#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 2.01 -1.53 1.12 0.31 -1.26 -4.76 118.33 114.22 1wlo n VAL 2 Ca 0.00 -0.50 -0.29 0.00 -0.01 0.00 0.00 64.34 63.54 1wlo n VAL 2 Cb 0.00 -0.82 0.18 0.00 -0.91 0.00 0.00 33.84 32.29 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 -1.51 0.33 -0.08 5.55 0.04 -1.26 -4.84 135.00 133.23 1wlo s PRO 3 Ca 0.60 -0.02 -0.21 0.00 0.04 0.00 0.00 61.00 61.41 1wlo s PRO 3 Cb -0.71 -1.77 -0.17 0.00 0.04 0.00 0.00 34.50 31.88 1wlo s PRO 3 CO 0.59 -2.69 0.80 -1.00 0.04 0.00 0.00 177.00 174.75 1wlo h PRO 4 N -1.84 -0.11 -1.06 0.56 0.13 -1.92 0.24 132.00 128.00 1wlo h PRO 4 Ca -0.47 0.01 0.41 0.00 -0.87 0.00 0.00 66.00 65.07 1wlo h PRO 4 Cb 1.29 0.03 -0.15 0.00 0.13 0.00 0.00 31.00 32.30 1wlo h PRO 4 CO 0.47 0.42 0.62 1.63 -0.23 0.00 0.00 178.00 180.92 1wlo n LYS 5 N -4.82 -0.05 -0.05 0.86 4.76 -1.26 0.20 118.16 117.80 1wlo n LYS 5 Ca -0.08 1.22 -0.02 0.00 -2.87 0.00 0.00 58.31 56.57 1wlo n LYS 5 Cb 0.29 -2.28 -0.01 0.00 -1.84 0.00 0.00 35.03 31.20 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 -1.63 -0.35 6.46 -1.67 -3.15 115.31 114.98 1wlo h LEU 6 Ca 0.79 0.00 0.49 0.00 -0.12 0.00 0.00 57.88 59.04 1wlo h LEU 6 Cb 2.28 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 42.10 1wlo h LEU 6 CO -0.60 0.51 1.05 0.50 -0.62 0.00 0.00 178.44 179.29 1wlo h LYS 7 N -0.83 0.03 -0.02 1.25 1.63 0.13 1.47 116.57 120.22 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 0.20 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1wlo h LYS 7 CO 0.00 0.02 -0.01 0.37 -3.45 0.00 0.00 179.45 176.38 1wlo h GLN 8 N 0.03 0.04 -0.15 1.90 -0.00 0.21 0.52 115.11 117.66 1wlo h GLN 8 Ca 0.87 -0.02 0.02 0.00 -0.00 0.00 0.00 58.65 59.52 1wlo h GLN 8 Cb 3.04 -0.00 -0.02 0.00 0.00 0.00 0.00 27.48 30.50 1wlo h GLN 8 CO -0.28 0.44 0.03 0.00 0.00 0.00 0.00 178.83 179.02 1wlo h ALA 9 N 0.61 0.15 0.88 3.38 0.00 0.20 0.62 119.26 125.09 1wlo h ALA 9 Ca 0.01 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1wlo h ALA 9 Cb 0.42 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1wlo h ALA 9 CO 0.00 -0.41 -0.42 -0.07 0.00 0.00 0.00 179.25 178.35 1wlo h LEU 10 N 0.10 -1.00 -0.75 0.00 3.38 -0.81 0.20 115.31 116.43 1wlo h LEU 10 Ca 0.07 0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.24 1wlo h LEU 10 Cb 0.05 0.26 -0.12 0.00 0.09 0.00 0.00 40.66 40.94 1wlo h LEU 10 CO -0.08 -0.66 0.10 -0.33 0.09 0.00 0.00 178.44 177.55 1wlo h GLU 11 N -1.29 0.17 -0.56 1.13 5.08 0.16 0.80 114.58 120.08 1wlo h GLU 11 Ca -0.12 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1wlo h GLU 11 Cb 0.90 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 1wlo h GLU 11 CO 0.20 0.11 0.21 1.25 -1.00 0.00 0.00 179.01 179.79 1wlo h LEU 12 N 0.18 0.74 0.83 1.33 5.85 0.40 -1.33 115.31 123.31 1wlo h LEU 12 Ca 0.42 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 59.01 1wlo h LEU 12 Cb 0.75 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.60 1wlo h LEU 12 CO -0.60 0.67 -0.40 0.15 -0.34 0.00 0.00 178.44 177.93 1wlo h PHE 13 N 0.80 -1.03 0.00 1.25 3.57 0.37 1.66 116.94 123.55 1wlo h PHE 13 Ca 0.19 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1wlo h PHE 13 Cb 0.17 0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1wlo h PHE 13 CO 0.01 -0.64 0.15 -0.22 -2.23 0.00 0.00 178.31 175.38 1wlo h LYS 14 N -1.23 0.00 0.10 1.11 3.64 -0.74 0.15 116.57 119.60 1wlo h LYS 14 Ca -0.11 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.91 1wlo h LYS 14 Cb 0.86 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 1wlo h LYS 14 CO 0.19 0.00 -2.00 0.45 -2.27 0.00 0.00 179.45 175.82 1wlo n SER 15 N -2.69 1.90 -4.74 4.20 2.88 -0.51 -4.93 113.62 109.72 1wlo n SER 15 Ca -0.02 0.21 -0.33 0.00 -1.33 0.00 0.00 58.87 57.40 1wlo n SER 15 Cb 0.20 -0.68 0.08 0.00 -0.75 0.00 0.00 64.21 63.06 1wlo n SER 15 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wlo s LEU 16 N -6.84 3.25 0.14 2.46 1.43 0.56 -4.96 118.68 114.72 1wlo s LEU 16 Ca -0.20 2.11 -0.30 0.00 -1.03 0.00 0.00 54.13 54.70 1wlo s LEU 16 Cb 0.07 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.66 1wlo s LEU 16 CO 0.77 -2.07 1.13 -2.16 0.23 0.00 0.00 176.35 174.25 1wlo s PRO 17 N -4.22 4.54 0.01 1.29 0.04 -1.26 -4.73 135.00 130.67 1wlo s PRO 17 Ca 0.68 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 63.43 1wlo s PRO 17 Cb -0.23 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.01 1wlo s PRO 17 CO 0.47 -0.03 0.79 1.17 0.04 0.00 0.00 177.00 179.43 1wlo n LYS 18 N 2.83 -0.04 -0.27 4.56 