#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 -3.70 -1.52 2.03 0.31 -1.24 -4.97 118.33 109.23 1wlo n VAL 2 Ca 0.00 1.57 -0.29 0.00 -0.01 0.00 0.00 64.34 65.61 1wlo n VAL 2 Cb 0.00 -2.21 0.16 0.00 -0.91 0.00 0.00 33.84 30.88 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 -4.53 0.59 -0.07 5.55 0.04 -1.26 -4.87 135.00 130.45 1wlo s PRO 3 Ca 0.00 0.09 -0.17 0.00 0.04 0.00 0.00 61.00 60.96 1wlo s PRO 3 Cb 0.00 -1.79 -0.13 0.00 0.04 0.00 0.00 34.50 32.62 1wlo s PRO 3 CO 0.00 -2.53 0.65 -1.00 0.04 0.00 0.00 177.00 174.16 1wlo h PRO 4 N -1.73 -0.19 -0.88 0.56 0.13 -1.93 -1.32 132.00 126.62 1wlo h PRO 4 Ca -0.48 0.01 0.26 0.00 -0.87 0.00 0.00 66.00 64.92 1wlo h PRO 4 Cb 1.31 0.04 -0.16 0.00 0.13 0.00 0.00 31.00 32.32 1wlo h PRO 4 CO 0.52 0.18 0.08 1.63 -0.23 0.00 0.00 178.00 180.18 1wlo n LYS 5 N -4.89 -0.07 0.05 0.86 4.76 -1.26 0.18 118.16 117.79 1wlo n LYS 5 Ca -0.06 1.31 -0.02 0.00 -2.87 0.00 0.00 58.31 56.66 1wlo n LYS 5 Cb 0.23 -2.11 -0.01 0.00 -1.84 0.00 0.00 35.03 31.30 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 -0.13 -1.80 -0.35 5.85 -1.57 0.11 115.31 117.43 1wlo h LEU 6 Ca 0.56 0.00 0.53 0.00 0.84 0.00 0.00 57.88 59.82 1wlo h LEU 6 Cb 1.21 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 42.19 1wlo h LEU 6 CO -0.81 0.01 1.29 1.17 -0.34 0.00 0.00 178.44 179.75 1wlo n LYS 7 N -2.93 -0.00 -0.07 1.25 3.00 -0.18 0.15 118.16 119.38 1wlo n LYS 7 Ca -0.02 1.04 -0.11 0.00 -0.00 0.00 0.00 58.31 59.23 1wlo n LYS 7 Cb 0.06 -2.36 -0.09 0.00 0.00 0.00 0.00 35.03 32.63 1wlo n LYS 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1wlo h GLN 8 N 0.00 0.00 -0.96 1.64 1.08 0.19 -0.45 115.11 116.61 1wlo h GLN 8 Ca 0.88 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 58.23 1wlo h GLN 8 Cb 3.47 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 30.82 1wlo h GLN 8 CO -0.06 0.73 0.61 0.00 -0.95 0.00 0.00 178.83 179.15 1wlo h ALA 9 N -0.29 1.69 0.30 3.87 0.00 0.41 1.52 119.26 126.76 1wlo h ALA 9 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1wlo h ALA 9 Cb 0.75 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1wlo h ALA 9 CO -0.01 0.05 -0.14 -0.07 0.00 0.00 0.00 179.25 179.07 1wlo h LEU 10 N 0.83 -0.34 -0.58 0.00 3.38 0.06 -1.99 115.31 116.66 1wlo h LEU 10 Ca 0.49 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.59 1wlo h LEU 10 Cb 0.67 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.41 1wlo h LEU 10 CO -0.26 0.05 -0.02 -0.33 0.09 0.00 0.00 178.44 177.98 1wlo h GLU 11 N -1.00 0.10 -0.49 1.13 5.08 -0.68 0.11 114.58 118.84 1wlo h GLU 11 Ca -0.04 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1wlo h GLU 11 Cb 0.31 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 1wlo h GLU 11 CO 0.07 0.07 0.18 1.25 -1.00 0.00 0.00 179.01 179.57 1wlo h LEU 12 N 0.10 0.19 0.23 1.33 5.85 0.21 -0.56 115.31 122.66 1wlo h LEU 12 Ca 0.30 0.06 0.01 0.00 0.84 0.00 0.00 57.88 59.08 1wlo h LEU 12 Cb 0.47 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1wlo h LEU 12 CO -0.51 0.14 -0.48 0.15 -0.34 0.00 0.00 178.44 177.40 1wlo h PHE 13 N 0.36 -1.36 -0.05 1.25 3.57 -0.04 1.56 116.94 122.23 1wlo h PHE 13 Ca 0.23 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.77 1wlo h PHE 13 Cb 0.24 0.56 -0.00 0.00 2.79 0.00 0.00 35.95 39.54 1wlo h PHE 13 CO -0.16 -0.59 0.20 -0.22 -2.23 0.00 0.00 178.31 175.31 1wlo h LYS 14 N -0.79 0.00 0.00 1.11 3.64 -0.82 0.86 