74 1wlo n LYS 5 Ca -0.06 1.00 -0.01 0.00 -2.87 0.00 0.00 58.31 56.37 1wlo n LYS 5 Cb 0.21 -1.99 -0.00 0.00 -1.84 0.00 0.00 35.03 31.40 1wlo n LYS 5 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1wlo h LEU 6 N 0.00 0.00 -1.88 -0.35 6.46 -1.58 -2.82 115.31 115.14 1wlo h LEU 6 Ca 0.71 0.00 0.55 0.00 -0.12 0.00 0.00 57.88 59.02 1wlo h LEU 6 Cb 2.34 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 42.18 1wlo h LEU 6 CO -0.35 0.27 1.30 0.50 -0.62 0.00 0.00 178.44 179.54 1wlo h LYS 7 N -0.42 0.00 0.26 1.25 1.63 0.10 0.58 116.57 119.98 1wlo h LYS 7 Ca 0.00 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1wlo h LYS 7 Cb 0.12 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1wlo h LYS 7 CO 0.00 0.00 -0.13 0.37 -3.45 0.00 0.00 179.45 176.25 1wlo h GLN 8 N 0.00 -0.34 -1.19 1.90 -0.00 0.20 0.13 115.11 115.81 1wlo h GLN 8 Ca 0.91 0.02 0.35 0.00 -0.00 0.00 0.00 58.65 59.93 1wlo h GLN 8 Cb 3.54 0.08 -0.09 0.00 0.00 0.00 0.00 27.48 31.00 1wlo h GLN 8 CO -0.10 -0.17 0.80 0.00 0.00 0.00 0.00 178.83 179.36 1wlo h ALA 9 N -0.99 2.65 0.22 3.38 0.00 0.32 1.06 119.26 125.90 1wlo h ALA 9 Ca -0.04 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1wlo h ALA 9 Cb 0.33 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1wlo h ALA 9 CO 0.06 -1.11 -0.11 -0.07 0.00 0.00 0.00 179.25 178.02 1wlo h LEU 10 N 0.20 -0.25 -0.46 0.00 3.38 -0.88 -2.57 115.31 114.72 1wlo h LEU 10 Ca 0.67 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.61 1wlo h LEU 10 Cb 2.08 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 42.81 1wlo h LEU 10 CO -0.25 0.25 -0.12 -0.33 0.09 0.00 0.00 178.44 178.08 1wlo h GLU 11 N -1.04 0.00 0.01 1.13 5.08 0.12 -0.82 114.58 119.06 1wlo h GLU 11 Ca -0.03 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1wlo h GLU 11 Cb 0.36 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1wlo h GLU 11 CO 0.05 0.00 -0.02 1.25 -1.00 0.00 0.00 179.01 179.29 1wlo h LEU 12 N 0.00 -0.06 -0.88 1.33 7.12 0.95 0.45 115.31 124.22 1wlo h LEU 12 Ca 0.22 0.01 0.09 0.00 0.13 0.00 0.00 57.88 58.32 1wlo h LEU 12 Cb 0.34 0.02 -0.11 0.00 -0.53 0.00 0.00 40.66 40.38 1wlo h LEU 12 CO -0.48 -0.02 -0.50 0.33 -0.13 0.00 0.00 178.44 177.65 1wlo n PHE 13 N -2.52 -0.34 -0.33 1.25 7.35 -0.97 0.21 117.46 122.12 1wlo n PHE 13 Ca -0.00 1.09 0.08 0.00 -0.76 0.00 0.00 57.45 57.86 1wlo n PHE 13 Cb 0.02 -0.60 0.25 0.00 0.35 0.00 0.00 39.48 39.49 1wlo n PHE 13 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1wlo h LYS 14 N 0.00 0.76 -0.22 -4.13 3.64 -0.91 0.25 116.57 115.97 1wlo h LYS 14 Ca 0.16 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.38 1wlo h LYS 14 Cb 0.38 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1wlo h LYS 14 CO -0.83 0.50 -0.36 1.03 -2.27 0.00 0.00 179.45 177.53 1wlo h SER 15 N 0.78 0.50 -4.18 4.20 0.87 0.73 -3.44 113.55 113.01 1wlo h SER 15 Ca 0.50 -0.20 -0.52 0.00 -1.23 0.00 0.00 61.79 60.33 1wlo h SER 15 Cb 0.64 -0.14 0.14 0.00 -0.44 0.00 0.00 62.40 62.60 1wlo h SER 15 CO -0.33 0.82 0.39 -0.76 -0.53 0.00 0.00 176.83 176.42 1wlo s LEU 16 N -8.51 3.36 0.23 2.23 1.43 0.51 -4.97 118.68 112.96 1wlo s LEU 16 Ca -0.07 2.24 -0.30 0.00 -1.03 0.00 0.00 54.13 54.97 1wlo s LEU 16 Cb 0.13 -4.58 -0.09 0.00 0.03 0.00 0.00 46.19 41.69 1wlo s LEU 16 CO 0.80 -2.02 1.10 -2.16 0.23 0.00 0.00 176.35 174.30 1wlo s PRO 17 N -3.94 4.63 0.00 1.29 0.04 -1.26 -4.71 135.00 131.05 1wlo s PRO 17 Ca 0.72 1.76 -0.00 0.00 0.04 0.00 0.00 61.00 63.51 1wlo s PRO 17 Cb -0.26 -3.23 -0.00 0.00 0.04 0.00 0.00 34.50 31.04 1wlo s PRO 17 CO 0.43 0.16 0.74 0.36 0.04 0.00 0.00 177.00 178.73 1wlo n LYS 18 N 1.77 -0.00 -0.28 4.56 2.85 -1.26 0.18 118.16 125.97 1wlo n LYS 18 Ca 0.01 0.74 -0.02 0.00 -1.05 0.00 0.00 58.31 57.98 1wlo n LYS 18 Cb 0.45 -1.11 0.01 0.00 -0.65 0.00 0.00 35.03 33.73 1wlo n LYS 18 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1wlo n GLU 19 N -2.75 -0.20 0.08 -1.58 0.28 -1.26 0.13 120.64 115.34 1wlo n GLU 19 Ca 0.00 1.10 -0.13 0.00 -0.16 0.00 0.00 57.16 57.97 1wlo n GLU 19 Cb 0.00 -1.63 -0.08 0.00 1.43 0.00 0.00 31.44 31.16 1wlo n GLU 19 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1wlo h LEU 20 N 0.00 -0.14 -0.89 -1.84 3.38 -0.15 -3.04 115.31 112.62 1wlo h LEU 20 Ca 0.22 -0.13 0.13 0.00 0.09 0.00 0.00 57.88 58.19 1wlo h LEU 20 Cb 0.40 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.04 1wlo h LEU 20 CO -0.71 0.04 -0.42 0.03 0.09 0.00 0.00 178.44 177.48 1wlo h ARG 21 N -0.32 -0.05 -1.52 1.13 3.08 1.01 1.54 114.38 119.25 1wlo h ARG 21 Ca -0.02 0.00 0.48 0.00 0.07 0.00 0.00 59.98 60.51 1wlo h ARG 21 Cb 0.26 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.21 1wlo h ARG 21 CO 0.03 -0.03 1.04 1.03 -1.07 0.00 0.00 179.97 180.96 1wlo h SER 22 N -0.05 0.14 -0.01 7.04 0.87 -0.47 1.09 113.55 122.16 1wlo h SER 22 Ca 0.28 0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.88 1wlo h SER 22 Cb 0.56 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1wlo h SER 22 CO -0.90 -0.12 -0.19 1.56 -0.53 0.00 0.00 176.83 176.65 1wlo h GLN 23 N 0.04 0.15 -0.15 2.24 4.20 0.21 -3.11 115.11 118.70 1wlo h GLN 23 Ca 0.85 -0.14 0.02 0.00 0.06 0.00 0.00 58.65 59.44 1wlo h GLN 23 Cb 2.96 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 30.73 1wlo h GLN 23 CO -0.27 0.85 -0.39 0.28 -0.67 0.00 0.00 178.83 178.64 1wlo h VAL 24 N -0.50 0.00 -0.95 -0.54 2.07 0.19 0.99 116.25 117.51 1wlo h VAL 24 Ca -0.02 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.80 1wlo h VAL 24 Cb 0.91 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.52 1wlo h VAL 24 CO 0.04 0.00 0.31 -0.07 0.02 0.00 0.00 177.57 177.87 1wlo h LEU 25 N -0.37 0.06 -0.21 2.57 3.38 -1.41 1.07 115.31 120.40 1wlo h LEU 25 Ca 0.03 0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 1wlo h LEU 25 Cb 0.46 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1wlo h LEU 25 CO -0.34 -0.25 0.01 -0.07 0.09 0.00 0.00 178.44 177.88 1wlo h LEU 26 N 0.15 0.35 0.23 1.67 3.38 -0.58 -2.84 115.31 117.67 1wlo h LEU 26 Ca 0.66 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 58.35 1wlo h LEU 26 Cb 1.47 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.09 1wlo h LEU 26 CO -0.73 0.55 -0.38 -0.33 0.09 0.00 0.00 178.44 177.65 1wlo h GLU 27 N 0.13 -0.65 -0.82 1.13 5.08 0.86 -0.22 114.58 120.09 1wlo h GLU 27 Ca 0.06 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.60 1wlo h GLU 27 Cb 0.37 0.15 -0.14 0.00 0.50 0.00 0.00 28.75 29.62 1wlo h GLU 27 CO 0.01 -0.44 -0.33 1.88 -1.00 0.00 0.00 179.01 179.13 1wlo h TYR 28 N -0.68 -0.89 -0.22 4.33 -1.99 -0.37 1.72 116.97 118.87 1wlo h TYR 28 Ca 0.00 0.09 -0.00 0.00 2.00 0.00 0.00 58.73 60.82 1wlo h TYR 28 Cb 0.66 0.51 -0.01 0.00 2.00 0.00 0.00 36.73 39.90 1wlo h TYR 28 CO -0.28 -0.39 0.12 0.00 -0.00 0.00 0.00 178.16 177.61 1wlo h ALA 29 N 1.34 1.80 0.00 3.88 0.00 -1.20 0.67 119.26 125.75 1wlo h ALA 29 Ca 0.32 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 1wlo h ALA 29 Cb 0.59 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1wlo h ALA 29 CO -0.86 0.18 -0.58 0.00 0.00 0.00 0.00 179.25 177.99 1wlo h ALA 30 N 1.83 1.01 -0.78 0.00 0.00 0.40 -3.01 119.26 118.71 1wlo h ALA 30 Ca 0.08 -0.52 -0.59 0.00 0.00 0.00 0.00 54.91 53.87 1wlo h ALA 30 Cb 0.01 -0.09 -0.23 0.00 0.00 0.00 0.00 17.79 17.48 1wlo h ALA 30 CO -0.01 0.72 0.72 1.63 0.00 0.00 0.00 179.25 182.31 1wlo n LYS 31 N -3.80 2.46 -3.61 0.00 4.01 0.23 -4.75 118.16 112.71 1wlo n LYS 31 Ca -0.01 -2.78 -0.29 0.00 -0.51 0.00 0.00 58.31 54.71 1wlo n LYS 31 Cb 0.59 -2.12 -0.14 0.00 -0.51 0.00 0.00 35.03 32.86 1wlo n LYS 31 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1wlo s VAL 32 N -3.76 0.48 0.71 -0.18 1.01 -1.14 -4.91 120.40 112.61 1wlo s VAL 32 Ca 0.53 -1.44 -0.11 0.00 0.00 0.00 0.00 61.98 60.96 1wlo s VAL 32 Cb 0.41 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 35.43 1wlo s VAL 32 CO -0.18 -0.80 1.06 -2.16 0.00 0.00 0.00 175.10 173.03 1wlo s PRO 33 N 1.45 2.83 0.61 2.72 0.04 -1.26 -5.04 135.00 136.36 1wlo s PRO 33 Ca 0.13 0.91 -0.14 0.00 0.04 0.00 0.00 61.00 61.93 1wlo s PRO 33 Cb -0.19 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 1wlo s PRO 33 CO -0.19 -1.17 1.05 -1.25 0.04 0.00 0.00 177.00 175.49 1wlo s PRO 34 N -5.06 3.27 0.71 0.56 0.04 -1.26 -4.58 135.00 128.68 1wlo s PRO 34 Ca 0.58 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.63 1wlo s PRO 34 Cb -0.14 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.39 1wlo s PRO 34 CO 0.55 -0.84 1.07 -1.25 0.04 0.00 0.00 177.00 176.57 1wlo s PRO 35 N -4.34 2.79 0.79 0.56 0.04 -1.26 -4.99 135.00 128.59 1wlo s PRO 35 Ca 0.62 0.90 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 1wlo s PRO 35 Cb -0.15 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.48 1wlo s PRO 35 CO 0.41 -1.19 1.09 -1.25 0.04 0.00 0.00 177.00 176.11 1wlo s PRO 36 N -5.07 2.15 0.00 0.56 0.04 -1.26 -4.92 135.00 126.50 1wlo s PRO 36 Ca 0.58 0.66 0.23 0.00 0.04 0.00 0.00 61.00 62.52 1wlo s PRO 36 Cb -0.14 -1.92 1.39 0.00 0.04 0.00 0.00 34.50 33.86 1wlo s PRO 36 CO 0.55 -1.58 1.76 -0.35 0.04 