4.81 -1.26 0.17 118.16 128.95 1wlo n LYS 18 Ca 0.05 0.79 0.08 0.00 -0.87 0.00 0.00 58.31 58.35 1wlo n LYS 18 Cb 0.46 -1.18 0.16 0.00 0.02 0.00 0.00 35.03 34.50 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 -3.01 -0.07 -0.02 1.64 0.28 -1.26 0.18 120.64 118.37 1wlo n GLU 19 Ca 0.00 1.18 -0.13 0.00 -0.16 0.00 0.00 57.16 58.05 1wlo n GLU 19 Cb 0.02 -1.81 -0.09 0.00 1.43 0.00 0.00 31.44 30.99 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 0.10 -1.05 -1.84 3.38 0.13 -3.04 115.31 113.00 1wlo h LEU 20 Ca 0.42 -0.48 0.43 0.00 0.09 0.00 0.00 57.88 58.33 1wlo h LEU 20 Cb 0.75 -0.03 -0.18 0.00 0.09 0.00 0.00 40.66 41.30 1wlo h LEU 20 CO -0.76 0.56 0.58 0.54 0.09 0.00 0.00 178.44 179.45 1wlo n ARG 21 N -4.78 -0.06 0.11 1.13 1.74 0.47 0.13 116.66 115.40 1wlo n ARG 21 Ca -0.08 1.36 -0.13 0.00 -0.77 0.00 0.00 57.85 58.23 1wlo n ARG 21 Cb 0.28 -2.48 -0.08 0.00 -1.02 0.00 0.00 32.46 29.16 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 -0.20 0.16 0.55 0.87 -0.99 -0.00 113.55 113.94 1wlo h SER 22 Ca 0.85 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 61.26 1wlo h SER 22 Cb 2.32 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 64.33 1wlo h SER 22 CO -0.73 0.01 -0.10 1.56 -0.53 0.00 0.00 176.83 177.04 1wlo h GLN 23 N -0.41 0.00 0.24 2.24 4.20 0.10 -2.22 115.11 119.27 1wlo h GLN 23 Ca -0.02 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1wlo h GLN 23 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1wlo h GLN 23 CO 0.04 0.10 -0.12 0.28 -0.67 0.00 0.00 178.83 178.47 1wlo h VAL 24 N 0.00 0.77 -0.89 -0.54 2.07 0.35 -1.14 116.25 116.87 1wlo h VAL 24 Ca -0.00 -0.79 0.22 0.00 0.82 0.00 0.00 66.70 66.94 1wlo h VAL 24 Cb 0.21 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 1wlo h VAL 24 CO 0.01 0.16 0.60 -0.07 0.02 0.00 0.00 177.57 178.29 1wlo h LEU 25 N -0.78 0.30 0.56 2.57 3.38 -0.64 -0.87 115.31 119.83 1wlo h LEU 25 Ca -0.03 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1wlo h LEU 25 Cb 0.51 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.24 1wlo h LEU 25 CO 0.05 0.12 -0.27 -0.07 0.09 0.00 0.00 178.44 178.36 1wlo h LEU 26 N 0.30 -0.63 -0.90 1.67 -0.00 -1.23 -3.13 115.31 111.39 1wlo h LEU 26 Ca 0.46 0.02 0.16 0.00 -0.00 0.00 0.00 57.88 58.52 1wlo h LEU 26 Cb 1.30 0.16 -0.16 0.00 -0.00 0.00 0.00 40.66 41.96 1wlo h LEU 26 CO -0.14 -0.28 -0.30 -0.33 -0.00 0.00 0.00 178.44 177.39 1wlo h GLU 27 N -1.09 -0.02 -0.80 1.13 5.08 -0.11 0.12 114.58 118.89 1wlo h GLU 27 Ca -0.08 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1wlo h GLU 27 Cb 0.57 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.71 1wlo h GLU 27 CO 0.13 -0.01 -0.50 1.88 -1.00 0.00 0.00 179.01 179.50 1wlo h TYR 28 N -0.02 -1.52 -0.95 4.33 -1.99 -1.23 1.07 116.97 116.66 1wlo h TYR 28 Ca 0.38 0.10 0.17 0.00 2.00 0.00 0.00 58.73 61.38 1wlo h TYR 28 Cb 0.63 0.77 -0.08 0.00 2.00 0.00 0.00 36.73 40.05 1wlo h TYR 28 CO -0.75 -0.41 0.60 0.00 -0.00 0.00 0.00 178.16 177.60 1wlo h ALA 29 N 0.65 1.79 0.00 3.88 0.00 -0.73 1.12 119.26 125.97 1wlo h ALA 29 Ca 0.19 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1wlo h ALA 29 Cb 0.52 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wlo h ALA 29 CO -0.83 -0.09 -0.09 0.00 0.00 0.00 0.00 179.25 178.24 1wlo h ALA 30 N 1.60 1.25 -1.00 0.00 0.00 0.18 -1.86 119.26 119.43 1wlo h ALA 30 Ca 0.51 -0.08 -0.70 0.00 0.00 0.00 0.00 54.91 54.64 1wlo h ALA 30 Cb 0.82 -0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.31 1wlo h ALA 30 CO -0.27 0.11 0.91 1.63 0.00 0.00 0.00 179.25 181.64 1wlo n LYS 31 N -3.55 2.70 -3.86 0.00 4.01 0.39 -4.81 118.16 113.05 1wlo n LYS 31 Ca -0.02 -3.34 -0.30 0.00 -0.51 0.00 0.00 58.31 54.14 1wlo n LYS 31 Cb 0.22 -2.29 -0.15 0.00 -0.51 0.00 0.00 35.03 32.30 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 -4.88 1.67 0.64 -0.18 1.01 -0.70 -4.97 120.40 112.99 1wlo s VAL 32 Ca 0.62 -2.17 -0.13 0.00 0.00 0.00 0.00 61.98 60.31 1wlo s VAL 32 Cb 0.50 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 1wlo s VAL 32 CO -0.09 -0.70 1.05 -2.16 0.00 0.00 0.00 175.10 173.20 1wlo s PRO 33 N 0.92 3.15 0.61 2.72 0.04 -1.26 -5.04 135.00 136.14 1wlo s PRO 33 Ca 0.12 1.06 -0.14 0.00 0.04 0.00 0.00 61.00 62.08 1wlo s PRO 33 Cb -0.20 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 1wlo s PRO 33 CO -0.12 -0.93 1.05 -1.25 0.04 0.00 0.00 177.00 175.79 1wlo s PRO 34 N -4.59 3.28 0.80 0.56 0.04 -1.26 -4.77 135.00 129.07 1wlo s PRO 34 Ca 0.60 1.11 -0.12 0.00 0.04 0.00 0.00 61.00 62.64 1wlo s PRO 