116.57 120.58 1wlo h LYS 14 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1wlo h LYS 14 Cb 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1wlo h LYS 14 CO -0.21 0.00 -1.21 0.45 -2.27 0.00 0.00 179.45 176.22 1wlo n SER 15 N -3.15 0.67 -4.80 4.20 2.88 0.70 -4.92 113.62 109.20 1wlo n SER 15 Ca -0.01 0.25 -0.32 0.00 -1.33 0.00 0.00 58.87 57.45 1wlo n SER 15 Cb 0.27 0.78 0.05 0.00 -0.75 0.00 0.00 64.21 64.56 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 -5.14 3.24 0.21 2.46 1.43 0.50 -5.00 118.68 116.39 1wlo s LEU 16 Ca -0.02 1.76 -0.30 0.00 -1.03 0.00 0.00 54.13 54.54 1wlo s LEU 16 Cb 0.11 -4.52 -0.08 0.00 0.03 0.00 0.00 46.19 41.73 1wlo s LEU 16 CO 0.81 -1.52 1.10 -2.16 0.23 0.00 0.00 176.35 174.81 1wlo s PRO 17 N -4.64 4.61 0.02 1.29 0.04 -1.26 -4.68 135.00 130.38 1wlo s PRO 17 Ca 0.61 1.75 -0.04 0.00 0.04 0.00 0.00 61.00 63.37 1wlo s PRO 17 Cb -0.16 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 1wlo s PRO 17 CO 0.49 0.12 0.80 1.17 0.04 0.00 0.00 177.00 179.61 1wlo n LYS 18 N 1.96 -0.06 -0.25 4.56 4.81 -1.26 0.17 118.16 128.10 1wlo n LYS 18 Ca 0.01 0.79 0.05 0.00 -0.87 0.00 0.00 58.31 58.30 1wlo n LYS 18 Cb 0.46 -1.18 0.11 0.00 0.02 0.00 0.00 35.03 34.43 1wlo n LYS 18 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1wlo n GLU 19 N -3.12 -0.06 -0.04 1.64 2.13 -1.26 0.20 120.64 120.13 1wlo n GLU 19 Ca 0.00 1.08 -0.14 0.00 0.66 0.00 0.00 57.16 58.77 1wlo n GLU 19 Cb 0.03 -1.63 -0.09 0.00 0.27 0.00 0.00 31.44 30.02 1wlo n GLU 19 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1wlo h LEU 20 N 0.00 0.25 -1.61 4.31 4.07 0.11 -2.39 115.31 120.04 1wlo h LEU 20 Ca 0.34 -0.59 0.49 0.00 0.08 0.00 0.00 57.88 58.20 1wlo h LEU 20 Cb 0.54 -0.07 -0.08 0.00 1.08 0.00 0.00 40.66 42.13 1wlo h LEU 20 CO -0.71 0.79 1.14 0.54 -1.08 0.00 0.00 178.44 179.12 1wlo n ARG 21 N -4.60 -0.01 -0.03 1.13 1.74 0.53 0.22 116.66 115.64 1wlo n ARG 21 Ca -0.08 1.00 -0.22 0.00 -0.77 0.00 0.00 57.85 57.78 1wlo n ARG 21 Cb 0.39 -2.21 -0.13 0.00 -1.02 0.00 0.00 32.46 29.50 1wlo n ARG 21 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wlo n SER 22 N -3.90 2.05 0.01 0.55 2.88 -0.53 -3.72 113.62 110.96 1wlo n SER 22 Ca 0.38 0.25 -0.12 0.00 -1.33 0.00 0.00 58.87 58.05 1wlo n SER 22 Cb 1.68 -0.87 -0.07 0.00 -0.75 0.00 0.00 64.21 64.20 1wlo n SER 22 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1wlo h GLN 23 N -0.21 0.04 -0.09 -1.46 1.08 0.31 -2.66 115.11 112.12 1wlo h GLN 23 Ca -0.42 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 56.80 1wlo h GLN 23 Cb 1.85 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 29.21 1wlo h GLN 23 CO -0.00 0.19 -0.51 0.28 -0.95 0.00 0.00 178.83 177.83 1wlo h VAL 24 N -0.11 0.00 -0.95 -0.54 2.07 0.19 0.15 116.25 117.06 1wlo h VAL 24 Ca 0.01 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.81 1wlo h VAL 24 Cb 0.16 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.76 1wlo h VAL 24 CO -0.00 0.00 0.19 -0.07 0.02 0.00 0.00 177.57 177.71 1wlo h LEU 25 N -0.57 -0.16 0.62 2.57 3.38 -1.63 0.27 115.31 119.79 1wlo h LEU 25 Ca 0.02 0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 1wlo h LEU 25 Cb 0.65 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1wlo h LEU 25 CO -0.39 -0.30 -0.44 -0.07 0.09 0.00 0.00 178.44 177.34 1wlo h LEU 26 N 0.08 -1.13 -0.50 1.67 -0.00 -0.43 -2.46 115.31 112.55 1wlo h LEU 26 Ca 0.62 0.07 0.05 0.00 -0.00 0.00 