0.00 0.00 177.00 177.43 1wlo n PRO 37 N -3.41 0.75 -2.70 0.56 -0.04 -1.26 -3.49 135.00 125.41 1wlo n PRO 37 Ca 0.07 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.25 1wlo n PRO 37 Cb 0.56 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 1wlo n PRO 37 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wlo n GLY 38 N 0.50 5.79 3.60 0.55 0.00 -1.26 -5.00 105.19 109.37 1wlo n GLY 38 Ca 0.17 -2.75 -0.14 0.00 0.00 0.00 0.00 46.02 43.30 1wlo n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wlo s VAL 39 N -4.89 0.00 -0.16 1.61 0.11 -1.23 -5.15 120.40 110.69 1wlo s VAL 39 Ca 0.48 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.51 1wlo s VAL 39 Cb 0.33 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 34.16 1wlo s VAL 39 CO -0.17 0.00 -0.09 -0.70 -3.33 0.00 0.00 175.10 170.81 1wlo s GLU 40 N -0.17 3.45 0.17 1.54 2.12 -1.26 -4.95 118.70 119.60 1wlo s GLU 40 Ca -0.03 -0.63 0.05 0.00 0.36 0.00 0.00 54.97 54.72 1wlo s GLU 40 Cb -0.03 -2.80 -0.04 0.00 0.26 0.00 0.00 34.13 31.52 1wlo s GLU 40 CO 0.02 0.11 0.16 -0.51 -0.54 0.00 0.00 175.26 174.50 1wlo s LEU 41 N 0.65 3.86 -0.21 2.70 1.43 -1.26 -4.82 118.68 121.03 1wlo s LEU 41 Ca -0.05 -0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1wlo s LEU 41 Cb -0.15 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.63 1wlo s LEU 41 CO 0.02 0.06 -0.12 -0.70 0.23 0.00 0.00 176.35 175.85 1wlo s GLU 42 N -3.17 3.07 0.37 1.70 2.12 -1.00 -4.90 118.70 116.89 1wlo s GLU 42 Ca 0.31 -0.80 -0.27 0.00 0.36 0.00 0.00 54.97 54.57 1wlo s GLU 42 Cb -0.10 -2.81 -0.11 0.00 0.26 0.00 0.00 34.13 31.37 1wlo s GLU 42 CO 0.24 -0.25 1.21 -2.13 -0.54 0.00 0.00 175.26 173.78 1wlo n ARG 43 N 4.68 1.85 -3.29 4.30 0.63 -1.26 -3.49 116.66 120.09 1wlo n ARG 43 Ca -0.19 0.65 -0.46 0.00 -0.92 0.00 0.00 57.85 56.93 1wlo n ARG 43 Cb 0.49 -2.25 -0.03 0.00 0.45 0.00 0.00 32.46 31.13 1wlo n ARG 43 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1wlo s VAL 44 N -1.15 5.42 0.34 5.15 1.01 -0.76 -4.88 120.40 125.53 1wlo s VAL 44 Ca 0.59 -2.11 0.02 0.00 0.00 0.00 0.00 61.98 60.48 1wlo s VAL 44 Cb -0.56 -4.46 0.23 0.00 0.00 0.00 0.00 36.38 31.59 1wlo s VAL 44 CO 0.60 -1.02 1.96 0.45 0.00 0.00 0.00 175.10 177.08 1wlo h HIS 45 N 8.19 0.74 -0.22 5.22 3.86 -1.91 -0.53 115.15 130.51 1wlo h HIS 45 Ca -0.01 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.25 1wlo h HIS 45 Cb 1.06 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.28 1wlo h HIS 45 CO 0.96 0.53 0.35 0.93 0.86 0.00 0.00 177.93 181.56 1wlo h GLU 46 N 0.77 0.00 -6.15 2.45 4.39 -1.93 -3.40 114.58 110.72 1wlo h GLU 46 Ca 0.19 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.36 1wlo h GLU 46 Cb 0.05 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 1wlo h GLU 46 CO -0.03 0.00 -0.50 0.00 -1.16 0.00 0.00 179.01 177.32 1wlo n GLN 48 N -0.73 0.00 -0.67 0.00 6.02 -1.26 -4.82 117.38 115.91 1wlo n GLN 48 Ca -0.08 0.10 -0.31 0.00 -0.01 0.00 0.00 57.00 56.70 1wlo n GLN 48 Cb 0.55 -0.97 0.17 0.00 1.02 0.00 0.00 30.24 31.02 1wlo n GLN 48 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1wlo n THR 49 N -0.81 0.00 -2.33 5.09 -2.24 -1.26 -4.82 114.28 107.90 1wlo n THR 49 Ca 0.00 -0.07 -0.36 0.00 -2.27 0.00 0.00 64.05 61.35 1wlo n THR 49 Cb 0.00 -0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 67.27 1wlo n THR 49 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1wlo s PRO 50 N -4.44 3.26 -0.57 -0.78 0.04 -1.26 -4.78 135.00 126.46 1wlo s PRO 50 Ca 0.65 -1.59 -0.22 0.00 0.04 0.00 0.00 61.00 59.88 1wlo s PRO 50 Cb -0.23 -5.39 0.06 0.00 0.04 0.00 0.00 34.50 28.97 1wlo s PRO 50 CO 0.60 -3.10 0.87 0.12 0.04 0.00 0.00 177.00 175.54 1wlo s PHE 51 N 7.54 2.82 -0.12 0.56 5.36 -1.26 -4.65 117.98 128.23 1wlo s PHE 51 Ca 0.61 -0.31 -0.19 0.00 -0.96 0.00 0.00 56.93 56.08 1wlo s PHE 51 Cb 0.02 -4.02 -0.04 0.00 -0.34 0.00 0.00 43.02 38.64 1wlo s PHE 51 CO 0.10 -1.37 0.53 -0.06 -1.46 0.00 0.00 175.22 172.96 1wlo s PHE 52 N 3.66 3.50 0.09 10.12 0.08 -1.18 -1.83 117.98 132.42 1wlo s PHE 52 Ca 0.24 0.94 0.02 0.00 0.12 0.00 0.00 56.93 58.26 1wlo s PHE 52 Cb -0.16 -2.62 -0.04 0.00 -0.57 0.00 0.00 43.02 39.64 1wlo s PHE 52 CO 0.15 0.11 -0.07 0.14 -0.10 0.00 0.00 175.22 175.45 1wlo s VAL 53 N 0.82 0.69 -0.25 -0.44 -7.23 -1.23 -2.15 120.40 110.61 1wlo s VAL 53 Ca 0.28 -1.74 -0.18 0.00 -1.81 0.00 0.00 61.98 58.53 1wlo s VAL 53 Cb -0.16 -1.45 0.07 0.00 0.56 0.00 0.00 36.38 35.41 1wlo s VAL 53 CO 0.12 -0.75 0.64 -2.28 -0.31 0.00 0.00 175.10 172.52 1wlo s HIS 54 N -3.08 -0.87 -0.06 2.82 5.04 -0.84 -2.38 115.29 115.92 1wlo s HIS 54 Ca 0.07 1.88 0.05 0.00 -1.54 0.00 0.00 55.06 55.52 1wlo s HIS 54 Cb 0.02 0.43 -0.01 0.00 0.04 0.00 0.00 32.58 33.06 1wlo s HIS 54 CO -0.03 -0.43 -0.23 0.00 -2.34 0.00 0.00 174.74 171.71 1wlo s ALA 55 N 1.08 1.99 0.26 1.58 0.00 -1.26 -2.24 121.76 123.17 1wlo s ALA 55 Ca -0.06 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1wlo s ALA 55 Cb -0.05 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1wlo s ALA 55 CO -0.10 0.35 0.18 -0.51 0.00 0.00 0.00 175.76 175.68 1wlo s ASP 56 N 0.01 0.85 -0.08 0.00 1.11 -0.77 -4.51 116.67 113.28 1wlo s ASP 56 Ca -0.07 -1.53 -0.00 0.00 0.18 0.00 0.00 52.55 51.12 1wlo s ASP 56 Cb -0.14 0.44 0.02 0.00 1.07 0.00 0.00 42.92 44.31 1wlo s ASP 56 CO 0.04 -0.92 -0.05 -0.69 1.18 0.00 0.00 175.17 174.74 1wlo s VAL 57 N -3.85 0.74 -0.23 -1.27 1.01 -1.26 0.93 120.40 116.48 1wlo s VAL 57 Ca 0.39 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 1wlo s VAL 57 Cb 0.05 -0.80 0.12 0.00 0.00 0.00 0.00 36.38 35.76 1wlo s VAL 57 CO 0.18 0.31 0.37 -1.61 0.00 0.00 0.00 175.10 174.35 1wlo s GLU 58 N 1.61 0.33 0.00 2.72 0.41 -0.61 -4.85 118.70 118.30 1wlo s GLU 58 Ca 0.01 0.62 0.00 0.00 -0.41 0.00 0.00 54.97 55.19 1wlo s GLU 58 Cb -0.13 -0.34 0.00 0.00 -1.78 0.00 0.00 34.13 31.88 1wlo s GLU 58 CO -0.05 -0.56 0.00 0.41 -0.49 0.00 0.00 175.26 174.57 1wlo n GLY 59 N 5.37 0.68 1.69 -1.39 0.00 -1.26 -3.59 105.19 106.69 1wlo n GLY 59 Ca -0.05 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1wlo n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wlo n GLY 60 N -2.55 1.19 3.94 -0.02 0.00 -1.26 -5.03 105.19 101.46 1wlo n GLY 60 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1wlo n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wlo s LYS 61 N -0.44 2.47 -0.17 1.61 -2.85 -1.24 -4.48 119.74 114.65 1wlo s LYS 61 Ca 0.00 -1.61 -0.04 0.00 -1.00 0.00 0.00 55.97 53.32 1wlo s LYS 61 Cb 0.00 -2.45 -0.02 0.00 -2.06 0.00 0.00 37.83 33.30 1wlo s LYS 61 CO 0.00 -0.45 -0.03 0.14 0.10 0.00 0.00 175.35 175.11 1wlo s VAL 62 N -2.56 3.82 -0.23 1.79 -7.23 0.19 -1.58 120.40 114.60 1wlo s VAL 62 Ca 0.49 -0.37 -0.22 0.00 -1.81 0.00 0.00 61.98 60.07 1wlo s VAL 62 Cb -0.05 -2.69 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 1wlo s VAL 62 CO 0.30 0.47 0.70 -0.13 -0.31 0.00 0.00 175.10 176.13 1wlo s ARG 63 N 0.67 4.17 -0.05 4.82 1.81 0.27 -3.60 118.95 127.03 1wlo s ARG 63 Ca -0.02 0.71 -0.09 0.00 -1.72 0.00 0.00 55.73 54.62 1wlo s ARG 63 Cb -0.14 -3.62 -0.05 0.00 -0.45 0.00 0.00 34.95 30.69 1wlo s ARG 63 CO 0.02 -0.39 0.24 -0.51 -0.68 0.00 0.00 175.30 173.98 1wlo s LEU 64 N 2.43 4.40 -0.13 2.53 1.02 -1.26 -1.86 118.68 125.81 1wlo s LEU 64 Ca 0.30 0.61 -0.04 0.00 0.02 0.00 0.00 54.13 55.01 1wlo s LEU 64 Cb -0.16 -2.38 0.07 0.00 0.02 0.00 0.00 46.19 43.74 1wlo s LEU 64 CO 0.09 0.34 0.25 -0.31 0.02 0.00 0.00 176.35 176.74 1wlo s TYR 65 N -1.13 -0.39 -0.02 0.29 2.02 -0.95 -5.01 117.35 112.16 1wlo s TYR 65 Ca 0.21 0.87 0.04 0.00 -0.37 0.00 0.00 57.07 57.83 1wlo s TYR 65 Cb -0.13 -0.09 -0.01 0.00 -0.40 0.00 0.00 41.96 41.33 1wlo s TYR 65 CO 0.10 -0.37 -0.14 -0.06 -1.57 0.00 0.00 175.55 173.51 1wlo s PHE 66 N 2.40 1.30 -0.14 2.71 0.08 -1.26 -1.98 117.98 121.09 1wlo s PHE 66 Ca 0.02 -0.26 -0.03 0.00 0.12 0.00 0.00 56.93 56.77 1wlo s PHE 66 Cb -0.12 -0.85 0.05 0.00 -0.57 0.00 0.00 43.02 41.53 1wlo s PHE 66 CO -0.09 -0.04 0.06 -1.58 -0.10 0.00 0.00 175.22 173.47 1wlo s HIS 67 N -0.26 0.42 -0.17 0.36 5.65 -0.91 -4.14 115.29 116.23 1wlo s HIS 67 Ca 0.04 -0.31 0.01 0.00 0.25 0.00 0.00 55.06 55.05 1wlo s HIS 67 Cb -0.06 -0.74 0.02 0.00 -1.18 0.00 0.00 32.58 30.61 1wlo s HIS 67 CO -0.00 -0.45 -0.19 0.08 -0.65 0.00 0.00 174.74 173.53 1wlo s VAL 68 N 2.06 1.96 -0.07 0.89 1.01 -1.26 -3.13 120.40 121.86 1wlo s VAL 68 Ca 0.02 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 60.98 1wlo s VAL 68 Cb -0.15 -1.79 -0.09 0.00 0.00 0.00 0.00 36.38 34.35 1wlo s VAL 68 CO -0.07 0.51 0.53 1.55 0.00 0.00 0.00 175.10 177.63 1wlo h PRO 69 N 7.96 -0.25 0.00 2.72 0.13 -2.00 -3.20 132.00 137.36 1wlo h PRO 69 Ca -0.44 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1wlo h PRO 69 Cb 1.14 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wlo h PRO 69 CO 0.61 0.01 0.00 -0.44 -0.23 0.00 0.00 178.00 177.95 1wlo h ASP 70 N -1.01 0.00 -1.42 1.44 5.19 -1.95 -3.45 116.42 115.22 1wlo h ASP 70 Ca -0.03 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.11 1wlo h ASP 70 Cb 0.37 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.83 