34 Cb -0.15 -2.03 0.07 0.00 0.04 0.00 0.00 34.50 32.44 1wlo s PRO 34 CO 0.46 -0.83 1.10 -1.25 0.04 0.00 0.00 177.00 176.52 1wlo s PRO 35 N -4.34 2.03 0.69 0.56 0.04 -1.26 -5.04 135.00 127.66 1wlo s PRO 35 Ca 0.62 0.62 -0.11 0.00 0.04 0.00 0.00 61.00 62.16 1wlo s PRO 35 Cb -0.15 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1wlo s PRO 35 CO 0.41 -1.66 1.06 -1.25 0.04 0.00 0.00 177.00 175.61 1wlo s PRO 36 N -5.16 2.98 -0.25 0.56 0.04 -1.26 -4.98 135.00 126.92 1wlo s PRO 36 Ca 0.61 0.98 -0.29 0.00 0.04 0.00 0.00 61.00 62.33 1wlo s PRO 36 Cb -0.14 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1wlo s PRO 36 CO 0.54 -1.07 1.32 -1.25 0.04 0.00 0.00 177.00 176.59 1wlo s PRO 37 N -4.96 3.99 0.00 0.56 0.04 -1.26 -3.55 135.00 129.82 1wlo s PRO 37 Ca 0.58 1.41 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1wlo s PRO 37 Cb -0.14 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1wlo s PRO 37 CO 0.53 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.96 1wlo n GLY 38 N 4.16 3.17 3.35 0.56 0.00 -1.26 -5.10 105.19 110.07 1wlo n GLY 38 Ca 0.15 -0.74 -0.46 0.00 0.00 0.00 0.00 46.02 44.97 1wlo n GLY 38 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wlo n VAL 39 N 0.00 1.56 -4.21 1.61 3.14 -1.23 -4.92 118.33 114.28 1wlo n VAL 39 Ca 0.00 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.54 1wlo n VAL 39 Cb 0.00 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 32.66 1wlo n VAL 39 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1wlo s GLU 40 N -0.99 3.67 -0.03 1.45 2.12 -1.26 -4.99 118.70 118.67 1wlo s GLU 40 Ca 0.62 -0.50 -0.02 0.00 0.36 0.00 0.00 54.97 55.43 1wlo s GLU 40 Cb -0.83 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 1wlo s GLU 40 CO 0.58 0.13 0.08 -0.51 -0.54 0.00 0.00 175.26 175.00 1wlo s LEU 41 N 0.68 3.92 -0.19 2.70 1.43 -1.26 -4.78 118.68 121.17 1wlo s LEU 41 Ca -0.01 0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 53.19 1wlo s LEU 41 Cb -0.14 -2.18 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 1wlo s LEU 41 CO 0.02 0.31 0.11 -0.70 0.23 0.00 0.00 176.35 176.32 1wlo s GLU 42 N -1.51 4.12 0.49 1.70 2.12 -0.24 -4.79 118.70 120.60 1wlo s GLU 42 Ca 0.20 -0.25 -0.22 0.00 0.36 0.00 0.00 54.97 55.06 1wlo s GLU 42 Cb -0.12 -3.36 -0.06 0.00 0.26 0.00 0.00 34.13 30.85 1wlo s GLU 42 CO 0.11 0.30 1.23 0.50 -0.54 0.00 0.00 175.26 176.86 1wlo s ARG 43 N 0.34 3.52 -0.74 4.30 3.52 -1.26 -1.66 118.95 126.97 1wlo s ARG 43 Ca 0.07 1.94 -0.11 0.00 -0.13 0.00 0.00 55.73 57.50 1wlo s ARG 43 Cb -0.11 -2.34 0.19 0.00 -1.56 0.00 0.00 34.95 31.13 1wlo s ARG 43 CO -0.01 -0.80 0.65 0.08 -0.81 0.00 0.00 175.30 174.41 1wlo s VAL 44 N -1.46 5.03 0.17 7.11 1.01 0.33 -4.91 120.40 127.68 1wlo s VAL 44 Ca 0.67 -2.52 -0.15 0.00 0.00 0.00 0.00 61.98 59.98 1wlo s VAL 44 Cb -0.33 -4.16 0.07 0.00 0.00 0.00 0.00 36.38 31.96 1wlo s VAL 44 CO 0.39 -0.97 1.71 0.45 0.00 0.00 0.00 175.10 176.68 1wlo h HIS 45 N 7.67 0.05 -0.96 5.22 3.86 -1.89 -0.80 115.15 128.30 1wlo h HIS 45 Ca 0.04 0.03 0.36 0.00 -1.16 0.00 0.00 60.37 59.63 1wlo h HIS 45 Cb 1.02 0.04 -0.17 0.00 1.06 0.00 0.00 27.41 29.36 1wlo h HIS 45 CO 0.92 -0.04 0.37 -1.91 0.86 0.00 0.00 177.93 178.13 1wlo n GLU 46 N -5.15 -0.06 -3.18 2.45 4.07 -1.26 -4.15 120.64 113.36 1wlo n GLU 46 Ca 0.03 1.35 -0.36 0.00 -0.06 0.00 0.00 57.16 58.12 1wlo n GLU 46 Cb 0.20 -2.34 -0.06 0.00 -0.06 0.00 0.00 31.44 29.18 1wlo n GLU 46 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1wlo h GLN 48 N 3.40 -1.14 -7.20 0.00 1.08 -1.80 -3.44 115.11 106.01 1wlo h GLN 48 Ca -0.48 0.08 -0.53 0.00 -1.45 0.00 0.00 58.65 56.27 1wlo h GLN 48 Cb 1.19 0.26 0.16 0.00 -0.05 0.00 0.00 27.48 29.04 1wlo h GLN 48 CO 0.65 -0.76 0.36 0.95 -0.95 0.00 0.00 178.83 179.09 1wlo s THR 49 N -5.44 2.30 -1.16 -0.54 -4.23 -1.26 -4.85 115.64 100.46 1wlo s THR 49 Ca -0.17 0.14 -0.19 0.00 -1.18 0.00 0.00 61.69 60.28 1wlo s THR 49 Cb 0.02 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 1wlo s THR 49 CO 0.52 -0.09 1.97 -0.81 -0.54 0.00 0.00 174.62 175.66 1wlo n PRO 50 N -3.04 2.27 -3.02 3.99 -0.04 -1.26 -4.75 135.00 129.13 1wlo n PRO 50 Ca 0.13 -2.51 -0.41 0.00 -0.04 0.00 0.00 63.50 60.67 1wlo n PRO 50 Cb 0.51 -3.33 -0.06 0.00 -0.04 0.00 0.00 33.50 30.59 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 5.67 3.26 -0.13 0.54 5.36 -1.26 -4.57 117.98 126.85 1wlo s PHE 51 Ca 0.56 0.87 -0.03 0.00 -0.96 0.00 0.00 56.93 57.37 1wlo s PHE 51 Cb 0.09 -2.99 -0.03 0.00 -0.34 0.00 0.00 43.02 39.75 1wlo s PHE 51 CO 0.06 -0.41 -0.03 -0.06 -1.46 0.00 0.00 175.22 173.32 1wlo s PHE 52 N 2.70 3.04 0.15 10.12 0.08 -1.19 0.12 117.98 133.00 1wlo s PHE 52 Ca 0.29 -0.16 0.03 0.00 0.12 0.00 0.00 56.93 57.21 1wlo s PHE 52 Cb -0.15 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.35 1wlo s PHE 52 CO 0.09 0.10 -0.05 0.14 -0.10 0.00 0.00 175.22 175.40 1wlo s VAL 53 N 0.01 0.89 -0.29 -0.44 -7.23 -0.67 -1.65 120.40 111.01 1wlo s VAL 53 Ca 0.01 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.14 1wlo s VAL 53 Cb -0.13 -1.92 0.17 0.00 0.56 0.00 0.00 36.38 35.06 1wlo s VAL 53 CO 0.02 -0.67 0.60 -2.28 -0.31 0.00 0.00 175.10 172.46 1wlo s HIS 54 N -3.51 -1.48 -0.11 2.82 5.04 -0.58 -1.08 115.29 116.40 1wlo s HIS 54 Ca 0.18 1.84 -0.05 0.00 -1.54 0.00 0.00 55.06 55.49 1wlo s HIS 54 Cb 0.05 0.60 -0.04 0.00 0.04 0.00 0.00 32.58 33.23 1wlo s HIS 54 CO 0.01 -0.81 0.10 0.00 -2.34 0.00 0.00 174.74 171.70 1wlo s ALA 55 N 2.85 3.70 0.19 1.58 0.00 -1.26 -2.36 121.76 126.45 1wlo s ALA 55 Ca 0.13 -0.69 -0.24 0.00 0.00 0.00 0.00 51.96 51.16 1wlo s ALA 55 Cb -0.14 -1.82 0.05 0.00 0.00 0.00 0.00 23.12 21.21 1wlo s ALA 55 CO -0.20 0.61 0.91 -0.51 0.00 0.00 0.00 175.76 176.57 1wlo s ASP 56 N -0.99 -0.18 -0.06 0.00 1.01 -1.11 -4.49 116.67 110.85 1wlo s ASP 56 Ca 0.15 -0.48 -0.00 0.00 0.71 0.00 0.00 52.55 52.93 1wlo s ASP 56 Cb -0.12 0.55 0.03 0.00 1.01 0.00 0.00 42.92 44.39 1wlo s ASP 56 CO 0.04 -1.02 -0.01 0.54 0.21 0.00 0.00 175.17 174.92 1wlo s VAL 57 N -3.37 0.41 -0.26 -1.27 0.11 -1.26 0.25 120.40 115.01 1wlo s VAL 57 Ca 0.12 0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.18 1wlo s VAL 57 Cb -0.03 -0.52 0.03 0.00 -1.53 0.00 0.00 36.38 34.34 1wlo s VAL 57 CO 0.04 0.24 -0.04 -1.61 -3.33 0.00 0.00 175.10 170.40 1wlo s GLU 58 N 1.50 2.81 0.00 1.54 2.02 0.22 -4.86 118.70 121.93 1wlo s GLU 58 Ca -0.02 -1.00 0.00 0.00 0.02 0.00 0.00 54.97 53.97 1wlo s GLU 58 Cb -0.13 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.04 1wlo s GLU 58 CO -0.03 -0.43 0.00 0.41 0.02 0.00 0.00 175.26 175.23 1wlo n GLY 59 N 4.69 2.33 0.83 -1.39 0.00 -1.26 -3.23 105.19 107.15 1wlo n GLY 59 Ca -0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 46.02 45.69 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 0.69 3.08 -0.02 0.00 -1.26 -5.13 105.19 102.56 1wlo n GLY 60 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 0.55 0.42 1.61 1.02 -1.20 -4.81 119.74 117.33 1wlo s LYS 61 Ca 0.01 -0.88 -0.14 0.00 0.02 0.00 0.00 55.97 54.98 1wlo s LYS 61 Cb 0.01 0.20 -0.08 0.00 -0.52 0.00 0.00 37.83 37.45 1wlo s LYS 61 CO -0.01 -0.12 0.83 0.08 -0.92 0.00 0.00 175.35 175.22 1wlo s VAL 62 N -2.84 4.67 -0.29 3.17 1.01 0.22 -0.61 120.40 125.72 1wlo s VAL 62 Ca -0.03 0.90 -0.01 0.00 0.00 0.00 0.00 61.98 62.85 1wlo s VAL 62 Cb 0.00 -3.70 0.09 0.00 0.00 0.00 0.00 36.38 32.78 1wlo s VAL 62 CO -0.06 -0.49 0.07 -0.13 0.00 0.00 0.00 175.10 174.49 1wlo s ARG 63 N -3.70 0.85 0.17 2.72 1.81 0.71 -2.73 118.95 118.77 1wlo s ARG 63 Ca 0.55 -1.05 -0.21 0.00 -1.72 0.00 0.00 55.73 53.29 1wlo s ARG 63 Cb -0.10 -2.15 -0.08 0.00 -0.45 0.00 0.00 34.95 32.17 1wlo s ARG 63 CO 0.27 -0.91 0.70 -0.51 -0.68 0.00 0.00 175.30 174.18 1wlo s LEU 64 N 1.57 4.47 -0.09 2.53 1.43 -1.26 -2.75 118.68 124.58 1wlo s LEU 64 Ca 0.07 1.45 -0.03 0.00 -1.03 0.00 0.00 54.13 54.59 1wlo s LEU 64 Cb -0.17 -3.33 0.05 0.00 0.03 0.00 0.00 46.19 42.76 1wlo s LEU 64 CO -0.20 0.15 0.17 -0.31 0.23 0.00 0.00 176.35 176.38 1wlo s TYR 65 N -1.31 -0.19 0.15 0.29 2.02 -1.00 -5.01 117.35 112.31 1wlo s TYR 65 Ca 0.37 0.63 0.09 0.00 -0.37 0.00 0.00 57.07 57.80 1wlo s TYR 65 Cb -0.19 -0.25 -0.04 0.00 -0.40 0.00 0.00 41.96 41.08 1wlo s TYR 65 CO 0.22 -0.28 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.66 1wlo s PHE 66 N 2.30 1.95 -0.16 2.71 0.08 -1.26 -1.52 117.98 122.09 1wlo s PHE 66 Ca 0.03 -0.43 -0.04 0.00 0.12 0.00 0.00 56.93 56.61 1wlo s PHE 66 Cb -0.12 -1.00 0.07 0.00 -0.57 0.00 0.00 43.02 41.39 1wlo s PHE 66 CO -0.06 0.34 0.14 -1.58 -0.10 0.00 0.00 175.22 173.96 1wlo s HIS 67 N -1.68 -0.02 -0.25 0.36 5.65 -0.66 -4.43 115.29 114.26 1wlo s HIS 67 Ca 0.14 0.04 -0.04 0.00 0.25 0.00 0.00 55.06 55.46 1wlo s HIS 67 Cb -0.08 -0.51 0.01 0.00 -1.18 0.00 0.00 32.58 30.82 1wlo s HIS 67 CO 0.07 -0.48 -0.02 0.08 -0.65 0.00 0.00 174.74 173.74 1wlo s VAL 68 N 2.22 3.38 -0.08 0.89 1.01 -1.26 -3.16 120.40 123.41 1wlo s VAL 68 Ca 0.04 -0.69 -0.22 0.00 0.00 0.00 0.00 61.98 61.11 1wlo s VAL 68 Cb -0.15 -2.64 -0.18 0.00 0.00 0.00 0.00 36.38 33.41 1wlo s VAL 68 CO -0.09 0.28 0.84 1.55 