0.00 57.88 58.63 1wlo h LEU 26 Cb 1.36 0.34 -0.08 0.00 -0.00 0.00 0.00 40.66 42.29 1wlo h LEU 26 CO -0.80 -0.64 -0.48 -0.33 -0.00 0.00 0.00 178.44 176.19 1wlo h GLU 27 N -1.00 -0.23 -0.87 1.13 5.08 0.12 0.44 114.58 119.25 1wlo h GLU 27 Ca -0.08 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.45 1wlo h GLU 27 Cb 0.82 0.05 -0.15 0.00 0.50 0.00 0.00 28.75 29.97 1wlo h GLU 27 CO 0.05 -0.15 -0.27 0.66 -1.00 0.00 0.00 179.01 178.29 1wlo n TYR 28 N -4.94 0.18 -0.16 4.33 4.02 -0.10 0.20 117.16 120.69 1wlo n TYR 28 Ca -0.02 1.06 -0.04 0.00 -0.01 0.00 0.00 57.90 58.90 1wlo n TYR 28 Cb 0.27 -0.92 0.06 0.00 -0.02 0.00 0.00 39.34 38.73 1wlo n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wlo h ALA 29 N 1.48 0.60 0.00 -0.72 0.00 -0.46 0.56 119.26 120.72 1wlo h ALA 29 Ca 0.36 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1wlo h ALA 29 Cb 0.58 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1wlo h ALA 29 CO -0.88 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 178.17 1wlo h ALA 30 N 1.31 1.00 0.03 0.00 0.00 0.33 -1.54 119.26 120.39 1wlo h ALA 30 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.88 1wlo h ALA 30 Cb 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1wlo h ALA 30 CO -0.22 0.00 -1.38 0.87 0.00 0.00 0.00 179.25 178.52 1wlo h LYS 31 N 0.00 0.07 -6.00 0.00 6.56 0.52 -3.45 116.57 114.27 1wlo h LYS 31 Ca 0.00 -0.12 -0.60 0.00 -1.06 0.00 0.00 60.65 58.87 1wlo h LYS 31 Cb 0.31 0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.01 1wlo h LYS 31 CO 0.00 0.86 1.47 0.28 -2.06 0.00 0.00 179.45 180.00 1wlo n VAL 32 N -3.28 0.34 -1.55 0.50 0.31 0.49 -4.94 118.33 110.19 1wlo n VAL 32 Ca -0.10 -0.41 -0.30 0.00 -0.01 0.00 0.00 64.34 63.52 1wlo n VAL 32 Cb 1.00 -2.40 0.10 0.00 -0.91 0.00 0.00 33.84 31.63 1wlo n VAL 32 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1wlo s PRO 33 N 6.24 1.97 0.58 5.55 0.04 -1.26 -5.01 135.00 143.11 1wlo s PRO 33 Ca 1.02 0.59 -0.16 0.00 0.04 0.00 0.00 61.00 62.49 1wlo s PRO 33 Cb -0.43 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1wlo s PRO 33 CO 0.38 -1.69 1.05 -1.25 0.04 0.00 0.00 177.00 175.53 1wlo s PRO 34 N -5.17 3.43 0.34 0.56 0.04 -1.26 -4.67 135.00 128.26 1wlo s PRO 34 Ca 0.61 1.18 -0.26 0.00 0.04 0.00 0.00 61.00 62.57 1wlo s PRO 34 Cb -0.14 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 1wlo s PRO 34 CO 0.54 -0.72 1.07 -1.25 0.04 0.00 0.00 177.00 176.68 1wlo s PRO 35 N -4.03 4.38 0.69 0.56 0.04 -1.26 -4.98 135.00 130.40 1wlo s PRO 35 Ca 0.63 1.63 -0.11 0.00 0.04 0.00 0.00 61.00 63.19 1wlo s PRO 35 Cb -0.15 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.56 1wlo s PRO 35 CO 0.35 0.03 1.06 -1.25 0.04 0.00 0.00 177.00 177.23 1wlo s PRO 36 N -2.01 2.97 0.02 0.56 0.04 -1.26 -5.00 135.00 130.32 1wlo s PRO 36 Ca 0.52 0.97 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 1wlo s PRO 36 Cb -0.26 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 1wlo s PRO 36 CO 0.33 -1.07 1.18 -1.25 0.04 0.00 0.00 177.00 176.23 1wlo s PRO 37 N -4.97 4.42 0.00 0.56 0.04 -1.26 -3.02 135.00 130.77 1wlo s PRO 37 Ca 0.58 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.33 1wlo s PRO 37 Cb -0.14 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1wlo s PRO 37 CO 0.54 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.69 1wlo n GLY 38 N 3.23 1.85 3.68 0.56 0.00 -1.26 -5.05 105.19 108.20 1wlo n GLY 38 