#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wlo n VAL 2 N 0.00 -3.49 -1.51 2.03 0.31 -1.25 -4.98 118.33 109.43 1wlo n VAL 2 Ca 0.00 1.46 -0.30 0.00 -0.01 0.00 0.00 64.34 65.50 1wlo n VAL 2 Cb 0.00 -2.06 0.20 0.00 -0.91 0.00 0.00 33.84 31.07 1wlo n VAL 2 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1wlo s PRO 3 N -4.61 -0.06 -0.06 5.55 0.04 -1.26 -4.87 135.00 129.73 1wlo s PRO 3 Ca 0.00 -0.15 -0.13 0.00 0.04 0.00 0.00 61.00 60.75 1wlo s PRO 3 Cb 0.00 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.71 1wlo s PRO 3 CO 0.00 -2.92 0.52 -1.00 0.04 0.00 0.00 177.00 173.64 1wlo h PRO 4 N -2.01 -0.26 -0.97 0.56 0.13 -1.94 -1.91 132.00 125.61 1wlo h PRO 4 Ca -0.46 0.02 0.19 0.00 -0.87 0.00 0.00 66.00 64.88 1wlo h PRO 4 Cb 1.27 0.06 -0.18 0.00 0.13 0.00 0.00 31.00 32.28 1wlo h PRO 4 CO 0.40 -0.02 -0.26 1.63 -0.23 0.00 0.00 178.00 179.52 1wlo n LYS 5 N -4.95 -0.11 0.02 0.86 4.76 -1.26 0.21 118.16 117.69 1wlo n LYS 5 Ca -0.05 1.51 -0.01 0.00 -2.87 0.00 0.00 58.31 56.89 1wlo n LYS 5 Cb 0.18 -2.25 -0.00 0.00 -1.84 0.00 0.00 35.03 31.12 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 -0.04 -1.87 -0.35 6.46 -1.55 0.35 115.31 118.31 1wlo h LEU 6 Ca 0.44 0.00 0.50 0.00 -0.12 0.00 0.00 57.88 58.71 1wlo h LEU 6 Cb 0.69 0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 40.56 1wlo h LEU 6 CO -0.99 -0.02 1.32 0.50 -0.62 0.00 0.00 178.44 178.62 1wlo h LYS 7 N -0.05 0.00 0.16 1.25 1.63 -0.37 0.32 116.57 119.51 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 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1wlo h LYS 7 CO 0.01 0.00 -0.08 1.96 -3.45 0.00 0.00 179.45 177.89 1wlo h GLN 8 N 0.00 -0.21 -1.37 1.90 4.20 0.28 0.31 115.11 120.22 1wlo h GLN 8 Ca 0.83 0.01 0.40 0.00 0.06 0.00 0.00 58.65 59.95 1wlo h GLN 8 Cb 3.46 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 31.21 1wlo h GLN 8 CO -0.01 -0.14 0.96 0.00 -0.67 0.00 0.00 178.83 178.97 1wlo h ALA 9 N -1.40 3.14 0.00 3.87 0.00 0.32 1.81 119.26 127.01 1wlo h ALA 9 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1wlo h ALA 9 Cb 0.17 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1wlo h ALA 9 CO 0.04 -1.58 -0.04 -0.07 0.00 0.00 0.00 179.25 177.60 1wlo h LEU 10 N 0.06 0.00 -0.34 0.00 3.38 -0.81 -2.81 115.31 114.80 1wlo h LEU 10 Ca 0.69 -0.67 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1wlo h LEU 10 Cb 2.56 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 43.28 1wlo h LEU 10 CO -0.10 0.86 0.12 -0.33 0.09 0.00 0.00 178.44 179.08 1wlo h GLU 11 N -1.00 0.26 -0.90 1.13 5.08 0.34 -1.17 114.58 118.32 1wlo h GLU 11 Ca -0.01 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1wlo h GLU 11 Cb 0.69 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.82 1wlo h GLU 11 CO -0.01 0.17 0.55 1.25 -1.00 0.00 0.00 179.01 179.98 1wlo h LEU 12 N 0.27 0.86 0.48 1.33 5.85 0.24 -0.55 115.31 123.79 1wlo h LEU 12 Ca 0.15 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1wlo h LEU 12 Cb 0.12 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1wlo h LEU 12 CO -0.15 0.53 -0.31 0.15 -0.34 0.00 0.00 178.44 178.31 1wlo h PHE 13 N 0.98 -0.83 -0.64 1.25 3.57 -0.98 0.57 116.94 120.87 1wlo h PHE 13 Ca 0.40 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 62.08 1wlo h PHE 13 Cb 0.24 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 1wlo h PHE 13 CO -0.03 -0.45 0.59 -0.22 -2.23 0.00 0.00 178.31 175.97 1wlo h LYS 14 N -0.74 0.00 0.07 1.11 3.64 -1.04 0.77 116.57 120.38 1wlo h LYS 14 Ca -0.06 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.04 1wlo h LYS 14 Cb 0.60 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1wlo h LYS 14 CO 0.05 0.00 -1.13 1.03 -2.27 0.00 0.00 179.45 177.13 1wlo h SER 15 N 0.00 0.74 -4.26 4.20 0.87 -0.13 -3.46 113.55 111.52 1wlo h SER 15 Ca 0.30 -0.66 -0.51 0.00 -1.23 0.00 0.00 61.79 59.69 1wlo h SER 15 Cb 1.48 -0.23 0.12 0.00 -0.44 0.00 0.00 62.40 63.33 1wlo h SER 15 CO -0.00 1.47 0.35 -0.76 -0.53 0.00 0.00 176.83 177.35 1wlo s LEU 16 N -7.79 3.21 0.17 2.23 1.43 0.27 -4.98 118.68 113.21 1wlo s LEU 16 Ca -0.08 1.91 -0.30 0.00 -1.03 0.00 0.00 54.13 54.63 1wlo s LEU 16 Cb 0.07 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.68 1wlo s LEU 16 CO 0.91 -1.83 1.12 -2.16 0.23 0.00 0.00 176.35 174.62 1wlo s PRO 17 N -4.51 4.56 0.02 1.29 0.04 -1.26 -4.73 135.00 130.40 1wlo s PRO 17 Ca 0.64 1.75 -0.03 0.00 0.04 0.00 0.00 61.00 63.40 1wlo s PRO 17 Cb -0.19 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 1wlo s PRO 17 CO 0.49 0.01 0.76 1.17 0.04 0.00 0.00 177.00 