0.00 0.00 0.00 175.10 177.67 1wlo h PRO 69 N 8.11 -0.09 0.00 2.72 0.13 -2.00 -3.16 132.00 137.71 1wlo h PRO 69 Ca -0.37 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1wlo h PRO 69 Cb 1.14 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1wlo h PRO 69 CO 0.59 0.48 0.00 -3.47 -0.23 0.00 0.00 178.00 175.37 1wlo n ASP 70 N -4.81 0.00 -3.88 1.44 -0.08 -1.26 -4.86 116.55 103.10 1wlo n ASP 70 Ca -0.08 -0.96 -0.31 0.00 -1.51 0.00 0.00 54.79 51.94 1wlo n ASP 70 Cb 0.30 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.74 1wlo n ASP 70 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1wlo n GLU 71 N -0.97 -3.08 -1.65 -0.67 0.28 -1.20 -4.82 120.64 108.55 1wlo n GLU 71 Ca 0.20 0.37 -0.44 0.00 -0.16 0.00 0.00 57.16 57.13 1wlo n GLU 71 Cb 0.09 -5.08 -0.01 0.00 1.43 0.00 0.00 31.44 27.87 1wlo n GLU 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wlo n ALA 72 N -3.99 0.58 0.05 -1.84 0.00 -1.26 -4.85 120.51 109.20 1wlo n ALA 72 Ca 0.05 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.74 1wlo n ALA 72 Cb 0.50 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 1wlo n ALA 72 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1wlo h PRO 73 N 2.49 0.47 0.00 0.00 0.13 -1.98 0.12 132.00 133.23 1wlo h PRO 73 Ca -0.43 -0.45 -0.14 0.00 -0.87 0.00 0.00 66.00 64.11 1wlo h PRO 73 Cb 1.31 0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.54 1wlo h PRO 73 CO 0.63 1.10 -0.66 1.79 -0.23 0.00 0.00 178.00 180.63 1wlo h THR 74 N 0.28 1.19 0.07 1.56 1.35 -1.95 0.11 112.91 115.53 1wlo h THR 74 Ca -0.07 -2.51 -0.10 0.00 -0.55 0.00 0.00 66.41 63.18 1wlo h THR 74 Cb 1.49 2.47 0.01 0.00 -1.73 0.00 0.00 68.15 70.40 1wlo h THR 74 CO 0.16 0.64 -0.45 0.58 -0.25 0.00 0.00 175.52 176.20 1wlo h VAL 75 N 0.00 1.63 -0.30 6.82 2.07 -1.93 -3.27 116.25 121.27 1wlo h VAL 75 Ca -0.01 -2.44 -0.09 0.00 0.82 0.00 0.00 66.70 64.99 1wlo h VAL 75 Cb 1.42 3.27 -0.01 0.00 -1.52 0.00 0.00 31.29 34.45 1wlo h VAL 75 CO 0.09 0.66 -0.16 0.50 0.02 0.00 0.00 177.57 178.68 1wlo h LYS 76 N -0.68 0.63 -0.22 1.57 3.64 -0.83 -2.53 116.57 118.15 1wlo h LYS 76 Ca -0.08 -0.28 0.02 0.00 -1.27 0.00 0.00 60.65 59.04 1wlo h LYS 76 Cb 1.34 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.11 1wlo h LYS 76 CO 0.07 0.86 -0.13 0.00 -2.27 0.00 0.00 179.45 177.98 1wlo h ALA 77 N 0.75 -0.13 0.27 5.00 0.00 -0.90 0.59 119.26 124.84 1wlo h ALA 77 Ca 0.06 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1wlo h ALA 77 Cb 0.68 1.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 1wlo h ALA 77 CO 0.05 -0.22 -0.45 0.35 0.00 0.00 0.00 179.25 178.98 1wlo h PHE 78 N -0.00 -1.25 -1.28 0.00 3.57 -1.61 0.15 116.94 116.51 1wlo h PHE 78 Ca 0.04 0.02 0.45 0.00 3.53 0.00 0.00 57.97 62.01 1wlo h PHE 78 Cb 0.09 0.51 -0.15 0.00 2.79 0.00 0.00 35.95 39.20 1wlo h PHE 78 CO -0.96 -0.57 0.80 0.00 -2.23 0.00 0.00 178.31 175.36 1wlo h ALA 79 N -0.43 2.66 0.00 2.41 0.00 -0.84 1.09 119.26 124.15 1wlo h ALA 79 Ca -0.01 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1wlo h ALA 79 Cb 0.74 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.79 1wlo h ALA 79 CO -0.17 -1.35 -0.28 0.78 0.00 0.00 0.00 179.25 178.22 1wlo h GLY 80 N 0.03 0.21 1.09 0.00 0.00 0.18 -3.02 103.07 101.57 1wlo h GLY 80 Ca 0.86 -0.37 0.11 0.00 0.00 0.00 0.00 47.33 47.92 1wlo h GLY 80 CO -0.52 0.33 0.37 -2.00 0.00 0.00 0.00 176.54 174.71 1wlo h LEU 81 N -0.49 0.24 0.29 3.11 7.12 0.36 1.54 115.31 127.49 1wlo h LEU 81 Ca -0.04 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.97 1wlo h LEU 81 Cb 1.05 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.14 1wlo h LEU 81 CO 0.06 0.15 -0.14 -0.07 -0.13 0.00 0.00 178.44 178.30 1wlo h LEU 82 N 0.27 -0.33 -0.80 2.25 3.38 -0.10 -2.77 115.31 117.21 1wlo h LEU 82 Ca 0.25 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 1wlo h LEU 82 Cb 0.62 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1wlo h LEU 82 CO -0.05 -0.08 -0.59 0.08 0.09 0.00 0.00 178.44 177.89 1wlo h ARG 83 N -0.57 0.04 -0.79 1.13 0.11 -1.10 -2.31 114.38 110.89 1wlo h ARG 83 Ca -0.04 -0.03 0.18 0.00 0.10 0.00 0.00 59.98 60.19 1wlo h ARG 83 Cb 0.42 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.45 1wlo h ARG 83 CO 0.06 0.61 0.54 1.05 0.10 0.00 0.00 179.97 182.33 1wlo h GLU 84 N 0.03 0.32 -0.67 0.08 -0.00 0.23 0.52 114.58 115.09 1wlo h GLU 84 Ca -0.01 -0.02 -0.44 0.00 -0.00 0.00 0.00 59.36 58.90 1wlo h GLU 84 Cb 1.04 -0.07 -0.42 0.00 -0.00 0.00 0.00 28.75 29.30 1wlo h GLU 84 CO 0.08 0.21 -0.93 0.41 -0.00 0.00 0.00 