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.06 3.40 -0.38 1.61 1.01 -1.17 -4.96 120.40 117.84 1wlo s VAL 39 Ca 0.00 0.74 -0.18 0.00 0.00 0.00 0.00 61.98 62.54 1wlo s VAL 39 Cb 0.00 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.91 1wlo s VAL 39 CO 0.00 -0.02 0.49 -0.70 0.00 0.00 0.00 175.10 174.87 1wlo s GLU 40 N 2.94 3.40 -0.02 2.72 2.12 -1.26 -4.95 118.70 123.64 1wlo s GLU 40 Ca 0.70 -0.41 -0.09 0.00 0.36 0.00 0.00 54.97 55.54 1wlo s GLU 40 Cb -0.35 -3.88 -0.05 0.00 0.26 0.00 0.00 34.13 30.11 1wlo s GLU 40 CO 0.30 -0.75 0.27 -0.51 -0.54 0.00 0.00 175.26 174.03 1wlo s LEU 41 N 2.33 4.40 -0.02 2.70 1.02 -1.26 -4.81 118.68 123.04 1wlo s LEU 41 Ca 0.16 0.64 -0.04 0.00 0.02 0.00 0.00 54.13 54.90 1wlo s LEU 41 Cb -0.16 -2.51 -0.04 0.00 0.02 0.00 0.00 46.19 43.50 1wlo s LEU 41 CO 0.14 0.31 0.20 -0.70 0.02 0.00 0.00 176.35 176.32 1wlo s GLU 42 N -1.43 3.48 0.33 1.70 2.56 -1.09 -4.88 118.70 119.38 1wlo s GLU 42 Ca 0.24 -0.22 -0.25 0.00 0.00 0.00 0.00 54.97 54.74 1wlo s GLU 42 Cb -0.14 -3.11 -0.10 0.00 2.00 0.00 0.00 34.13 32.79 1wlo s GLU 42 CO 0.12 0.68 0.93 0.50 -0.56 0.00 0.00 175.26 176.94 1wlo s ARG 43 N -1.75 4.51 -0.68 4.30 3.52 -1.26 -2.82 118.95 124.77 1wlo s ARG 43 Ca 0.26 1.27 -0.11 0.00 -0.13 0.00 0.00 55.73 57.01 1wlo s ARG 43 Cb -0.13 -2.70 0.18 0.00 -1.56 0.00 0.00 34.95 30.74 1wlo s ARG 43 CO 0.16 0.24 0.59 0.08 -0.81 0.00 0.00 175.30 175.55 1wlo s VAL 44 N -1.70 4.94 0.39 7.11 1.01 -1.03 -4.89 120.40 126.23 1wlo s VAL 44 Ca 0.52 -2.29 0.07 0.00 0.00 0.00 0.00 61.98 60.27 1wlo s VAL 44 Cb -0.17 -4.13 0.21 0.00 0.00 0.00 0.00 36.38 32.30 1wlo s VAL 44 CO 0.22 -0.93 1.98 0.45 0.00 0.00 0.00 175.10 176.82 1wlo h HIS 45 N 7.93 0.46 -1.00 5.22 3.86 -1.91 -1.90 115.15 127.81 1wlo h HIS 45 Ca -0.04 -0.02 0.20 0.00 -1.16 0.00 0.00 60.37 59.35 1wlo h HIS 45 Cb 1.04 -0.15 -0.11 0.00 1.06 0.00 0.00 27.41 29.26 1wlo h HIS 45 CO 0.85 0.39 0.61 1.49 0.86 0.00 0.00 177.93 182.13 1wlo h GLU 46 N 0.47 0.70 -6.61 2.45 4.81 -1.93 -3.40 114.58 111.08 1wlo h GLU 46 Ca 0.11 -0.04 -0.51 0.00 -0.13 0.00 0.00 59.36 58.79 1wlo h GLU 46 Cb 0.13 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1wlo h GLU 46 CO -0.01 0.46 0.00 0.00 -0.73 0.00 0.00 179.01 178.74 1wlo n GLN 48 N -0.31 1.73 -4.10 0.00 10.64 -1.26 -4.87 117.38 119.20 1wlo n GLN 48 Ca 0.02 -1.73 -0.11 0.00 -1.83 0.00 0.00 57.00 53.36 1wlo n GLN 48 Cb 0.53 -1.68 -0.11 0.00 -0.86 0.00 0.00 30.24 28.12 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 -1.90 0.51 -1.21 -0.39 -4.23 -1.26 -5.04 115.64 102.12 1wlo s THR 49 Ca 0.33 -1.53 -0.08 0.00 -1.18 0.00 0.00 61.69 59.23 1wlo s THR 49 Cb 0.28 -1.16 -0.07 0.00 1.34 0.00 0.00 72.50 72.89 1wlo s THR 49 CO 0.06 -0.69 2.45 -0.81 -0.54 0.00 0.00 174.62 175.09 1wlo n PRO 50 N 0.65 2.73 -3.28 3.99 -0.04 -1.26 -4.72 135.00 133.07 1wlo n PRO 50 Ca -0.17 -1.81 -0.30 0.00 -0.04 0.00 0.00 63.50 61.18 1wlo n PRO 50 Cb 0.58 -2.64 -0.04 0.00 -0.04 0.00 0.00 33.50 31.37 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 2.98 3.46 -0.15 0.54 5.36 -1.26 -4.36 117.98 124.54 1wlo s PHE 51 Ca 0.52 0.78 -0.11 0.00 -0.96 0.00 0.00 56.93 57.16 1wlo s PHE 51 Cb 0.14 -2.21 0.05 0.00 -0.34 0.00 0.00 43.02 40.66 1wlo s PHE 51 CO -0.04 0.15 0.39 -0.06 -1.46 0.00 0.00 175.22 174.20 1wlo s PHE 52 N -2.06 -0.50 0.07 10.12 0.08 -1.15 -2.46 117.98 122.09 1wlo s PHE 52 Ca 0.46 1.14 0.02 0.00 0.12 