179.47 1wlo n LYS 18 N 2.54 -0.04 -0.30 4.56 4.81 -1.26 0.12 118.16 128.59 1wlo n LYS 18 Ca 0.04 0.75 -0.04 0.00 -0.87 0.00 0.00 58.31 58.19 1wlo n LYS 18 Cb 0.46 -1.13 -0.01 0.00 0.02 0.00 0.00 35.03 34.37 1wlo n LYS 18 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1wlo n GLU 19 N -3.00 -0.24 0.21 1.64 0.00 -1.26 0.78 120.64 118.77 1wlo n GLU 19 Ca 0.00 1.16 -0.15 0.00 0.00 0.00 0.00 57.16 58.17 1wlo n GLU 19 Cb 0.03 -1.72 -0.08 0.00 0.00 0.00 0.00 31.44 29.67 1wlo n GLU 19 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1wlo h LEU 20 N 0.00 -0.42 -0.98 -1.84 3.38 -0.03 -2.83 115.31 112.60 1wlo h LEU 20 Ca 0.21 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.27 1wlo h LEU 20 Cb 0.40 0.11 -0.13 0.00 0.09 0.00 0.00 40.66 41.12 1wlo h LEU 20 CO -0.74 -0.26 -0.52 0.54 0.09 0.00 0.00 178.44 177.55 1wlo n ARG 21 N -5.28 -0.37 -0.31 1.13 1.74 0.33 0.16 116.66 114.07 1wlo n ARG 21 Ca -0.11 1.48 0.13 0.00 -0.77 0.00 0.00 57.85 58.59 1wlo n ARG 21 Cb 0.22 -2.19 0.31 0.00 -1.02 0.00 0.00 32.46 29.79 1wlo n ARG 21 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wlo h SER 22 N 0.00 0.37 -0.01 0.55 0.87 -0.58 0.70 113.55 115.46 1wlo h SER 22 Ca 0.21 0.15 -0.12 0.00 -1.23 0.00 0.00 61.79 60.80 1wlo h SER 22 Cb 0.46 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 1wlo h SER 22 CO -0.93 0.02 -0.37 1.56 -0.53 0.00 0.00 176.83 176.58 1wlo h GLN 23 N 0.43 0.50 0.35 2.24 1.08 0.18 -3.05 115.11 116.85 1wlo h GLN 23 Ca 0.56 -0.24 -0.02 0.00 -1.45 0.00 0.00 58.65 57.51 1wlo h GLN 23 Cb 1.05 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 1wlo h GLN 23 CO -0.51 0.80 -0.17 0.28 -0.95 0.00 0.00 178.83 178.28 1wlo h VAL 24 N 0.42 0.00 -1.71 -0.54 2.07 0.58 -2.21 116.25 114.85 1wlo h VAL 24 Ca 0.04 -0.06 0.50 0.00 0.82 0.00 0.00 66.70 68.00 1wlo h VAL 24 Cb 0.84 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.54 1wlo h VAL 24 CO 0.07 0.00 1.33 0.18 0.02 0.00 0.00 177.57 179.17 1wlo n LEU 25 N -3.43 0.00 0.19 2.57 4.77 0.28 0.81 117.00 122.19 1wlo n LEU 25 Ca -0.06 0.90 -0.08 0.00 -0.03 0.00 0.00 56.01 56.75 1wlo n LEU 25 Cb 0.18 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 40.81 1wlo n LEU 25 CO 0.14 -0.90 0.31 0.25 -1.33 0.00 0.00 177.39 175.85 1wlo h LEU 26 N 0.00 -0.44 -1.77 2.23 7.12 -1.32 -3.03 115.31 118.10 1wlo h LEU 26 Ca 0.81 0.02 0.22 0.00 0.13 0.00 0.00 57.88 59.06 1wlo h LEU 26 Cb 3.46 0.11 -0.05 0.00 -0.53 0.00 0.00 40.66 43.66 1wlo h LEU 26 CO -0.01 -0.18 0.59 1.05 -0.13 0.00 0.00 178.44 179.76 1wlo h GLU 27 N -0.79 0.19 -0.50 1.25 -0.00 0.99 0.42 114.58 116.14 1wlo h GLU 27 Ca -0.05 -0.01 0.06 0.00 -0.00 0.00 0.00 59.36 59.36 1wlo h GLU 27 Cb 0.40 -0.04 -0.03 0.00 -0.00 0.00 0.00 28.75 29.08 1wlo h GLU 27 CO 0.09 0.12 0.33 1.88 -0.00 0.00 0.00 179.01 181.44 1wlo h TYR 28 N 0.19 0.43 0.19 2.06 -1.99 -0.76 0.22 116.97 117.32 1wlo h TYR 28 Ca 0.42 0.01 -0.33 0.00 2.00 0.00 0.00 58.73 60.83 1wlo h TYR 28 Cb 1.36 -0.14 0.02 0.00 2.00 0.00 0.00 36.73 39.96 1wlo h TYR 28 CO -0.00 0.23 -1.58 0.00 -0.00 0.00 0.00 178.16 176.82 1wlo h ALA 29 N 1.73 0.07 0.00 3.88 0.00 -0.09 -3.11 119.26 121.74 1wlo h ALA 29 Ca 0.22 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1wlo h ALA 29 Cb 0.31 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1wlo h ALA 29 CO -0.06 0.94 0.00 0.00 0.00 0.00 0.00 179.25 180.13 1wlo h ALA 30 N 0.25 1.00 0.00 0.00 0.00 -0.41 -0.14 119.26 119.96 1wlo h ALA 30 Ca -0.28 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1wlo h ALA 30 Cb 2.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.86 1wlo h ALA 30 CO 0.21 0.00 -1.02 0.87 0.00 0.00 0.00 179.25 179.31 1wlo h LYS 31 N 0.00 0.00 -6.29 0.00 1.57 -0.60 -3.44 116.57 107.80 1wlo h LYS 31 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1wlo h LYS 31 Cb 0.25 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1wlo h LYS 31 CO 0.00 0.35 1.17 0.08 -0.57 0.00 0.00 179.45 180.48 1wlo s VAL 32 N -2.97 3.63 0.85 0.50 1.01 -0.07 -4.98 120.40 118.37 1wlo s VAL 32 Ca 0.00 0.70 -0.12 0.00 0.00 0.00 0.00 61.98 62.56 1wlo s VAL 32 Cb 0.08 -3.71 0.10 0.00 0.00 0.00 0.00 36.38 32.86 1wlo s VAL 32 CO 0.78 -0.35 1.12 -2.16 0.00 0.00 0.00 175.10 174.49 1wlo s PRO 33 N 4.96 1.63 0.57 2.72 0.04 -1.26 -5.00 135.00 138.66 1wlo s PRO 33 Ca 0.74 0.47 -0.17 0.00 0.04 0.00 0.00 61.00 62.08 1wlo s PRO 33 Cb -0.24 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1wlo s PRO 33 CO 0.31 -1.90 1.05 -1.25 0.04 0.00 0.00 177.00 175.25 1wlo s PRO 34 N -5.22 3.47 0.27 0.56 0.04 -1.26 -4.76 