179.01 178.78 1wlo n GLY 85 N -1.55 4.65 0.88 1.06 0.00 -1.06 -4.62 105.19 104.55 1wlo n GLY 85 Ca 0.16 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.65 0.00 -4.44 0.99 4.77 -0.65 -3.92 117.00 113.10 1wlo n LEU 86 Ca 0.30 0.00 -0.49 0.00 -0.03 0.00 0.00 56.01 55.79 1wlo n LEU 86 Cb 0.90 0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 42.07 1wlo n LEU 86 CO 0.28 -0.22 1.86 1.21 -1.33 0.00 0.00 177.39 179.18 1wlo n GLU 87 N -1.94 0.89 0.00 3.23 0.00 0.17 0.21 120.64 123.21 1wlo n GLU 87 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 57.16 57.37 1wlo n GLU 87 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 31.44 29.05 1wlo n GLU 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wlo n GLY 88 N 6.58 3.19 2.99 8.31 0.00 -1.10 -4.96 105.19 120.19 1wlo n GLY 88 Ca 0.44 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.18 1wlo n GLY 88 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wlo n GLU 89 N -1.51 -4.23 -2.82 1.61 -0.58 0.58 -4.00 120.64 109.69 1wlo n GLU 89 Ca 0.00 -1.41 -0.26 0.00 -0.42 0.00 0.00 57.16 55.07 1wlo n GLU 89 Cb 0.00 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 1wlo n GLU 89 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1wlo s SER 90 N -3.33 6.18 0.08 1.62 0.01 -1.26 0.69 113.70 117.69 1wlo s SER 90 Ca 0.62 0.75 0.23 0.00 1.31 0.00 0.00 55.95 58.86 1wlo s SER 90 Cb -0.10 -2.10 0.92 0.00 0.21 0.00 0.00 66.02 64.95 1wlo s SER 90 CO 0.51 -0.56 1.71 -0.81 0.41 0.00 0.00 173.24 174.50 1wlo n PRO 91 N -2.16 0.07 -0.05 12.44 -0.04 -1.26 -1.63 135.00 142.38 1wlo n PRO 91 Ca -0.00 0.19 -0.15 0.00 -0.04 0.00 0.00 63.50 63.49 1wlo n PRO 91 Cb 0.56 -1.61 -0.14 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.74 0.69 0.04 0.54 -0.58 -1.26 -3.52 120.64 114.80 1wlo n GLU 92 Ca 0.05 0.21 -0.12 0.00 -0.42 0.00 0.00 57.16 56.87 1wlo n GLU 92 Cb 0.28 -1.67 -0.01 0.00 -0.57 0.00 0.00 31.44 29.47 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 0.46 0.48 0.00 0.62 0.00 -1.88 0.37 119.26 119.30 1wlo h ALA 93 Ca -0.44 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 53.82 1wlo h ALA 93 Cb 2.04 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 1wlo h ALA 93 CO 0.04 0.76 -0.11 0.28 0.00 0.00 0.00 179.25 180.22 1wlo h VAL 94 N 0.31 0.32 0.07 0.00 2.07 -1.48 -2.55 116.25 115.00 1wlo h VAL 94 Ca -0.05 -0.73 -0.32 0.00 0.82 0.00 0.00 66.70 66.43 1wlo h VAL 94 Cb 1.40 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 1wlo h VAL 94 CO 0.14 0.11 -1.75 -0.07 0.02 0.00 0.00 177.57 176.03 1wlo h LEU 95 N 0.00 0.23 -0.18 2.57 3.38 -1.54 -3.29 115.31 116.49 1wlo h LEU 95 Ca -0.00 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1wlo h LEU 95 Cb 0.54 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1wlo h LEU 95 CO 0.01 1.39 0.00 -0.62 0.09 0.00 0.00 178.44 179.32 1wlo n GLU 96 N -3.29 0.03 -2.48 1.13 -0.58 0.10 -4.63 120.64 110.91 1wlo n GLU 96 Ca -0.21 0.40 -0.42 0.00 -0.42 0.00 0.00 57.16 56.50 1wlo n GLU 96 Cb 1.05 -1.57 -0.03 0.00 -0.57 0.00 0.00 31.44 30.32 1wlo n GLU 96 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1wlo s VAL 97 N -3.07 4.25 0.80 2.62 1.01 -1.08 -4.35 120.40 120.57 1wlo s VAL 97 Ca 0.03 1.60 -0.11 0.00 0.00 0.00 0.00 61.98 63.49 1wlo s VAL 97 Cb 0.05 -4.03 0.07 0.00 0.00 0.00 0.00 36.38 32.48 1wlo s VAL 97 CO 0.16 0.07 1.10 -2.16 0.00 0.00 0.00 175.10 174.26 1wlo s PRO 98 N 1.60 2.08 0.00 2.72 0.04 -1.26 -4.93 135.00 135.25 1wlo s PRO 98 Ca 0.56 0.64 0.24 0.00 0.04 0.00 0.00 61.00 62.48 1wlo s PRO 98 Cb -0.26 -1.92 1.36 0.00 0.04 0.00 0.00 34.50 33.72 1wlo s PRO 98 CO 0.26 -1.62 1.78 -0.35 0.04 0.00 0.00 177.00 177.10 1wlo n PRO 99 N -3.43 0.64 -3.00 0.56 -0.04 -1.26 -3.47 135.00 124.99 1wlo n PRO 99 Ca 0.07 0.02 -0.15 0.00 -0.04 0.00 0.00 63.50 63.40 1wlo n PRO 99 Cb 0.56 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 2.78 0.43 0.55 0.00 -1.26 -4.86 105.19 103.36 1wlo n GLY 100 Ca 0.16 -1.42 0.11 0.00 0.00 0.00 0.00 46.02 44.87 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 0.17 0.13 -0.15 1.61 1.16 -1.23 -3.37 117.46 115.79 1wlo n PHE 101 Ca 0.19 -0.07 0.06 0.00 -1.87 0.00 0.00 57.45 55.76 1wlo n PHE 101 Cb 0.71 0.00 0.17 0.00 -1.61 0.00 0.00 39.48 38.75 1wlo n PHE 101 CO 0.00 0.00 0.00 2.48 -1.87 0.00 0.00 176.76 177.37 1wlo n TYR 102 N 0.06 0.50 0.06 2.97 0.18 -1.26 -4.45 117.16 115.21 1wlo n TYR 102 Ca 0.17 -0.46 -0.19 0.00 1.88 0.00 0.00 57.90 59.29 1wlo n TYR 102 Cb 0.28 -0.02 -0.14 0.00 -0.38 0.00 0.00 39.34 39.07 1wlo n TYR 