0.00 0.00 56.93 58.68 1wlo s PHE 52 Cb -0.11 0.20 -0.03 0.00 -0.57 0.00 0.00 43.02 42.50 1wlo s PHE 52 CO 0.28 -0.27 -0.08 0.54 -0.10 0.00 0.00 175.22 175.59 1wlo s VAL 53 N 0.83 0.69 -0.18 -0.44 0.11 -1.13 -1.13 120.40 119.15 1wlo s VAL 53 Ca -0.05 -1.51 -0.08 0.00 -2.93 0.00 0.00 61.98 57.41 1wlo s VAL 53 Cb -0.06 -1.17 0.07 0.00 -1.53 0.00 0.00 36.38 33.70 1wlo s VAL 53 CO -0.06 -0.60 0.41 -2.28 -3.33 0.00 0.00 175.10 169.24 1wlo s HIS 54 N -2.42 -0.67 -0.03 1.54 5.04 0.16 -2.68 115.29 116.22 1wlo s HIS 54 Ca 0.01 1.37 0.05 0.00 -1.54 0.00 0.00 55.06 54.95 1wlo s HIS 54 Cb -0.03 0.27 -0.03 0.00 0.04 0.00 0.00 32.58 32.83 1wlo s HIS 54 CO -0.02 -0.40 -0.17 0.00 -2.34 0.00 0.00 174.74 171.82 1wlo s ALA 55 N 1.90 2.55 0.20 1.58 0.00 -1.26 -1.74 121.76 124.99 1wlo s ALA 55 Ca -0.06 -1.03 -0.10 0.00 0.00 0.00 0.00 51.96 50.77 1wlo s ALA 55 Cb -0.10 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 1wlo s ALA 55 CO -0.13 0.55 0.35 -0.51 0.00 0.00 0.00 175.76 176.02 1wlo s ASP 56 N -0.80 -0.01 -0.40 0.00 1.11 -0.92 -4.34 116.67 111.32 1wlo s ASP 56 Ca 0.12 -0.92 -0.02 0.00 0.18 0.00 0.00 52.55 51.90 1wlo s ASP 56 Cb -0.10 0.49 0.11 0.00 1.07 0.00 0.00 42.92 44.48 1wlo s ASP 56 CO 0.01 -0.98 0.18 -0.69 1.18 0.00 0.00 175.17 174.87 1wlo s VAL 57 N -4.00 3.16 -0.49 -1.27 1.01 -1.26 0.17 120.40 117.72 1wlo s VAL 57 Ca 0.21 -2.06 -0.14 0.00 0.00 0.00 0.00 61.98 59.99 1wlo s VAL 57 Cb 0.02 -3.17 0.10 0.00 0.00 0.00 0.00 36.38 33.33 1wlo s VAL 57 CO 0.04 -0.65 0.41 -1.61 0.00 0.00 0.00 175.10 173.29 1wlo s GLU 58 N 1.12 2.89 0.00 2.72 2.02 -0.95 -4.79 118.70 121.71 1wlo s GLU 58 Ca 0.08 -1.53 0.00 0.00 0.02 0.00 0.00 54.97 53.54 1wlo s GLU 58 Cb -0.22 -4.13 0.00 0.00 0.10 0.00 0.00 34.13 29.88 1wlo s GLU 58 CO -0.04 -1.14 0.00 0.41 0.02 0.00 0.00 175.26 174.51 1wlo n GLY 59 N 5.16 2.33 0.78 -1.39 0.00 -1.26 -3.11 105.19 107.70 1wlo n GLY 59 Ca -0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 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 0.73 3.42 -0.02 0.00 -1.26 -5.13 105.19 102.92 1wlo n GLY 60 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 1.79 -0.29 1.61 1.02 -1.18 -4.73 119.74 117.96 1wlo s LYS 61 Ca 0.00 -2.06 -0.06 0.00 0.02 0.00 0.00 55.97 53.87 1wlo s LYS 61 Cb 0.00 -0.28 0.02 0.00 -0.52 0.00 0.00 37.83 37.05 1wlo s LYS 61 CO -0.00 -0.50 0.06 0.08 -0.92 0.00 0.00 175.35 174.07 1wlo s VAL 62 N -3.37 3.73 -0.31 3.17 1.01 0.47 -2.23 120.40 122.87 1wlo s VAL 62 Ca 0.31 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 1wlo s VAL 62 Cb 0.03 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.47 1wlo s VAL 62 CO 0.18 0.06 0.81 -0.13 0.00 0.00 0.00 175.10 176.03 1wlo s ARG 63 N 1.45 3.98 -0.04 2.72 1.81 0.13 -2.98 118.95 126.01 1wlo s ARG 63 Ca 0.01 0.64 -0.09 0.00 -1.72 0.00 0.00 55.73 54.57 1wlo s ARG 63 Cb -0.17 -3.73 -0.05 0.00 -0.45 0.00 0.00 34.95 30.55 1wlo s ARG 63 CO 0.01 -0.69 0.26 -0.51 -0.68 0.00 0.00 175.30 173.69 1wlo s LEU 64 N 3.01 4.41 -0.13 2.53 1.43 -1.26 -2.16 118.68 126.51 1wlo s LEU 64 Ca 0.33 0.65 -0.05 0.00 -1.03 0.00 0.00 54.13 54.03 1wlo s LEU 64 Cb -0.14 -2.41 0.06 0.00 0.03 0.00 0.00 46.19 43.73 1wlo s LEU 64 CO 0.13 0.33 0.27 -0.31 0.23 0.00 0.00 176.35 177.00 1wlo s TYR 65 N -1.13 -0.43 0.29 0.29 2.02 -0.71 -4.99 117.35 112.69 1wlo s TYR 65 Ca 0.22 0.98 0.11 0.00 -0.37 0.00 0.00 57.07 58.01 1wlo s TYR 65 Cb -0.14 -0.03 -0.05 