135.00 128.09 1wlo s PRO 34 Ca 0.62 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 62.57 1wlo s PRO 34 Cb -0.15 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 1wlo s PRO 34 CO 0.54 -0.69 1.08 -1.25 0.04 0.00 0.00 177.00 176.72 1wlo s PRO 35 N -3.95 4.66 0.77 0.56 0.04 -1.26 -5.02 135.00 130.80 1wlo s PRO 35 Ca 0.64 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 63.33 1wlo s PRO 35 Cb -0.15 -3.21 0.05 0.00 0.04 0.00 0.00 34.50 31.23 1wlo s PRO 35 CO 0.34 0.24 1.09 -1.25 0.04 0.00 0.00 177.00 177.45 1wlo s PRO 36 N -1.33 2.35 0.13 0.56 0.04 -1.26 -5.00 135.00 130.48 1wlo s PRO 36 Ca 0.44 0.73 -0.30 0.00 0.04 0.00 0.00 61.00 61.92 1wlo s PRO 36 Cb -0.31 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.22 1wlo s PRO 36 CO 0.40 -1.46 1.14 -1.25 0.04 0.00 0.00 177.00 175.86 1wlo s PRO 37 N -5.12 4.52 0.00 0.56 0.04 -1.26 -3.14 135.00 130.60 1wlo s PRO 37 Ca 0.60 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1wlo s PRO 37 Cb -0.14 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1wlo s PRO 37 CO 0.54 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.92 1wlo n GLY 38 N 2.53 2.12 3.66 0.56 0.00 -1.26 -5.04 105.19 107.76 1wlo n GLY 38 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1wlo n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wlo s VAL 39 N -2.31 3.41 -0.39 1.61 1.01 -1.19 -4.95 120.40 117.61 1wlo s VAL 39 Ca 0.00 0.56 -0.19 0.00 0.00 0.00 0.00 61.98 62.35 1wlo s VAL 39 Cb 0.00 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 33.03 1wlo s VAL 39 CO 0.00 -0.04 0.57 -0.70 0.00 0.00 0.00 175.10 174.93 1wlo s GLU 40 N 3.92 3.47 -0.07 2.72 2.12 -1.26 -4.96 118.70 124.63 1wlo s GLU 40 Ca 0.76 -0.24 -0.10 0.00 0.36 0.00 0.00 54.97 55.75 1wlo s GLU 40 Cb -0.36 -3.87 -0.05 0.00 0.26 0.00 0.00 34.13 30.12 1wlo s GLU 40 CO 0.32 -0.80 0.24 -0.51 -0.54 0.00 0.00 175.26 173.97 1wlo s LEU 41 N 2.57 4.42 -0.10 2.70 1.02 -1.26 -4.60 118.68 123.43 1wlo s LEU 41 Ca 0.20 0.65 -0.17 0.00 0.02 0.00 0.00 54.13 54.84 1wlo s LEU 41 Cb -0.15 -2.27 -0.05 0.00 0.02 0.00 0.00 46.19 43.74 1wlo s LEU 41 CO 0.15 0.38 0.43 -0.70 0.02 0.00 0.00 176.35 176.63 1wlo s GLU 42 N -1.07 4.25 0.10 1.70 2.56 0.34 -4.73 118.70 121.85 1wlo s GLU 42 Ca 0.18 0.39 -0.31 0.00 0.00 0.00 0.00 54.97 55.23 1wlo s GLU 42 Cb -0.14 -3.39 -0.08 0.00 2.00 0.00 0.00 34.13 32.52 1wlo s GLU 42 CO 0.08 0.28 1.45 0.50 -0.56 0.00 0.00 175.26 177.01 1wlo s ARG 43 N 0.25 4.28 -0.93 4.30 6.06 -1.26 -2.19 118.95 129.46 1wlo s ARG 43 Ca 0.24 2.13 -0.16 0.00 -2.50 0.00 0.00 55.73 55.45 1wlo s ARG 43 Cb -0.15 -3.34 0.18 0.00 0.06 0.00 0.00 34.95 31.70 1wlo s ARG 43 CO 0.10 -0.53 1.01 0.08 -2.50 0.00 0.00 175.30 173.47 1wlo s VAL 44 N 1.55 5.22 0.19 7.11 1.01 -0.25 -4.86 120.40 130.37 1wlo s VAL 44 Ca 0.67 -2.19 -0.11 0.00 0.00 0.00 0.00 61.98 60.34 1wlo s VAL 44 Cb -0.37 -4.66 0.11 0.00 0.00 0.00 0.00 36.38 31.46 1wlo s VAL 44 CO 0.30 -1.30 1.79 0.45 0.00 0.00 0.00 175.10 176.34 1wlo h HIS 45 N 8.07 0.54 -0.94 5.22 3.86 -1.87 -1.99 115.15 128.04 1wlo h HIS 45 Ca 0.16 0.02 0.23 0.00 -1.16 0.00 0.00 60.37 59.62 1wlo h HIS 45 Cb 1.00 -0.16 -0.18 0.00 1.06 0.00 0.00 27.41 29.14 1wlo h HIS 45 CO 1.08 0.25 -0.10 0.39 0.86 0.00 0.00 177.93 180.41 1wlo n GLU 46 N -4.86 -0.08 -2.70 2.45 4.71 -1.26 -3.67 120.64 115.23 1wlo n GLU 46 Ca 0.06 1.44 -0.43 0.00 -0.01 0.00 0.00 57.16 58.22 1wlo n GLU 46 Cb 0.16 -2.22 -0.03 0.00 -1.01 0.00 0.00 31.44 28.34 1wlo n GLU 46 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wlo n GLN 48 N 7.17 -0.02 -2.90 0.00 10.64 -1.24 -4.28 117.38 126.75 1wlo n GLN 48 Ca 0.10 1.15 -0.32 0.00 -1.83 0.00 0.00 57.00 56.10 1wlo n GLN 48 Cb 0.48 -2.37 -0.05 0.00 -0.86 0.00 0.00 30.24 27.45 1wlo n GLN 48 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1wlo s THR 49 N -5.05 4.67 -1.17 -0.39 -4.23 -1.26 -4.95 115.64 103.25 1wlo s THR 49 Ca -0.06 0.91 -0.19 0.00 -1.18 0.00 0.00 61.69 61.17 1wlo s THR 49 Cb 0.28 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.42 1wlo s THR 49 CO 0.80 -0.39 1.95 -0.81 -0.54 0.00 0.00 174.62 175.63 1wlo n PRO 50 N -0.91 2.29 -3.26 3.99 -0.04 -1.26 -4.76 135.00 131.04 1wlo n PRO 50 Ca 0.04 -2.56 -0.44 0.00 -0.04 0.00 0.00 63.50 60.50 1wlo n PRO 50 Cb 0.54 -3.37 -0.07 0.00 -0.04 0.00 0.00 33.50 30.56 1wlo n PRO 50 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1wlo s PHE 51 N 5.94 3.14 -0.10 0.54 5.36 -1.26 -4.60 117.98 126.99 1wlo s PHE 51 Ca 0.57 -0.53 -0.10 0.00 -0.96 0.00 0.00 56.93 55.91 1wlo s PHE 51 Cb 0.08 -3.20 -0.05 0.00 -0.34 0.00 0.00 43.02 39.51 1wlo s PHE 51 CO 0.07 -0.85 0.22 -0.06 -1.46 0.00 0.00 175.22 173.13 1wlo s PHE 52 N 2.25 3.60 0.03 10.12 0.08 -1.14 -1.09 117.98 131.85 1wlo s PHE 52 Ca 0.12 0.63 0.02 0.00 0.12 0.00 0.00 56.93 57.82 1wlo s PHE 52 Cb -0.19 -2.07 -0.02 0.00 -0.57 0.00 0.00 43.02 40.16 1wlo s PHE 52 CO 0.12 0.64 -0.07 0.14 -0.10 0.00 0.00 175.22 175.95 1wlo s VAL 53 N -0.81 0.50 -0.24 -0.44 -7.23 -0.93 -1.14 120.40 110.11 1wlo s VAL 53 Ca 0.17 -0.95 -0.03 0.00 -1.81 0.00 0.00 61.98 59.36 1wlo s VAL 53 Cb -0.13 -0.55 0.08 0.00 0.56 0.00 0.00 36.38 36.33 1wlo s VAL 53 CO 0.06 -0.32 0.07 -2.28 -0.31 0.00 0.00 175.10 172.32 1wlo s HIS 54 N -1.20 1.08 -0.16 2.82 2.46 0.01 -0.50 115.29 119.79 1wlo s HIS 54 Ca -0.09 -1.09 -0.07 0.00 0.47 0.00 0.00 55.06 54.29 1wlo s HIS 54 Cb -0.09 -1.19 -0.04 0.00 -0.13 0.00 0.00 32.58 31.13 1wlo s HIS 54 CO 0.00 -0.72 0.07 0.00 -2.47 0.00 0.00 174.74 171.63 1wlo s ALA 55 N 1.84 3.49 0.22 1.58 0.00 -1.26 -2.66 121.76 124.96 1wlo s ALA 55 Ca 0.04 -0.73 -0.19 0.00 0.00 0.00 0.00 51.96 51.08 1wlo s ALA 55 Cb -0.17 -1.89 0.03 0.00 0.00 0.00 0.00 23.12 21.09 1wlo s ALA 55 CO -0.17 0.30 0.58 -0.51 0.00 0.00 0.00 175.76 175.96 1wlo s ASP 56 N -0.01 -0.29 -0.06 0.00 1.01 -1.12 -4.49 116.67 111.71 1wlo s ASP 56 Ca 0.07 -0.48 0.00 0.00 0.71 0.00 0.00 52.55 52.85 1wlo s ASP 56 Cb -0.12 0.62 0.02 0.00 1.01 0.00 0.00 42.92 44.46 1wlo s ASP 56 CO 0.01 -1.13 -0.03 0.54 0.21 0.00 0.00 175.17 174.76 1wlo s VAL 57 N -3.88 0.53 -0.31 -1.27 0.11 -1.26 0.25 120.40 114.58 1wlo s VAL 57 Ca 0.10 -0.07 0.03 0.00 -2.93 0.00 0.00 61.98 59.10 1wlo s VAL 57 Cb -0.02 -0.60 0.09 0.00 -1.53 0.00 0.00 36.38 34.32 1wlo s VAL 57 CO -0.01 0.25 0.03 -1.61 -3.33 0.00 0.00 175.10 170.43 1wlo s GLU 58 N 1.28 1.48 0.00 1.54 0.41 -0.27 -4.89 118.70 118.24 1wlo s GLU 58 Ca -0.05 -1.60 0.00 0.00 -0.41 0.00 0.00 54.97 52.91 1wlo s GLU 58 Cb -0.14 -2.92 0.00 0.00 -1.78 0.00 0.00 34.13 29.29 1wlo s GLU 58 CO -0.02 -0.86 0.00 0.41 -0.49 0.00 0.00 175.26 174.30 1wlo n GLY 59 N 4.41 2.02 0.72 -1.39 0.00 -1.26 -3.94 105.19 105.74 1wlo n GLY 59 Ca -0.01 -0.53 -0.03 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 0.78 2.95 -0.02 0.00 -1.26 -5.12 105.19 102.53 1wlo n GLY 60 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1wlo n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wlo s LYS 61 N 0.00 0.15 -0.22 1.61 1.02 -1.25 -4.55 119.74 116.49 1wlo s LYS 61 Ca 0.00 -0.09 -0.17 0.00 0.02 0.00 0.00 55.97 55.73 1wlo s LYS 61 Cb 0.00 0.06 -0.03 0.00 -0.52 0.00 0.00 37.83 37.34 1wlo s LYS 61 CO -0.00 -0.02 0.48 0.14 -0.92 0.00 0.00 175.35 175.02 1wlo s VAL 62 N -0.37 5.12 -0.23 3.17 -7.23 0.49 -1.11 120.40 120.24 1wlo s VAL 62 Ca -0.04 0.85 -0.23 0.00 -1.81 0.00 0.00 61.98 60.74 1wlo s VAL 62 Cb -0.03 -3.80 -0.01 0.00 0.56 0.00 0.00 36.38 33.10 1wlo s VAL 62 CO 0.00 0.17 0.76 -0.13 -0.31 0.00 0.00 175.10 175.59 1wlo s ARG 63 N 1.79 4.19 0.02 4.82 1.81 0.71 -2.77 118.95 129.51 1wlo s ARG 63 Ca 0.21 0.83 -0.17 0.00 -1.72 0.00 0.00 55.73 54.88 1wlo s ARG 63 Cb -0.15 -3.63 -0.06 0.00 -0.45 0.00 0.00 34.95 30.66 1wlo s ARG 63 CO 0.09 -0.44 0.50 -0.51 -0.68 0.00 0.00 175.30 174.26 1wlo s LEU 64 N 2.57 4.47 -0.12 2.53 1.43 -1.26 -2.78 118.68 125.52 1wlo s LEU 64 Ca 0.33 1.09 -0.05 0.00 -1.03 0.00 0.00 54.13 54.47 1wlo s LEU 64 Cb -0.16 -2.75 0.06 0.00 0.03 0.00 0.00 46.19 43.37 1wlo s LEU 64 CO 0.09 0.26 0.26 -0.31 0.23 0.00 0.00 176.35 176.87 1wlo s TYR 65 N -0.86 -0.40 0.05 0.29 2.02 -1.09 -5.01 117.35 112.36 1wlo s TYR 65 Ca 0.27 0.93 0.07 0.00 -0.37 0.00 0.00 57.07 57.97 1wlo s TYR 65 Cb -0.18 -0.03 -0.03 0.00 -0.40 0.00 0.00 41.96 41.32 1wlo s TYR 65 CO 0.16 -0.33 -0.20 -0.06 -1.57 0.00 0.00 175.55 173.54 1wlo s PHE 66 N 2.24 1.78 -0.08 2.71 0.08 -1.26 -0.81 117.98 122.63 1wlo s PHE 66 Ca -0.00 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 56.66 1wlo s PHE 66 Cb -0.12 -1.05 0.03 0.00 -0.57 0.00 0.00 43.02 41.31 1wlo s PHE 66 CO -0.08 0.10 -0.02 -1.58 -0.10 0.00 0.00 175.22 173.55 1wlo s HIS 67 N -0.86 0.84 -0.20 0.36 2.46 -0.29 -4.23 115.29 113.37 1wlo s HIS 67 Ca 0.07 -0.29 -0.01 0.00 0.47 0.00 0.00 55.06 55.31 1wlo s HIS 67 Cb -0.09 -0.88 0.05 0.00 -0.13 0.00 0.00 32.58 31.53 1wlo s HIS 67 CO 0.02 -0.36 -0.03 0.08 -2.47 0.00 0.00 174.74 171.98 1wlo s VAL 68 N 1.87 1.08 -0.05 0.89 1.01 -1.26 -2.87 120.40 121.08 1wlo s VAL 68 Ca 0.04 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 1wlo s VAL 68 Cb -0.12 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1wlo s