1wlo h ASP 70 CO 0.04 0.00 -0.31 -0.62 -3.12 0.00 0.00 179.24 175.23 1wlo n GLU 71 N -2.51 -1.03 -1.58 3.56 1.02 -1.21 -4.85 120.64 114.05 1wlo n GLU 71 Ca -0.01 0.78 -0.62 0.00 -0.02 0.00 0.00 57.16 57.29 1wlo n GLU 71 Cb 0.11 -4.97 -0.10 0.00 -0.02 0.00 0.00 31.44 26.47 1wlo n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wlo n ALA 72 N -0.50 -0.50 0.73 0.62 0.00 -1.26 -4.76 120.51 114.84 1wlo n ALA 72 Ca -0.15 0.35 0.11 0.00 0.00 0.00 0.00 53.44 53.74 1wlo n ALA 72 Cb 0.55 -2.07 0.46 0.00 0.00 0.00 0.00 19.45 18.39 1wlo n ALA 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1wlo n PRO 73 N 5.59 0.02 -0.00 0.00 -0.04 -1.26 -0.06 135.00 139.24 1wlo n PRO 73 Ca 0.38 0.14 0.02 0.00 -0.04 0.00 0.00 63.50 64.00 1wlo n PRO 73 Cb 0.00 -1.54 -0.11 0.00 -0.04 0.00 0.00 33.50 31.81 1wlo n PRO 73 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wlo n THR 74 N -1.58 0.88 -0.08 0.52 -2.24 -1.26 -3.12 114.28 107.40 1wlo n THR 74 Ca 0.05 -0.67 -0.23 0.00 -2.27 0.00 0.00 64.05 60.94 1wlo n THR 74 Cb 0.26 -0.46 -0.12 0.00 -2.10 0.00 0.00 70.33 67.92 1wlo n THR 74 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1wlo n VAL 75 N -2.68 1.60 -0.28 2.28 0.31 -1.06 -4.16 118.33 114.35 1wlo n VAL 75 Ca -0.12 -0.39 -0.06 0.00 -0.01 0.00 0.00 64.34 63.76 1wlo n VAL 75 Cb 0.82 -1.81 0.06 0.00 -0.91 0.00 0.00 33.84 32.00 1wlo n VAL 75 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1wlo h LYS 76 N -0.51 1.15 -0.26 5.55 3.64 -0.68 -3.03 116.57 122.42 1wlo h LYS 76 Ca -0.49 -0.22 0.03 0.00 -1.27 0.00 0.00 60.65 58.70 1wlo h LYS 76 Cb 1.69 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 33.29 1wlo h LYS 76 CO -0.15 0.95 -0.26 0.00 -2.27 0.00 0.00 179.45 177.72 1wlo h ALA 77 N 1.15 -0.44 -0.87 5.00 0.00 -1.72 0.70 119.26 123.08 1wlo h ALA 77 Ca 0.25 0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.41 1wlo h ALA 77 Cb 0.24 0.98 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 1wlo h ALA 77 CO -0.02 -0.58 0.20 0.35 0.00 0.00 0.00 179.25 179.20 1wlo h PHE 78 N -0.13 0.28 -0.28 0.00 3.57 -1.70 0.51 116.94 119.19 1wlo h PHE 78 Ca 0.04 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1wlo h PHE 78 Cb 0.24 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1wlo h PHE 78 CO -0.75 -0.23 0.18 0.00 -2.23 0.00 0.00 178.31 175.28 1wlo h ALA 79 N 1.79 0.35 0.00 2.41 0.00 -0.58 -0.86 119.26 122.37 1wlo h ALA 79 Ca 0.54 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 1wlo h ALA 79 Cb 1.08 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1wlo h ALA 79 CO -0.67 -0.17 -0.01 0.78 0.00 0.00 0.00 179.25 179.18 1wlo h GLY 80 N 0.37 0.00 0.38 0.00 0.00 0.50 -1.54 103.07 102.79 1wlo h GLY 80 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 1wlo h GLY 80 CO -0.02 0.00 -0.01 -2.00 0.00 0.00 0.00 176.54 174.51 1wlo h LEU 81 N 0.00 0.01 -1.83 3.11 5.85 0.48 -0.77 115.31 122.15 1wlo h LEU 81 Ca -0.00 -0.62 0.06 0.00 0.84 0.00 0.00 57.88 58.16 1wlo h LEU 81 Cb 0.03 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1wlo h LEU 81 CO 0.00 0.63 0.24 -0.07 -0.34 0.00 0.00 178.44 178.90 1wlo h LEU 82 N -0.61 0.18 0.00 2.25 3.38 -0.58 0.54 115.31 120.47 1wlo h LEU 82 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wlo h LEU 82 Cb 0.63 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1wlo h LEU 82 CO 0.00 0.12 -0.24 -1.14 0.09 0.00 0.00 178.44 177.27 1wlo n ARG 83 N -4.47 0.10 0.00 1.13 0.63 -0.65 0.56 116.66 113.97 1wlo n ARG 83 Ca 0.04 0.06 0.12 0.00 -0.92 0.00 0.00 57.85 57.16 1wlo n ARG 83 Cb 0.27 -1.59 0.19 0.00 0.45 0.00 0.00 32.46 31.78 1wlo n ARG 83 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1wlo n GLU 84 N -1.76 1.96 0.00 -0.14 -0.58 0.18 -3.71 120.64 116.59 1wlo n GLU 84 Ca 0.06 -1.52 0.00 0.00 -0.42 0.00 0.00 57.16 55.27 1wlo n GLU 84 Cb 0.37 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 1wlo n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wlo n GLY 85 N 1.32 0.00 0.01 0.62 0.00 -0.46 -4.40 105.19 102.27 1wlo n GLY 85 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 1wlo n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wlo n LEU 86 N -1.90 0.15 0.00 0.99 7.99 0.19 -3.46 117.00 120.97 1wlo n LEU 86 Ca 0.00 0.20 0.00 0.00 -0.01 0.00 0.00 56.01 56.20 1wlo n LEU 86 Cb 0.24 -0.53 0.00 0.00 -0.11 0.00 0.00 43.42 43.02 1wlo n LEU 86 CO 0.00 -0.49 0.00 1.21 -1.51 0.00 0.00 177.39 176.60 1wlo n GLU 87 N -2.51 0.00 -0.74 3.23 2.13 -1.07 0.20 120.64 121.87 1wlo n GLU 87 