0.00 -0.40 0.00 0.00 41.96 41.34 1wlo s TYR 65 CO 0.11 -0.36 -0.17 -0.06 -1.57 0.00 0.00 175.55 173.50 1wlo s PHE 66 N 2.41 2.33 -0.15 2.71 0.08 -1.26 -0.67 117.98 123.42 1wlo s PHE 66 Ca 0.01 -0.37 -0.04 0.00 0.12 0.00 0.00 56.93 56.65 1wlo s PHE 66 Cb -0.12 -1.09 0.08 0.00 -0.57 0.00 0.00 43.02 41.32 1wlo s PHE 66 CO -0.09 0.68 0.24 -1.58 -0.10 0.00 0.00 175.22 174.38 1wlo s HIS 67 N -2.53 -0.36 -0.33 0.36 2.46 -0.29 -4.18 115.29 110.43 1wlo s HIS 67 Ca 0.31 0.65 0.02 0.00 0.47 0.00 0.00 55.06 56.51 1wlo s HIS 67 Cb -0.03 -0.18 0.10 0.00 -0.13 0.00 0.00 32.58 32.34 1wlo s HIS 67 CO 0.16 -0.45 0.07 0.08 -2.47 0.00 0.00 174.74 172.12 1wlo s VAL 68 N 2.38 1.76 -0.07 0.89 1.01 -1.26 -2.93 120.40 122.18 1wlo s VAL 68 Ca 0.04 -2.01 -0.17 0.00 0.00 0.00 0.00 61.98 59.85 1wlo s VAL 68 Cb -0.13 -2.31 -0.13 0.00 0.00 0.00 0.00 36.38 33.81 1wlo s VAL 68 CO -0.10 -0.63 0.65 1.55 0.00 0.00 0.00 175.10 176.57 1wlo h PRO 69 N 7.78 -0.19 0.00 2.72 0.13 -1.97 -3.13 132.00 137.33 1wlo h PRO 69 Ca -0.08 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1wlo h PRO 69 Cb 1.02 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1wlo h PRO 69 CO 0.50 0.18 0.11 -3.47 -0.23 0.00 0.00 178.00 175.10 1wlo n ASP 70 N -4.89 0.41 -0.45 1.44 -0.08 -1.26 -4.75 116.55 106.97 1wlo n ASP 70 Ca -0.06 0.65 -0.06 0.00 -1.51 0.00 0.00 54.79 53.81 1wlo n ASP 70 Cb 0.23 -0.67 -0.03 0.00 2.34 0.00 0.00 41.12 43.00 1wlo n ASP 70 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1wlo n GLU 71 N -2.07 -0.53 -1.70 -0.67 1.02 -1.18 -4.92 120.64 110.58 1wlo n GLU 71 Ca -0.01 0.65 -0.55 0.00 -0.02 0.00 0.00 57.16 57.23 1wlo n GLU 71 Cb 0.13 -4.40 -0.06 0.00 -0.02 0.00 0.00 31.44 27.09 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 1.11 0.17 -0.03 0.62 0.00 -1.26 -4.86 120.51 116.25 1wlo n ALA 72 Ca -0.06 0.35 -0.13 0.00 0.00 0.00 0.00 53.44 53.60 1wlo n ALA 72 Cb 0.22 -2.32 -0.11 0.00 0.00 0.00 0.00 19.45 17.25 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 7.89 -0.02 -1.58 0.00 0.13 -1.97 -0.57 132.00 135.88 1wlo h PRO 73 Ca -0.47 0.00 0.46 0.00 -0.87 0.00 0.00 66.00 65.12 1wlo h PRO 73 Cb 1.30 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.37 1wlo h PRO 73 CO 0.96 0.68 1.13 1.79 -0.23 0.00 0.00 178.00 182.33 1wlo h THR 74 N -0.77 0.20 0.02 1.56 1.35 -2.00 1.71 112.91 114.98 1wlo h THR 74 Ca -0.00 -0.01 -0.33 0.00 -0.55 0.00 0.00 66.41 65.52 1wlo h THR 74 Cb 0.72 0.18 -0.05 0.00 -1.73 0.00 0.00 68.15 67.27 1wlo h THR 74 CO 0.00 0.00 -1.99 0.52 -0.25 0.00 0.00 175.52 173.81 1wlo n VAL 75 N -4.11 1.56 0.42 6.82 0.31 -1.21 -4.05 118.33 118.08 1wlo n VAL 75 Ca 0.35 -0.78 -0.17 0.00 -0.01 0.00 0.00 64.34 63.74 1wlo n VAL 75 Cb 1.63 -1.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.48 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 0.01 -1.05 -0.62 5.55 1.63 0.39 -1.65 116.57 120.83 1wlo h LYS 76 Ca -0.40 0.07 0.06 0.00 -0.85 0.00 0.00 60.65 59.53 1wlo h LYS 76 Cb 2.07 0.24 -0.07 0.00 -0.60 0.00 0.00 32.23 33.87 1wlo h LYS 76 CO 0.06 -0.70 -0.37 0.00 -3.45 0.00 0.00 179.45 174.99 1wlo n ALA 77 N -2.66 -0.40 -0.14 5.00 0.00 0.17 0.04 120.51 122.54 1wlo n ALA 77 Ca -0.14 0.53 -0.13 0.00 0.00 0.00 0.00 53.44 53.70 1wlo n ALA 77 Cb 0.43 0.07 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.61 -0.99 0.00 3.57 -1.69 0.53 116.94 116.74 1wlo h PHE 78 Ca 0.10 0.08 0.28 0.00 3.53 0.00 0.00 57.97 