VAL 68 CO -0.06 -0.06 0.36 1.55 0.00 0.00 0.00 175.10 176.90 1wlo h PRO 69 N 8.10 -0.27 -0.20 2.72 0.13 -2.00 -3.21 132.00 137.27 1wlo h PRO 69 Ca -0.19 0.02 0.06 0.00 -0.87 0.00 0.00 66.00 65.01 1wlo h PRO 69 Cb 1.10 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1wlo h PRO 69 CO 0.38 -0.18 0.51 -0.44 -0.23 0.00 0.00 178.00 178.05 1wlo h ASP 70 N -0.89 0.00 -4.31 1.44 3.32 -1.96 -3.44 116.42 110.59 1wlo h ASP 70 Ca -0.03 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.78 1wlo h ASP 70 Cb 0.21 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.86 1wlo h ASP 70 CO 0.05 0.00 -0.48 -0.62 -1.72 0.00 0.00 179.24 176.47 1wlo n GLU 71 N -3.12 -4.94 -2.35 3.56 1.02 -1.21 -4.95 120.64 108.65 1wlo n GLU 71 Ca 0.03 0.56 -0.42 0.00 -0.02 0.00 0.00 57.16 57.30 1wlo n GLU 71 Cb 0.61 -4.75 -0.03 0.00 -0.02 0.00 0.00 31.44 27.25 1wlo n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wlo s ALA 72 N -3.22 3.53 -1.41 0.62 0.00 -1.26 -4.88 121.76 115.13 1wlo s ALA 72 Ca 0.23 0.75 0.23 0.00 0.00 0.00 0.00 51.96 53.17 1wlo s ALA 72 Cb -0.10 -3.55 1.13 0.00 0.00 0.00 0.00 23.12 20.60 1wlo s ALA 72 CO 0.49 -0.82 1.74 -0.35 0.00 0.00 0.00 175.76 176.81 1wlo n PRO 73 N 5.22 0.31 -0.07 0.00 -0.04 -1.26 -1.29 135.00 137.86 1wlo n PRO 73 Ca 0.12 0.07 -0.22 0.00 -0.04 0.00 0.00 63.50 63.43 1wlo n PRO 73 Cb 0.45 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.29 1.62 -0.02 0.52 -2.24 -1.26 -3.04 114.28 108.56 1wlo n THR 74 Ca 0.10 -0.39 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 1wlo n THR 74 Cb 0.18 -1.82 -0.10 0.00 -2.10 0.00 0.00 70.33 66.49 1wlo n THR 74 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1wlo h VAL 75 N -0.47 1.39 -0.69 2.28 2.07 -1.95 -3.24 116.25 115.64 1wlo h VAL 75 Ca -0.47 -1.50 0.03 0.00 0.82 0.00 0.00 66.70 65.59 1wlo h VAL 75 Cb 1.71 2.37 -0.04 0.00 -1.52 0.00 0.00 31.29 33.80 1wlo h VAL 75 CO -0.12 0.37 0.43 0.50 0.02 0.00 0.00 177.57 178.78 1wlo h LYS 76 N -0.72 0.82 -0.25 1.57 3.64 -1.42 -2.95 116.57 117.27 1wlo h LYS 76 Ca -0.00 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1wlo h LYS 76 Cb 0.64 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 1wlo h LYS 76 CO 0.01 0.54 -0.15 0.00 -2.27 0.00 0.00 179.45 177.58 1wlo n ALA 77 N -2.31 -0.16 -0.34 5.00 0.00 -1.17 -0.53 120.51 121.01 1wlo n ALA 77 Ca 0.07 0.21 -0.05 0.00 0.00 0.00 0.00 53.44 53.68 1wlo n ALA 77 Cb 0.09 0.33 -0.00 0.00 0.00 0.00 0.00 19.45 19.86 1wlo n ALA 77 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1wlo h PHE 78 N 0.00 -1.26 -0.77 0.00 3.57 -1.54 0.27 116.94 117.21 1wlo h PHE 78 Ca 0.04 0.10 0.12 0.00 3.53 0.00 0.00 57.97 61.76 1wlo h PHE 78 Cb 0.10 0.68 -0.13 0.00 2.79 0.00 0.00 35.95 39.39 1wlo h PHE 78 CO -0.94 -0.40 -0.39 0.00 -2.23 0.00 0.00 178.31 174.35 1wlo h ALA 79 N 1.03 -0.06 -0.96 2.41 0.00 -0.74 0.98 119.26 121.92 1wlo h ALA 79 Ca 0.27 0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.53 1wlo h ALA 79 Cb 0.55 0.94 -0.08 0.00 0.00 0.00 0.00 17.79 19.20 1wlo h ALA 79 CO -0.89 -0.71 0.60 0.78 0.00 0.00 0.00 179.25 179.04 1wlo h GLY 80 N -0.11 1.44 0.49 0.00 0.00 0.11 -2.12 103.07 102.88 1wlo h GLY 80 Ca 0.26 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1wlo h GLY 80 CO -0.82 0.05 -0.42 -2.00 0.00 0.00 0.00 176.54 173.36 1wlo h LEU 81 N 0.76 -1.14 -0.45 3.11 6.46 0.21 0.31 115.31 124.57 1wlo h LEU 81 Ca 0.50 0.08 0.04 0.00 -0.12 0.00 0.00 57.88 58.39 1wlo h LEU 81 Cb 0.77 0.36 -0.05 0.00 -0.73 0.00 0.00 40.66 41.01 1wlo h LEU 81 CO -0.27 -0.58 -0.26 0.18 -0.62 0.00 0.00 178.44 176.89 1wlo n LEU 82 N -5.01 -0.47 -0.20 2.25 7.99 -0.66 0.20 117.00 121.09 1wlo n LEU 82 Ca -0.11 1.33 0.22 0.00 -0.01 0.00 0.00 56.01 57.45 1wlo n LEU 82 Cb 0.40 -0.37 0.60 0.00 -0.11 0.00 0.00 43.42 43.93 1wlo n LEU 82 CO 0.24 -0.92 1.23 -0.09 -1.51 0.00 0.00 177.39 176.34 1wlo h ARG 83 N 0.00 0.23 0.00 3.23 2.43 -1.36 2.55 114.38 121.46 1wlo h ARG 83 Ca 0.07 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1wlo h ARG 83 Cb 0.18 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1wlo h ARG 83 CO -0.42 0.15 0.00 0.39 -1.51 0.00 0.00 179.97 178.58 1wlo n GLU 84 N -4.42 0.49 0.00 0.20 -0.58 0.53 -1.98 120.64 114.88 1wlo n GLU 84 Ca 0.18 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1wlo n GLU 84 Cb 0.78 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.15 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 0.53 0.00 0.00 0.62 0.00 0.58 -4.23 105.19 102.69 1wlo n GLY 85 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.40 0.06 -2.54 0.99 7.99 0.72 -2.27 117.00 119.54 1wlo n LEU 86 Ca 0.00 0.23 -0.01 0.00 -0.01 0.00 0.00 56.01 56.22 1wlo n LEU 86 Cb 0.39 -0.51 -0.01 0.00 -0.11 0.00 0.00 43.42 43.18 1wlo n LEU 86 CO 0.00 -0.50 -0.15 1.21 -1.51 0.00 0.00 177.39 176.44 1wlo n GLU 87 N -2.36 -1.77 -3.90 3.23 2.13 -0.84 -2.85 120.64 114.28 1wlo n GLU 87 Ca -0.00 1.41 -0.30 0.00 0.66 0.00 0.00 57.16 58.94 1wlo n GLU 87 Cb 0.01 -1.76 -0.05 0.00 0.27 0.00 0.00 31.44 29.90 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 2.16 -0.43 0.00 8.31 0.00 -1.11 -4.89 105.19 109.22 1wlo n GLY 88 Ca -0.06 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1wlo n GLY 88 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wlo n GLU 89 N -3.60 -0.36 -2.99 1.61 0.00 -1.13 -4.05 120.64 110.11 1wlo n GLU 89 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.96 1wlo n GLU 89 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.89 1wlo n GLU 89 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1wlo s SER 90 N -1.20 6.39 0.00 4.31 1.04 -1.26 0.19 113.70 123.16 1wlo s SER 90 Ca 0.00 0.87 0.22 0.00 0.48 0.00 0.00 55.95 57.51 1wlo s SER 90 Cb 0.00 -2.21 0.97 0.00 0.10 0.00 0.00 66.02 64.88 1wlo s SER 90 CO 0.00 -0.38 1.71 -0.81 0.98 0.00 0.00 173.24 174.73 1wlo n PRO 91 N -1.56 0.07 -0.03 4.02 -0.04 -1.26 -1.83 135.00 134.37 1wlo n PRO 91 Ca -0.00 0.11 -0.14 0.00 -0.04 0.00 0.00 63.50 63.43 1wlo n PRO 91 Cb 0.55 -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 0.39 -0.04 0.00 0.00 175.50 175.85 1wlo n GLU 92 N -1.45 0.68 0.08 0.54 -0.58 -1.26 -3.16 120.64 115.50 1wlo n GLU 92 Ca 0.06 0.23 -0.09 0.00 -0.42 0.00 0.00 57.16 56.95 1wlo n GLU 92 Cb 0.24 -1.71 -0.06 0.00 -0.57 0.00 0.00 31.44 29.34 1wlo n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wlo h ALA 93 N 0.61 0.41 0.00 0.62 0.00 -1.92 0.72 119.26 119.71 1wlo h ALA 93 Ca -0.39 -0.80 -0.01 0.00 0.00 0.00 0.00 54.91 53.71 1wlo h ALA 93 Cb 2.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 1wlo h ALA 93 CO 0.06 1.01 -0.04 0.28 0.00 0.00 0.00 179.25 180.56 1wlo h VAL 94 N 0.07 0.08 0.00 0.00 2.07 -1.52 -2.90 116.25 114.05 1wlo h VAL 94 Ca -0.05 -0.90 -0.21 0.00 0.82 0.00 0.00 66.70 66.36 1wlo h VAL 94 Cb 1.65 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 33.22 1wlo h VAL 94 CO 0.14 0.04 -1.74 0.18 0.02 0.00 0.00 177.57 176.21 1wlo n LEU 95 N -3.12 0.58 -0.28 2.57 4.77 -1.14 -3.83 117.00 116.55 1wlo n LEU 95 Ca 0.02 0.26 0.05 0.00 -0.03 0.00 0.00 56.01 56.31 1wlo n LEU 95 Cb 0.45 0.18 0.18 0.00 -2.33 0.00 0.00 43.42 41.90 1wlo n LEU 95 CO 0.32 0.25 0.63 -1.84 -1.33 0.00 0.00 177.39 175.42 1wlo n GLU 96 N -2.81 1.35 -3.36 3.23 0.28 0.24 -4.77 120.64 114.80 1wlo n GLU 96 Ca -0.15 -0.54 -0.39 0.00 -0.16 0.00 0.00 57.16 55.91 1wlo n GLU 96 Cb 0.91 -1.18 -0.09 0.00 1.43 0.00 0.00 31.44 32.52 1wlo n GLU 96 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1wlo s VAL 97 N -1.82 5.15 0.70 3.84 1.01 -1.11 -3.88 120.40 124.29 1wlo s VAL 97 Ca 0.16 0.65 -0.11 0.00 0.00 0.00 0.00 61.98 62.68 1wlo s VAL 97 Cb 0.08 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1wlo s VAL 97 CO 0.12 0.15 1.06 -2.16 0.00 0.00 0.00 175.10 174.27 1wlo s PRO 98 N 2.06 2.88 0.00 2.72 0.04 -1.26 -4.93 135.00 136.51 1wlo s PRO 98 Ca 0.17 0.93 0.24 0.00 0.04 0.00 0.00 61.00 62.38 1wlo s PRO 98 Cb -0.16 -1.99 1.37 0.00 0.04 0.00 0.00 34.50 33.76 1wlo s PRO 98 CO 0.10 -1.13 1.78 -0.35 0.04 0.00 0.00 177.00 177.44 1wlo n PRO 99 N -3.15 0.65 -0.19 0.56 -0.04 -1.26 -2.32 135.00 129.25 1wlo n PRO 99 Ca 0.07 0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.64 1wlo n PRO 99 Cb 0.54 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.67 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 0.53 4.72 0.33 0.55 0.00 -1.26 -4.66 105.19 105.39 1wlo n GLY 100 Ca 0.16 -1.13 0.22 0.00 0.00 0.00 0.00 46.02 45.27 1wlo n GLY 100 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1wlo h PHE 101 N 0.46 0.00 -0.01 1.61 -0.00 -1.84 0.23 116.94 117.39 1wlo h PHE 101 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1wlo h PHE 101 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.06 1wlo h PHE 101 CO 0.16 0.00 -0.13 2.48 -0.00 0.00 0.00 178.31 180.83 1wlo n TYR 102 N -3.15 0.00 -1.72 6.09 4.11 -1.26 -4.91 117.16 116.33 1wlo n TYR 102 Ca -0.03 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.57 1wlo n TYR 102 Cb 0.10 -0.07 0.04 0.00 -0.00 0.00 0.00 39.34 39.42 1wlo n TYR 102 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1wlo s ARG 103 N -2.27 3.00 -0.84 -3.48 0.52 