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1wlo n GLU 87 Cb 0.03 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.74 1wlo n GLU 87 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wlo n GLY 88 N 0.00 0.67 3.94 8.31 0.00 -1.24 -4.96 105.19 111.91 1wlo n GLY 88 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1wlo n GLY 88 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wlo s GLU 89 N -0.26 2.76 0.61 1.61 0.41 0.54 -4.66 118.70 119.71 1wlo s GLU 89 Ca 0.00 -0.36 -0.12 0.00 -0.41 0.00 0.00 54.97 54.08 1wlo s GLU 89 Cb 0.00 -2.39 -0.04 0.00 -1.78 0.00 0.00 34.13 29.92 1wlo s GLU 89 CO 0.00 -0.67 1.02 -1.54 -0.49 0.00 0.00 175.26 173.59 1wlo s SER 90 N -4.34 6.22 0.00 -0.19 1.04 -1.26 0.53 113.70 115.69 1wlo s SER 90 Ca 0.54 1.48 0.22 0.00 0.48 0.00 0.00 55.95 58.67 1wlo s SER 90 Cb -0.10 -2.48 1.03 0.00 0.10 0.00 0.00 66.02 64.57 1wlo s SER 90 CO 0.41 -0.88 1.72 -0.81 0.98 0.00 0.00 173.24 174.67 1wlo n PRO 91 N -2.54 0.15 -0.01 4.02 -0.04 -1.26 -2.13 135.00 133.20 1wlo n PRO 91 Ca 0.06 0.10 -0.11 0.00 -0.04 0.00 0.00 63.50 63.51 1wlo n PRO 91 Cb 0.54 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 1wlo n PRO 91 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1wlo h GLU 92 N 0.00 0.06 0.00 0.54 4.39 -1.94 -2.55 114.58 115.08 1wlo h GLU 92 Ca 0.00 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1wlo h GLU 92 Cb 0.30 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1wlo h GLU 92 CO 0.00 0.69 -0.44 0.00 -1.16 0.00 0.00 179.01 178.10 1wlo h ALA 93 N 0.80 0.74 0.04 3.43 0.00 -1.88 -3.00 119.26 119.37 1wlo h ALA 93 Ca -0.30 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.40 1wlo h ALA 93 Cb 2.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 1wlo h ALA 93 CO 0.09 0.00 -1.16 -0.39 0.00 0.00 0.00 179.25 177.79 1wlo h VAL 94 N 0.00 1.05 -0.82 0.00 -1.51 -1.53 -3.26 116.25 110.18 1wlo h VAL 94 Ca 0.00 -2.27 0.06 0.00 -1.23 0.00 0.00 66.70 63.26 1wlo h VAL 94 Cb 0.84 2.53 -0.06 0.00 -2.13 0.00 0.00 31.29 32.47 1wlo h VAL 94 CO 0.00 0.49 0.51 -0.07 -1.23 0.00 0.00 177.57 177.26 1wlo h LEU 95 N -0.76 0.80 -1.13 4.19 3.38 -1.57 -0.66 115.31 119.56 1wlo h LEU 95 Ca -0.29 0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.77 1wlo h LEU 95 Cb 1.42 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.95 1wlo h LEU 95 CO -0.10 0.52 0.60 1.05 0.09 0.00 0.00 178.44 180.60 1wlo h GLU 96 N 0.94 1.00 -6.18 1.13 4.11 -1.67 -3.41 114.58 110.49 1wlo h GLU 96 Ca 0.35 -0.06 -0.60 0.00 0.07 0.00 0.00 59.36 59.13 1wlo h GLU 96 Cb 0.14 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.17 1wlo h GLU 96 CO -0.16 0.66 1.28 0.28 0.07 0.00 0.00 179.01 181.14 1wlo n VAL 97 N -4.51 0.52 -1.53 -1.06 0.31 -0.26 -4.70 118.33 107.11 1wlo n VAL 97 Ca 0.15 -0.23 -0.29 0.00 -0.01 0.00 0.00 64.34 63.96 1wlo n VAL 97 Cb 0.22 -2.14 0.16 0.00 -0.91 0.00 0.00 33.84 31.17 1wlo n VAL 97 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1wlo s PRO 98 N 5.05 0.76 0.19 5.55 0.04 -1.26 -4.95 135.00 140.38 1wlo s PRO 98 Ca 0.96 0.14 0.24 0.00 0.04 0.00 0.00 61.00 62.39 1wlo s PRO 98 Cb -0.56 -1.81 0.91 0.00 0.04 0.00 0.00 34.50 33.08 1wlo s PRO 98 CO 0.45 -2.43 1.74 -0.35 0.04 0.00 0.00 177.00 176.45 1wlo n PRO 99 N -3.90 0.19 -1.49 0.56 -0.04 -1.26 -2.94 135.00 126.12 1wlo n PRO 99 Ca 0.09 0.29 -0.19 0.00 -0.04 0.00 0.00 63.50 63.64 1wlo n PRO 99 Cb 0.59 -1.78 0.09 0.00 -0.04 0.00 0.00 33.50 32.36 1wlo n PRO 99 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wlo n GLY 100 N 0.66 5.85 0.02 0.55 0.00 -1.26 -4.65 105.19 106.36 1wlo n GLY 100 Ca 0.04 -2.15 0.10 0.00 0.00 0.00 0.00 46.02 44.01 1wlo n GLY 100 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1wlo n PHE 101 N -0.88 0.11 0.54 1.61 -1.74 -1.15 -2.30 117.46 113.64 1wlo n PHE 101 Ca 0.43 0.04 0.11 0.00 -0.56 0.00 0.00 57.45 57.47 1wlo n PHE 101 Cb 0.91 -0.56 0.01 0.00 1.52 0.00 0.00 39.48 41.35 1wlo n PHE 101 CO 0.00 0.00 0.00 2.48 -0.56 0.00 0.00 176.76 178.68 1wlo n TYR 102 N -1.59 0.26 -1.61 2.97 0.18 -1.26 -4.95 117.16 111.15 1wlo n TYR 102 Ca 0.05 0.08 -0.46 0.00 1.88 0.00 0.00 57.90 59.45 1wlo n TYR 102 Cb 0.25 -0.44 -0.02 0.00 -0.38 0.00 0.00 39.34 38.75 1wlo n TYR 102 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1wlo n ARG 103 N -1.98 1.46 -2.80 -3.48 1.74 -0.97 -3.55 116.66 107.08 1wlo n ARG 103 Ca 0.02 0.52 -0.06 0.00 -0.77 0.00 0.00 57.85 57.55 1wlo n ARG 103 Cb 0.44 -1.99 0.01 0.00 -1.02 0.00 0.00 32.46 29.90 1wlo n ARG 103 