102 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1wlo h ARG 103 N 2.37 0.29 -2.00 -3.48 3.08 -1.97 -3.16 114.38 109.51 1wlo h ARG 103 Ca 0.00 -0.49 -0.22 0.00 0.07 0.00 0.00 59.98 59.33 1wlo h ARG 103 Cb 0.75 0.18 -0.08 0.00 0.08 0.00 0.00 29.97 30.90 1wlo h ARG 103 CO 0.00 1.16 -0.30 0.41 -1.07 0.00 0.00 179.97 180.17 1wlo n GLY 104 N 1.76 3.15 0.00 0.04 0.00 -1.26 -4.56 105.19 104.32 1wlo n GLY 104 Ca -0.21 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 2.32 0.00 -2.64 1.61 4.01 -1.26 -4.95 117.16 116.25 1wlo n TYR 105 Ca 0.44 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 58.14 1wlo n TYR 105 Cb 0.88 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.97 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 0.57 0.16 2.72 0.00 -1.26 -4.91 105.19 102.47 1wlo n GLY 106 Ca 0.00 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.73 2.38 -0.28 0.99 4.77 -1.20 -4.27 117.00 118.66 1wlo n LEU 107 Ca -0.13 0.10 0.08 0.00 -0.03 0.00 0.00 56.01 56.03 1wlo n LEU 107 Cb 0.74 -0.81 0.23 0.00 -2.33 0.00 0.00 43.42 41.25 1wlo n LEU 107 CO -0.10 0.72 1.05 -0.08 -1.33 0.00 0.00 177.39 177.65 1wlo h GLU 108 N -0.49 0.48 0.00 3.23 4.81 -1.88 1.56 114.58 122.28 1wlo h GLU 108 Ca -0.60 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 1wlo h GLU 108 Cb 1.70 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.98 1wlo h GLU 108 CO -0.25 0.32 0.00 -0.85 -0.73 0.00 0.00 179.01 177.50 1wlo n GLU 109 N -4.97 0.32 -0.12 1.92 0.28 -1.26 0.59 120.64 117.41 1wlo n GLU 109 Ca 0.17 0.09 -0.18 0.00 -0.16 0.00 0.00 57.16 57.08 1wlo n GLU 109 Cb 0.48 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.75 1wlo n GLU 109 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1wlo n PHE 110 N -1.19 0.00 -0.73 -1.84 -0.00 0.50 -4.49 117.46 109.71 1wlo n PHE 110 Ca 0.09 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.62 1wlo n PHE 110 Cb 0.10 -0.88 0.32 0.00 -0.00 0.00 0.00 39.48 39.03 1wlo n PHE 110 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1wlo n PHE 111 N -3.40 1.36 -1.20 -5.13 3.72 0.51 -5.08 117.46 108.24 1wlo n PHE 111 Ca -0.42 -0.69 0.13 0.00 -0.05 0.00 0.00 57.45 56.42 1wlo n PHE 111 Cb 0.91 -0.29 -0.06 0.00 -0.94 0.00 0.00 39.48 39.09 1wlo n PHE 111 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1wlo n THR 112 N 0.53 -0.37 0.49 4.37 -2.24 0.20 -2.79 114.28 114.48 1wlo n THR 112 Ca 0.23 0.54 0.13 0.00 -2.27 0.00 0.00 64.05 62.68 1wlo n THR 112 Cb 0.90 -0.90 0.45 0.00 -2.10 0.00 0.00 70.33 68.69 1wlo n THR 112 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1wlo h PRO 113 N -1.32 0.00 0.00 -0.78 0.13 -1.97 -2.94 132.00 125.12 1wlo h PRO 113 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1wlo h PRO 113 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1wlo h PRO 113 CO 0.05 0.00 -0.06 1.25 -0.23 0.00 0.00 178.00 179.00 1wlo h LEU 114 N 0.00 0.00 -1.87 1.56 7.12 -1.93 -3.29 115.31 116.90 1wlo h LEU 114 Ca 0.00 0.00 0.49 0.00 0.13 0.00 0.00 57.88 58.50 1wlo h LEU 114 Cb 0.57 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.62 1wlo h LEU 114 CO 0.00 0.13 1.17 -0.09 -0.13 0.00 0.00 178.44 179.52 1wlo h ARG 115 N -0.20 0.02 -0.21 1.25 2.43 -1.64 1.49 114.38 117.52 1wlo h ARG 115 Ca 0.00 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1wlo h ARG 115 Cb 0.06 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1wlo h ARG 115 CO 0.00 0.01 0.11 -0.07 -1.51 0.00 0.00 179.97 178.51 1wlo h LEU 116 N 0.02 0.27 -0.78 3.80 3.38 -1.34 -2.26 115.31 118.41 1wlo h LEU 116 Ca 0.83 -0.11 0.16 0.00 0.09 0.00 0.00 57.88 58.85 1wlo h LEU 116 Cb 3.17 -0.07 -0.15 0.00 0.09 0.00 0.00 40.66 43.70 1wlo h LEU 116 CO -0.10 0.30 -0.17 0.54 0.09 0.00 0.00 178.44 179.11 1wlo n ARG 117 N -4.86 -0.07 0.09 1.13 1.74 0.51 0.21 116.66 115.40 1wlo n ARG 117 Ca -0.03 1.21 -0.11 0.00 -0.77 0.00 0.00 57.85 58.14 1wlo n ARG 117 Cb 0.09 -1.82 -0.07 0.00 -1.02 0.00 0.00 32.46 29.64 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 -0.30 -0.10 -0.13 0.00 -1.56 -2.61 103.07 98.37 1wlo h GLY 118 Ca 0.39 0.11 0.20 0.00 0.00 0.00 0.00 47.33 48.03 1wlo h GLY 118 CO -0.79 -0.11 0.41 1.41 0.00 0.00 0.00 176.54 177.46 1wlo h LEU 119 N -0.87 0.39 0.78 3.11 4.07 0.13 -1.10 115.31 121.82 1wlo h LEU 119 Ca -0.03 0.14 -0.03 0.00 0.08 0.00 0.00 57.88 58.04 1wlo h LEU 119 Cb 0.51 0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.35 1wlo h LEU 119 CO 0.05 0.05 -0.50 -0.33 -1.08 0.00 0.00 178.44 176.63 1wlo h GLU 120 N 0.46 -1.16 -1.51 1.13 5.08 