0.80 -4.39 118.95 112.28 1wlo s ARG 103 Ca 0.31 0.75 -0.02 0.00 -0.52 0.00 0.00 55.73 56.25 1wlo s ARG 103 Cb 0.20 -2.01 -0.02 0.00 0.52 0.00 0.00 34.95 33.64 1wlo s ARG 103 CO 0.43 -1.00 0.76 0.41 0.02 0.00 0.00 175.30 175.93 1wlo n GLY 104 N -2.43 -1.22 0.00 -3.53 0.00 -1.26 -4.92 105.19 91.83 1wlo n GLY 104 Ca 0.07 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -2.26 0.00 0.00 1.61 4.01 -1.26 -5.01 117.16 114.25 1wlo n TYR 105 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1wlo n TYR 105 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 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 0.00 0.00 0.19 2.72 0.00 -1.26 -4.77 105.19 102.08 1wlo n GLY 106 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1wlo n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wlo n LEU 107 N 0.00 1.83 -0.33 0.99 4.77 -1.26 -4.47 117.00 118.53 1wlo n LEU 107 Ca 0.00 0.31 0.24 0.00 -0.03 0.00 0.00 56.01 56.53 1wlo n LEU 107 Cb 0.00 -0.73 0.47 0.00 -2.33 0.00 0.00 43.42 40.82 1wlo n LEU 107 CO 0.00 0.19 1.06 -0.08 -1.33 0.00 0.00 177.39 177.23 1wlo h GLU 108 N -0.92 0.21 -0.99 3.23 4.22 -1.86 1.20 114.58 119.68 1wlo h GLU 108 Ca -0.38 -0.01 0.24 0.00 0.08 0.00 0.00 59.36 59.28 1wlo h GLU 108 Cb 1.30 -0.05 -0.12 0.00 0.50 0.00 0.00 28.75 30.38 1wlo h GLU 108 CO -0.23 0.14 0.58 0.93 -2.18 0.00 0.00 179.01 178.24 1wlo h GLU 109 N 0.22 0.56 0.09 1.92 5.08 -1.96 -1.60 114.58 118.89 1wlo h GLU 109 Ca 0.73 -0.03 -0.36 0.00 -1.00 0.00 0.00 59.36 58.70 1wlo h GLU 109 Cb 1.72 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.81 1wlo h GLU 109 CO -0.67 0.37 -2.01 1.19 -1.00 0.00 0.00 179.01 176.89 1wlo n PHE 110 N -4.89 1.07 -3.43 4.33 3.72 0.37 -4.76 117.46 113.87 1wlo n PHE 110 Ca 0.26 0.25 -0.44 0.00 -0.05 0.00 0.00 57.45 57.47 1wlo n PHE 110 Cb 0.72 -1.15 -0.08 0.00 -0.94 0.00 0.00 39.48 38.03 1wlo n PHE 110 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1wlo s PHE 111 N -2.56 3.27 1.00 1.38 0.08 0.15 -5.06 117.98 116.23 1wlo s PHE 111 Ca -0.21 -1.08 -0.18 0.00 0.12 0.00 0.00 56.93 55.58 1wlo s PHE 111 Cb 0.07 -3.17 -0.14 0.00 -0.57 0.00 0.00 43.02 39.21 1wlo s PHE 111 CO 0.76 -0.82 -0.85 0.25 -0.10 0.00 0.00 175.22 174.46 1wlo n THR 112 N 5.14 0.00 0.87 0.64 -2.24 -1.23 -4.18 114.28 113.29 1wlo n THR 112 Ca -0.12 -0.40 0.11 0.00 -2.27 0.00 0.00 64.05 61.36 1wlo n THR 112 Cb 0.43 -0.04 0.50 0.00 -2.10 0.00 0.00 70.33 69.13 1wlo n THR 112 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1wlo n PRO 113 N 2.21 0.12 -0.04 -0.78 -0.04 -1.26 -2.08 135.00 133.13 1wlo n PRO 113 Ca -0.01 0.11 -0.03 0.00 -0.04 0.00 0.00 63.50 63.52 1wlo n PRO 113 Cb 0.59 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 1wlo n PRO 113 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1wlo n LEU 114 N -1.42 0.97 -0.09 1.53 4.77 -1.26 -4.11 117.00 117.39 1wlo n LEU 114 Ca 0.07 0.39 0.25 0.00 -0.03 0.00 0.00 56.01 56.70 1wlo n LEU 114 Cb 0.23 -0.68 0.72 0.00 -2.33 0.00 0.00 43.42 41.35 1wlo n LEU 114 CO 0.19 -0.46 1.23 0.03 -1.33 0.00 0.00 177.39 177.05 1wlo h ARG 115 N -0.53 0.00 -0.22 3.23 3.08 -1.91 0.54 114.38 118.57 1wlo h ARG 115 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1wlo h ARG 115 Cb 0.32 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 1wlo h ARG 115 CO 0.00 0.00 -0.09 -0.07 -1.07 0.00 0.00 179.97 178.74 1wlo h LEU 116 N 0.00 -0.30 -0.91 3.04 3.38 -1.60 -1.08 115.31 117.83 1wlo h LEU 116 Ca 0.35 0.08 0.31 0.00 0.09 0.00 0.00 57.88 58.71 1wlo h LEU 116 Cb 1.43 0.18 -0.17 0.00 0.09 0.00 0.00 40.66 42.19 1wlo h LEU 116 CO -0.00 -0.12 0.24 0.54 0.09 0.00 0.00 178.44 179.19 1wlo n ARG 117 N -5.25 -0.06 0.31 1.13 3.00 0.18 -0.03 116.66 115.94 1wlo n ARG 117 Ca -0.02 1.31 -0.14 0.00 -0.01 0.00 0.00 57.85 58.99 1wlo n ARG 117 Cb 0.17 -2.20 -0.07 0.00 0.00 0.00 0.00 32.46 30.35 1wlo n ARG 117 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1wlo h GLY 118 N 0.00 -0.87 -0.89 -0.13 0.00 -1.32 -2.41 103.07 97.45 1wlo h GLY 118 Ca 0.65 0.32 0.09 0.00 0.00 0.00 0.00 47.33 48.39 1wlo h GLY 118 CO -0.78 -0.31 -0.56 1.41 0.00 0.00 0.00 176.54 176.29 1wlo h LEU 119 N -1.15 -2.04 -0.85 3.11 4.07 -0.12 0.92 115.31 119.25 1wlo h LEU 119 Ca -0.08 0.31 0.20 0.00 0.08 0.00 0.00 57.88 58.38 1wlo h LEU 119 Cb 0.67 0.90 -0.12 0.00 1.08 0.00 0.00 40.66 43.20 1wlo h LEU 119 CO 0.14 -0.26 0.34 -0.33 -1.08 0.00 0.00 178.44 177.24 1wlo h GLU 120 N -0.07 0.38 -1.00 1.13 5.08 -1.12 0.56 114.58 119.54 1wlo h GLU 120 Ca 0.16 -0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.70 