61.96 1wlo h PHE 78 Cb 0.25 0.76 -0.14 0.00 2.79 0.00 0.00 35.95 39.61 1wlo h PHE 78 CO -0.94 -0.48 0.56 0.00 -2.23 0.00 0.00 178.31 175.22 1wlo h ALA 79 N 0.07 1.83 0.00 2.41 0.00 0.15 1.87 119.26 125.59 1wlo h ALA 79 Ca 0.09 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1wlo h ALA 79 Cb 0.60 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1wlo h ALA 79 CO -0.60 -0.41 -0.37 0.78 0.00 0.00 0.00 179.25 178.65 1wlo h GLY 80 N 0.45 0.00 0.51 0.00 0.00 0.36 -2.28 103.07 102.12 1wlo h GLY 80 Ca 0.68 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.93 1wlo h GLY 80 CO -0.54 0.00 -0.32 -2.00 0.00 0.00 0.00 176.54 173.68 1wlo h LEU 81 N 0.00 0.28 -1.38 3.11 5.85 0.72 -1.33 115.31 122.55 1wlo h LEU 81 Ca -0.00 -0.78 0.02 0.00 0.84 0.00 0.00 57.88 57.96 1wlo h LEU 81 Cb 0.93 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 1wlo h LEU 81 CO 0.05 1.02 0.43 -0.07 -0.34 0.00 0.00 178.44 179.53 1wlo h LEU 82 N -0.43 0.71 0.00 2.25 3.38 -0.20 0.24 115.31 121.26 1wlo h LEU 82 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1wlo h LEU 82 Cb 1.07 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1wlo h LEU 82 CO 0.06 0.50 -0.07 -1.14 0.09 0.00 0.00 178.44 177.89 1wlo n ARG 83 N -4.45 0.06 0.00 1.13 0.63 -0.86 0.10 116.66 113.27 1wlo n ARG 83 Ca 0.07 0.04 0.12 0.00 -0.92 0.00 0.00 57.85 57.17 1wlo n ARG 83 Cb 0.08 -1.56 0.23 0.00 0.45 0.00 0.00 32.46 31.66 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 -1.67 1.45 0.00 -0.14 -0.58 0.74 -3.44 120.64 117.00 1wlo n GLU 84 Ca 0.06 -1.06 0.00 0.00 -0.42 0.00 0.00 57.16 55.74 1wlo n GLU 84 Cb 0.36 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 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 1.33 0.00 0.04 0.62 0.00 -0.56 -4.31 105.19 102.31 1wlo n GLY 85 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.50 0.88 0.00 0.99 7.99 0.29 -2.65 117.00 122.99 1wlo n LEU 86 Ca 0.00 0.31 0.00 0.00 -0.01 0.00 0.00 56.01 56.31 1wlo n LEU 86 Cb 0.23 -0.65 0.00 0.00 -0.11 0.00 0.00 43.42 42.90 1wlo n LEU 86 CO 0.00 -0.45 0.00 1.21 -1.51 0.00 0.00 177.39 176.64 1wlo n GLU 87 N -3.39 0.00 -0.63 3.23 0.00 -1.16 0.22 120.64 118.91 1wlo n GLU 87 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.11 1wlo n GLU 87 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.62 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 0.00 0.65 3.99 8.31 0.00 -1.16 -4.91 105.19 112.07 1wlo n GLY 88 Ca 0.00 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.75 3.10 0.67 1.61 0.41 0.59 -4.66 118.70 119.66 1wlo s GLU 89 Ca 0.00 -0.94 -0.11 0.00 -0.41 0.00 0.00 54.97 53.51 1wlo s GLU 89 Cb 0.00 -2.78 -0.01 0.00 -1.78 0.00 0.00 34.13 29.56 1wlo s GLU 89 CO 0.00 -0.00 1.06 -1.54 -0.49 0.00 0.00 175.26 174.28 1wlo s SER 90 N -4.19 5.76 0.00 -0.19 1.04 -1.26 0.18 113.70 115.05 1wlo s SER 90 Ca 0.46 1.39 0.22 0.00 0.48 0.00 0.00 55.95 58.50 1wlo s SER 90 Cb -0.10 -2.33 1.05 0.00 0.10 0.00 0.00 66.02 64.75 1wlo s SER 90 CO 0.32 -1.17 1.72 -0.81 0.98 0.00 0.00 173.24 174.29 1wlo n PRO 91 N -2.93 0.18 -0.06 4.02 -0.04 -1.26 -2.04 135.00 132.87 1wlo n PRO 91 Ca 0.07 0.09 -0.15 0.00 -0.04 0.00 0.00 63.50 63.47 1wlo n PRO 91 Cb 0.55 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.38 0.69 0.10 0.54 -0.58 -1.26 -3.35 120.64 115.40 1wlo n GLU 92 Ca 0.08 0.19 -0.05 0.00 -0.42 0.00 0.00 57.16 56.97 1wlo n GLU 92 Cb 0.21 -1.65 0.05 0.00 -0.57 0.00 0.00 31.44 29.49 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 0.50 0.71 -0.25 0.62 0.00 -1.91 -1.99 119.26 116.94 1wlo h ALA 93 Ca -0.45 -0.69 -0.15 0.00 0.00 0.00 0.00 54.91 53.62 1wlo h ALA 93 Cb 2.