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wlo n GLY 104 N 1.62 -1.26 0.63 -0.13 0.00 -1.26 -4.93 105.19 99.85 1wlo n GLY 104 Ca 0.11 1.04 0.00 0.00 0.00 0.00 0.00 46.02 47.18 1wlo n GLY 104 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wlo n TYR 105 N -0.57 -0.79 0.00 1.61 4.01 -1.23 -5.02 117.16 115.17 1wlo n TYR 105 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1wlo n TYR 105 Cb 0.44 0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 1wlo n TYR 105 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wlo n GLY 106 N -1.14 2.61 0.32 2.72 0.00 -1.26 -3.90 105.19 104.55 1wlo n GLY 106 Ca 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 46.02 45.66 1wlo n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wlo h LEU 107 N 0.00 -1.03 -1.97 0.99 -0.00 -1.95 1.19 115.31 112.55 1wlo h LEU 107 Ca 0.00 0.19 0.33 0.00 -0.00 0.00 0.00 57.88 58.40 1wlo h LEU 107 Cb 0.00 0.49 -0.05 0.00 -0.00 0.00 0.00 40.66 41.11 1wlo h LEU 107 CO 0.00 -0.31 0.85 -0.08 -0.00 0.00 0.00 178.44 178.90 1wlo h GLU 108 N -0.22 0.00 0.00 1.13 4.22 -1.81 0.21 114.58 118.11 1wlo h GLU 108 Ca 0.19 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.63 1wlo h GLU 108 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1wlo h GLU 108 CO -0.55 0.00 -0.39 0.93 -2.18 0.00 0.00 179.01 176.83 1wlo h GLU 109 N 0.00 0.00 -0.24 1.92 5.08 0.24 -3.41 114.58 118.17 1wlo h GLU 109 Ca 0.55 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.93 1wlo h GLU 109 Cb 2.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.45 1wlo h GLU 109 CO -0.01 0.00 -0.30 0.74 -1.00 0.00 0.00 179.01 178.45 1wlo h PHE 110 N -0.90 -0.92 -3.73 4.33 0.04 0.17 -3.40 116.94 112.53 1wlo h PHE 110 Ca 0.00 0.05 -0.49 0.00 2.80 0.00 0.00 57.97 60.32 1wlo h PHE 110 Cb 0.39 0.43 -0.02 0.00 2.20 0.00 0.00 35.95 38.95 1wlo h PHE 110 CO -0.17 -0.26 0.34 -0.06 -0.60 0.00 0.00 178.31 177.57 1wlo s PHE 111 N -4.40 3.98 0.90 -0.55 0.08 0.69 -5.03 117.98 113.65 1wlo s PHE 111 Ca -0.08 1.90 -0.10 0.00 0.12 0.00 0.00 56.93 58.77 1wlo s PHE 111 Cb 0.05 -2.97 0.14 0.00 -0.57 0.00 0.00 43.02 39.66 1wlo s PHE 111 CO 0.33 0.45 1.12 0.95 -0.10 0.00 0.00 175.22 177.97 1wlo s THR 112 N -1.13 2.35 -0.97 0.64 -4.23 -1.26 -4.57 115.64 106.47 1wlo s THR 112 Ca 0.41 0.11 0.22 0.00 -1.18 0.00 0.00 61.69 61.26 1wlo s THR 112 Cb -0.26 -2.26 0.19 0.00 1.34 0.00 0.00 72.50 71.51 1wlo s THR 112 CO 0.32 -0.15 1.70 -0.81 -0.54 0.00 0.00 174.62 175.14 1wlo n PRO 113 N -4.12 0.02 -0.08 3.99 -0.04 -1.26 -1.49 135.00 132.02 1wlo n PRO 113 Ca 0.10 0.14 -0.12 0.00 -0.04 0.00 0.00 63.50 63.58 1wlo n PRO 113 Cb 0.53 -1.53 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 1wlo n PRO 113 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1wlo h LEU 114 N 0.00 0.00 -1.39 1.53 7.12 -1.99 -3.24 115.31 117.34 1wlo h LEU 114 Ca 0.00 -0.49 -0.06 0.00 0.13 0.00 0.00 57.88 57.46 1wlo h LEU 114 Cb 0.39 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.51 1wlo h LEU 114 CO 0.00 1.03 -0.28 -0.09 -0.13 0.00 0.00 178.44 178.97 1wlo h ARG 115 N -1.00 0.00 -0.18 1.25 2.43 -1.93 -2.83 114.38 112.12 1wlo h ARG 115 Ca -0.11 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1wlo h ARG 115 Cb 0.84 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1wlo h ARG 115 CO -0.07 0.28 0.10 -0.07 -1.51 0.00 0.00 179.97 178.70 1wlo h LEU 116 N 0.00 0.22 -0.96 3.80 3.38 -1.40 -2.19 115.31 118.15 1wlo h LEU 116 Ca -0.00 -0.06 0.27 0.00 0.09 0.00 0.00 57.88 58.17 1wlo h LEU 116 Cb 0.61 -0.06 -0.18 0.00 0.09 0.00 0.00 40.66 41.12 1wlo h LEU 116 CO 0.04 0.22 0.03 0.54 0.09 0.00 0.00 178.44 179.35 1wlo n ARG 117 N -4.93 -0.08 0.17 1.13 1.74 -1.07 -0.47 116.66 113.16 1wlo n ARG 117 Ca -0.04 1.44 -0.12 0.00 -0.77 0.00 0.00 57.85 58.37 1wlo n ARG 117 Cb 0.06 -2.30 -0.07 0.00 -1.02 0.00 0.00 32.46 29.13 1wlo n ARG 117 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1wlo h GLY 118 N 0.00 -0.51 -1.46 -0.13 0.00 -1.48 -2.76 103.07 96.72 1wlo h GLY 118 Ca 0.59 0.19 0.49 0.00 0.00 0.00 0.00 47.33 48.60 1wlo h GLY 118 CO -0.90 -0.19 0.95 1.04 0.00 0.00 0.00 176.54 177.44 1wlo n LEU 119 N -5.13 0.19 0.09 3.11 4.32 0.38 0.14 117.00 120.09 1wlo n LEU 119 Ca -0.09 1.35 -0.12 0.00 -0.02 0.00 0.00 56.01 57.13 1wlo n LEU 119 Cb 0.27 -0.66 -0.08 0.00 -1.62 0.00 0.00 43.42 41.33 1wlo n LEU 119 CO 0.26 -1.45 0.52 -0.33 -1.22 0.00 0.00 177.39 175.17 1wlo h GLU 120 N 0.00 -0.24 -0.95 3.23 5.08 -0.85 -3.13 114.58 117.72 1wlo h GLU 120 Ca 0.89 0.02 0.29 0.00 -1.00 0.00 0.00 59.36 59.55 