0.24 -1.51 114.58 117.31 1wlo h GLU 120 Ca 0.54 0.08 0.48 0.00 -1.00 0.00 0.00 59.36 59.47 1wlo h GLU 120 Cb 0.98 0.26 -0.11 0.00 0.50 0.00 0.00 28.75 30.38 1wlo h GLU 120 CO -0.49 -0.77 1.02 0.00 -1.00 0.00 0.00 179.01 177.77 1wlo n ALA 121 N -2.75 1.47 0.18 3.43 0.00 -0.45 0.15 120.51 122.55 1wlo n ALA 121 Ca -0.15 0.75 -0.15 0.00 0.00 0.00 0.00 53.44 53.89 1wlo n ALA 121 Cb 0.50 -1.03 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 1wlo n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wlo h ALA 122 N 1.30 -0.76 0.82 0.00 0.00 -0.87 0.71 119.26 120.45 1wlo h ALA 122 Ca 0.85 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.62 1wlo h ALA 122 Cb 3.00 0.60 0.01 0.00 0.00 0.00 0.00 17.79 21.40 1wlo h ALA 122 CO -0.29 -0.98 -0.39 1.25 0.00 0.00 0.00 179.25 178.84 1wlo h LEU 123 N -0.71 -0.93 -0.93 0.00 5.85 0.14 0.11 115.31 118.84 1wlo h LEU 123 Ca -0.00 0.03 0.16 0.00 0.84 0.00 0.00 57.88 58.90 1wlo h LEU 123 Cb 0.68 0.24 -0.16 0.00 0.37 0.00 0.00 40.66 41.79 1wlo h LEU 123 CO -0.14 -0.66 -0.34 -0.07 -0.34 0.00 0.00 178.44 176.88 1wlo h LEU 124 N -1.10 -1.26 0.30 2.25 3.38 -1.26 0.93 115.31 118.56 1wlo h LEU 124 Ca -0.11 0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1wlo h LEU 124 Cb 0.84 0.69 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 1wlo h LEU 124 CO 0.18 -0.30 -0.28 0.03 0.09 0.00 0.00 178.44 178.17 1wlo h ARG 125 N -0.02 -0.56 -0.69 1.13 3.08 0.62 -0.76 114.38 117.18 1wlo h ARG 125 Ca 0.36 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.58 1wlo h ARG 125 Cb 0.62 0.13 -0.13 0.00 0.08 0.00 0.00 29.97 30.66 1wlo h ARG 125 CO -0.95 -0.37 -0.26 -0.07 -1.07 0.00 0.00 179.97 177.25 1wlo h LEU 126 N -0.58 -0.93 -1.97 3.04 3.38 0.89 1.59 115.31 120.73 1wlo h LEU 126 Ca -0.04 0.23 0.24 0.00 0.09 0.00 0.00 57.88 58.40 1wlo h LEU 126 Cb 0.49 0.53 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1wlo h LEU 126 CO -0.02 -0.27 0.61 1.56 0.09 0.00 0.00 178.44 180.40 1wlo h GLN 127 N -0.07 0.02 0.00 1.13 4.20 0.11 1.53 115.11 122.04 1wlo h GLN 127 Ca 0.30 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.92 1wlo h GLN 127 Cb 0.55 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1wlo h GLN 127 CO -0.74 0.02 -0.42 0.00 -0.67 0.00 0.00 178.83 177.02 1wlo h ALA 128 N 1.58 0.73 0.00 3.87 0.00 0.37 -2.96 119.26 122.85 1wlo h ALA 128 Ca 0.41 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wlo h ALA 128 Cb 1.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1wlo h ALA 128 CO -0.02 0.52 -0.48 1.96 0.00 0.00 0.00 179.25 181.23 1wlo h GLN 129 N 0.00 0.00 0.01 0.00 4.20 0.41 -3.34 115.11 116.39 1wlo h GLN 129 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1wlo h GLN 129 Cb 1.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.10 1wlo h GLN 129 CO 0.05 0.00 -0.01 0.28 -0.67 0.00 0.00 178.83 178.49 1wlo h VAL 130 N 0.00 1.51 -0.89 -0.54 2.07 -0.35 -3.27 116.25 114.79 1wlo h VAL 130 Ca 0.00 -1.96 0.34 0.00 0.82 0.00 0.00 66.70 65.90 1wlo h VAL 130 Cb 0.91 2.77 -0.13 0.00 -1.52 0.00 0.00 31.29 33.33 1wlo h VAL 130 CO 0.00 0.48 0.52 0.54 0.02 0.00 0.00 177.57 179.13 1wlo n ARG 131 N -4.69 -0.04 0.16 1.57 1.74 -1.13 0.24 116.66 114.51 1wlo n ARG 131 Ca -0.09 1.03 -0.14 0.00 -0.77 0.00 0.00 57.85 57.88 1wlo n ARG 131 Cb 0.39 -1.91 -0.08 0.00 -1.02 0.00 0.00 32.46 29.83 1wlo n ARG 131 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1wlo h LYS 132 N 0.00 -0.38 -0.85 5.56 6.56 -1.73 -2.98 116.57 122.74 1wlo h LYS 132 Ca 0.67 0.03 0.20 0.00 -1.06 0.00 0.00 60.65 60.49 1wlo h LYS 132 Cb 1.91 0.09 -0.15 0.00 -0.57 0.00 0.00 32.23 33.51 1wlo h LYS 132 CO -0.50 -0.09 -0.02 0.00 -2.06 0.00 0.00 179.45 176.77 1wlo h ALA 133 N -0.07 0.88 -0.89 3.86 0.00 0.30 1.72 119.26 125.06 1wlo h ALA 133 Ca -0.04 0.29 0.24 0.00 0.00 0.00 0.00 54.91 55.40 1wlo h ALA 133 Cb 0.47 0.52 -0.15 0.00 0.00 0.00 0.00 17.79 18.63 1wlo h ALA 133 CO 0.07 -0.46 0.19 -0.07 0.00 0.00 0.00 179.25 178.97 1wlo h LEU 134 N 0.06 -0.11 -4.32 0.00 4.07 -1.17 -0.53 115.31 113.31 1wlo h LEU 134 Ca 0.48 0.21 -0.49 0.00 0.08 0.00 0.00 57.88 58.16 1wlo h LEU 134 Cb 0.87 0.31 -0.42 0.00 1.08 0.00 0.00 40.66 42.50 1wlo h LEU 134 CO -0.79 -0.20 -0.88 1.07 -1.08 0.00 0.00 178.44 176.56 1wlo n THR 135 N -5.28 2.15 1.23 0.22 5.66 0.34 -5.14 114.28 113.46 1wlo n THR 135 Ca 0.21 -4.08 0.13 0.00 -3.05 0.00 0.00 64.05 57.26 1wlo n THR 135 Cb 0.69 -0.61 0.29 0.00 -1.55 0.00 0.00 70.33 69.16 1wlo n THR 135 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78