1wlo h GLU 120 Cb 0.46 -0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.51 1wlo h GLU 120 CO -0.89 0.25 0.61 0.00 -1.00 0.00 0.00 179.01 177.99 1wlo h ALA 121 N 1.67 1.71 0.06 3.43 0.00 0.14 -0.94 119.26 125.32 1wlo h ALA 121 Ca 0.51 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.52 1wlo h ALA 121 Cb 0.92 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1wlo h ALA 121 CO -0.51 -0.10 -0.33 0.00 0.00 0.00 0.00 179.25 178.31 1wlo h ALA 122 N 1.66 -0.82 -0.51 0.00 0.00 1.00 1.42 119.26 122.01 1wlo h ALA 122 Ca 0.59 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.54 1wlo h ALA 122 Cb 0.97 0.74 -0.10 0.00 0.00 0.00 0.00 17.79 19.40 1wlo h ALA 122 CO -0.40 -0.90 -0.17 1.25 0.00 0.00 0.00 179.25 179.03 1wlo h LEU 123 N -0.45 -0.61 0.04 0.00 5.85 -1.25 0.25 115.31 119.13 1wlo h LEU 123 Ca -0.00 0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1wlo h LEU 123 Cb 0.46 0.37 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 1wlo h LEU 123 CO -0.18 -0.21 -0.30 -0.07 -0.34 0.00 0.00 178.44 177.34 1wlo h LEU 124 N -0.05 -0.88 -0.30 2.25 3.38 -0.43 0.74 115.31 120.01 1wlo h LEU 124 Ca 0.24 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.39 1wlo h LEU 124 Cb 0.43 0.35 -0.08 0.00 0.09 0.00 0.00 40.66 41.45 1wlo h LEU 124 CO -0.56 -0.37 -0.32 0.03 0.09 0.00 0.00 178.44 177.31 1wlo h ARG 125 N -0.47 -0.29 -0.32 1.13 3.08 0.35 -0.52 114.38 117.33 1wlo h ARG 125 Ca 0.05 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.16 1wlo h ARG 125 Cb 0.54 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 1wlo h ARG 125 CO -0.23 -0.19 0.11 -0.07 -1.07 0.00 0.00 179.97 178.52 1wlo h LEU 126 N -0.30 0.11 -1.96 3.04 3.38 -0.03 0.40 115.31 119.95 1wlo h LEU 126 Ca 0.14 0.04 0.34 0.00 0.09 0.00 0.00 57.88 58.49 1wlo h LEU 126 Cb 0.53 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1wlo h LEU 126 CO -0.47 0.10 0.83 1.56 0.09 0.00 0.00 178.44 180.56 1wlo h GLN 127 N 0.25 0.02 0.00 1.13 4.20 0.20 1.73 115.11 122.64 1wlo h GLN 127 Ca 0.15 -0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.63 1wlo h GLN 127 Cb 0.12 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 1wlo h GLN 127 CO -0.15 0.02 -1.20 0.00 -0.67 0.00 0.00 178.83 176.82 1wlo h ALA 128 N 1.43 0.51 0.00 3.87 0.00 0.25 -3.16 119.26 122.16 1wlo h ALA 128 Ca 0.56 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1wlo h ALA 128 Cb 2.20 0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.05 1wlo h ALA 128 CO -0.03 1.30 0.00 1.04 0.00 0.00 0.00 179.25 181.57 1wlo n GLN 129 N -3.23 0.08 -0.05 0.00 6.02 0.55 -3.00 117.38 117.75 1wlo n GLN 129 Ca -0.05 0.01 -0.02 0.00 -0.01 0.00 0.00 57.00 56.93 1wlo n GLN 129 Cb 0.96 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.71 1wlo n GLN 129 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1wlo h VAL 130 N 0.00 0.00 -1.02 5.09 2.07 -0.35 -3.00 116.25 119.04 1wlo h VAL 130 Ca 0.00 -0.77 0.26 0.00 0.82 0.00 0.00 66.70 67.00 1wlo h VAL 130 Cb 0.45 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.10 1wlo h VAL 130 CO 0.00 0.00 0.62 0.03 0.02 0.00 0.00 177.57 178.24 1wlo h ARG 131 N -0.77 0.50 -0.52 1.57 3.08 -1.65 0.60 114.38 117.19 1wlo h ARG 131 Ca 0.00 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1wlo h ARG 131 Cb 0.21 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1wlo h ARG 131 CO 0.00 0.33 0.08 1.57 -1.07 0.00 0.00 179.97 180.87 1wlo h LYS 132 N 0.51 0.87 -0.35 0.04 5.09 -1.69 -1.93 116.57 119.11 1wlo h LYS 132 Ca 0.63 -0.24 0.08 0.00 0.09 0.00 0.00 60.65 61.22 1wlo h LYS 132 Cb 1.34 -0.10 -0.02 0.00 0.10 0.00 0.00 32.23 33.56 1wlo h LYS 132 CO -0.42 0.86 0.25 0.00 -2.09 0.00 0.00 179.45 178.05 1wlo h ALA 133 N 0.98 2.21 -0.35 0.07 0.00 0.32 1.04 119.26 123.53 1wlo h ALA 133 Ca 0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1wlo h ALA 133 Cb 0.42 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1wlo h ALA 133 CO 0.01 -0.30 0.00 -0.07 0.00 0.00 0.00 179.25 178.90 1wlo h LEU 134 N 0.10 0.60 -3.10 0.00 3.38 -0.49 -2.64 115.31 113.16 1wlo h LEU 134 Ca 0.16 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1wlo h LEU 134 Cb 0.53 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1wlo h LEU 134 CO -0.02 0.76 0.00 1.07 0.09 0.00 0.00 178.44 180.34 1wlo n THR 135 N -4.51 2.06 1.54 0.22 5.66 0.02 -5.13 114.28 114.14 1wlo n THR 135 Ca -0.02 -1.17 0.14 0.00 -3.05 0.00 0.00 64.05 59.95 1wlo n THR 135 Cb 0.27 -0.08 0.56 0.00 -1.55 0.00 0.00 70.33 69.53 1wlo n THR 135 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78