1wlo h GLU 120 Cb 2.96 0.06 -0.16 0.00 0.50 0.00 0.00 28.75 32.11 1wlo h GLU 120 CO -0.42 0.14 0.22 0.00 -1.00 0.00 0.00 179.01 177.96 1wlo h ALA 121 N -0.06 1.42 -0.40 3.43 0.00 0.15 0.69 119.26 124.49 1wlo h ALA 121 Ca -0.03 0.28 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1wlo h ALA 121 Cb 0.50 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1wlo h ALA 121 CO 0.04 -0.60 -0.26 0.00 0.00 0.00 0.00 179.25 178.43 1wlo h ALA 122 N 1.90 -0.29 -0.20 0.00 0.00 -1.29 1.30 119.26 120.67 1wlo h ALA 122 Ca 0.63 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.63 1wlo h ALA 122 Cb 1.39 1.12 -0.07 0.00 0.00 0.00 0.00 17.79 20.22 1wlo h ALA 122 CO -0.78 -0.46 -0.44 1.25 0.00 0.00 0.00 179.25 178.81 1wlo h LEU 123 N -0.03 -1.42 -0.36 0.00 5.85 -0.98 0.78 115.31 119.15 1wlo h LEU 123 Ca 0.06 0.19 0.04 0.00 0.84 0.00 0.00 57.88 59.02 1wlo h LEU 123 Cb 0.20 0.58 -0.07 0.00 0.37 0.00 0.00 40.66 41.74 1wlo h LEU 123 CO -0.39 -0.42 -0.46 -0.07 -0.34 0.00 0.00 178.44 176.76 1wlo h LEU 124 N -0.46 -1.54 0.08 2.25 3.38 -0.51 1.16 115.31 119.67 1wlo h LEU 124 Ca 0.08 0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.27 1wlo h LEU 124 Cb 0.62 0.63 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 1wlo h LEU 124 CO -0.45 -0.32 -0.51 0.03 0.09 0.00 0.00 178.44 177.28 1wlo h ARG 125 N -0.31 -0.69 -0.75 1.13 3.08 0.23 0.41 114.38 117.49 1wlo h ARG 125 Ca 0.06 0.05 0.17 0.00 0.07 0.00 0.00 59.98 60.33 1wlo h ARG 125 Cb 0.48 0.16 -0.13 0.00 0.08 0.00 0.00 29.97 30.56 1wlo h ARG 125 CO -0.50 -0.46 0.05 -0.07 -1.07 0.00 0.00 179.97 177.92 1wlo h LEU 126 N -0.71 -0.25 -1.89 3.04 3.38 0.14 1.59 115.31 120.60 1wlo h LEU 126 Ca 0.01 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1wlo h LEU 126 Cb 0.74 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1wlo h LEU 126 CO -0.30 -0.15 -0.13 1.56 0.09 0.00 0.00 178.44 179.52 1wlo h GLN 127 N 0.14 0.00 0.00 1.13 4.20 0.27 0.58 115.11 121.42 1wlo h GLN 127 Ca 0.41 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.12 1wlo h GLN 127 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1wlo h GLN 127 CO -0.62 0.13 0.00 0.00 -0.67 0.00 0.00 178.83 177.66 1wlo h ALA 128 N 1.87 1.00 0.00 3.87 0.00 0.65 -2.22 119.26 124.44 1wlo h ALA 128 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1wlo h ALA 128 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1wlo h ALA 128 CO 0.02 0.00 -1.38 1.96 0.00 0.00 0.00 179.25 179.84 1wlo h GLN 129 N 0.00 0.00 0.02 0.00 4.20 0.12 -3.36 115.11 116.08 1wlo h GLN 129 Ca 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1wlo h GLN 129 Cb 0.81 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.60 1wlo h GLN 129 CO 0.00 0.29 -0.37 0.28 -0.67 0.00 0.00 178.83 178.36 1wlo h VAL 130 N 0.00 1.55 -0.73 -0.54 2.07 -1.13 -3.15 116.25 114.33 1wlo h VAL 130 Ca -0.16 -2.10 0.21 0.00 0.82 0.00 0.00 66.70 65.47 1wlo h VAL 130 Cb 1.57 2.88 -0.03 0.00 -1.52 0.00 0.00 31.29 34.19 1wlo h VAL 130 CO 0.05 0.58 0.76 0.03 0.02 0.00 0.00 177.57 179.01 1wlo h ARG 131 N -0.47 0.00 0.09 1.57 3.08 -1.56 1.49 114.38 118.58 1wlo h ARG 131 Ca -0.05 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.72 1wlo h ARG 131 Cb 1.15 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.22 1wlo h ARG 131 CO 0.07 0.00 -1.17 0.87 -1.07 0.00 0.00 179.97 178.67 1wlo h LYS 132 N 0.00 0.53 -0.39 0.04 1.79 -1.69 -3.20 116.57 113.64 1wlo h LYS 132 Ca 0.34 -0.69 -0.08 0.00 -2.18 0.00 0.00 60.65 58.05 1wlo h LYS 132 Cb 1.87 0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 32.72 1wlo h LYS 132 CO -0.00 1.29 -0.09 0.00 -1.08 0.00 0.00 179.45 179.57 1wlo h ALA 133 N 0.44 1.11 -0.87 3.86 0.00 0.20 -2.41 119.26 121.60 1wlo h ALA 133 Ca -0.15 -0.29 0.12 0.00 0.00 0.00 0.00 54.91 54.59 1wlo h ALA 133 Cb 1.84 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 19.38 1wlo h ALA 133 CO 0.21 0.55 0.49 -0.07 0.00 0.00 0.00 179.25 180.44 1wlo h LEU 134 N 0.62 0.68 -0.90 0.00 3.38 -1.02 0.82 115.31 118.89 1wlo h LEU 134 Ca 0.11 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1wlo h LEU 134 Cb 0.52 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1wlo h LEU 134 CO 0.03 0.35 0.00 1.07 0.09 0.00 0.00 178.44 179.98 1wlo n THR 135 N -4.76 0.35 -0.36 0.22 5.66 -0.93 -5.12 114.28 109.33 1wlo n THR 135 Ca 0.16 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1wlo n THR 135 Cb 0.35 0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.18 1wlo n THR 135 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82