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1wlo h ALA 93 CO 0.03 0.93 -0.45 0.28 0.00 0.00 0.00 179.25 180.04 1wlo h VAL 94 N 0.03 1.30 -0.16 0.00 2.07 -1.57 -2.94 116.25 114.99 1wlo h VAL 94 Ca -0.01 -1.65 -0.08 0.00 0.82 0.00 0.00 66.70 65.78 1wlo h VAL 94 Cb 1.36 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1wlo h VAL 94 CO 0.11 0.53 -0.25 -0.07 0.02 0.00 0.00 177.57 177.90 1wlo h LEU 95 N 0.49 0.28 0.00 2.57 -0.00 -1.55 -1.10 115.31 116.00 1wlo h LEU 95 Ca 0.02 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1wlo h LEU 95 Cb 1.05 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.63 1wlo h LEU 95 CO 0.10 0.54 0.00 -0.62 -0.00 0.00 0.00 178.44 178.46 1wlo n GLU 96 N -4.15 0.06 -2.98 1.13 -0.58 -0.75 -4.57 120.64 108.79 1wlo n GLU 96 Ca -0.01 0.27 -0.41 0.00 -0.42 0.00 0.00 57.16 56.59 1wlo n GLU 96 Cb 0.37 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.69 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 -2.83 4.90 0.98 2.62 1.01 -0.42 -3.72 120.40 122.94 1wlo s VAL 97 Ca 0.07 1.39 -0.14 0.00 0.00 0.00 0.00 61.98 63.30 1wlo s VAL 97 Cb 0.07 -4.04 0.18 0.00 0.00 0.00 0.00 36.38 32.59 1wlo s VAL 97 CO 0.18 -0.03 1.17 -2.16 0.00 0.00 0.00 175.10 174.26 1wlo s PRO 98 N 2.66 0.60 0.00 2.72 0.04 -1.26 -4.92 135.00 134.83 1wlo s PRO 98 Ca 0.31 0.09 0.23 0.00 0.04 0.00 0.00 61.00 61.67 1wlo s PRO 98 Cb -0.15 -1.79 1.38 0.00 0.04 0.00 0.00 34.50 33.97 1wlo s PRO 98 CO 0.08 -2.53 1.76 -0.35 0.04 0.00 0.00 177.00 176.01 1wlo n PRO 99 N -3.95 0.75 -2.68 0.56 -0.04 -1.26 -3.20 135.00 125.17 1wlo n PRO 99 Ca 0.09 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.48 1wlo n PRO 99 Cb 0.59 -1.48 0.03 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.49 1.54 0.17 0.55 0.00 -1.26 -4.69 105.19 102.00 1wlo n GLY 100 Ca 0.17 -1.24 0.02 0.00 0.00 0.00 0.00 46.02 44.98 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 2.93 0.00 0.00 1.61 -5.15 -1.92 -2.69 116.94 111.72 1wlo h PHE 101 Ca -0.11 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 57.56 1wlo h PHE 101 Cb 1.19 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.35 1wlo h PHE 101 CO 0.49 0.44 -0.50 0.10 -2.00 0.00 0.00 178.31 176.84 1wlo h TYR 102 N 0.00 0.00 -0.98 6.09 -0.00 -1.90 -3.46 116.97 116.73 1wlo h TYR 102 Ca -0.00 0.00 -0.82 0.00 0.00 0.00 0.00 58.73 57.90 1wlo h TYR 102 Cb 0.83 0.00 0.03 0.00 0.00 0.00 0.00 36.73 37.59 1wlo h TYR 102 CO 0.00 0.50 0.42 0.54 -0.00 0.00 0.00 178.16 179.62 1wlo n ARG 103 N -3.31 0.00 -1.82 0.10 1.74 -1.02 -3.23 116.66 109.12 1wlo n ARG 103 Ca 0.01 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.08 1wlo n ARG 103 Cb 0.69 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 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 2.89 -0.75 0.80 -0.13 0.00 -1.26 -4.99 105.19 101.74 1wlo n GLY 104 Ca 0.26 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.64 -1.26 0.00 1.61 4.01 -1.20 -5.04 117.16 114.65 1wlo n TYR 105 Ca 0.02 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 1wlo n TYR 105 Cb 0.21 0.39 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 -1.20 1.55 0.31 2.72 0.00 -1.26 -4.25 105.19 103.06 1wlo n GLY 106 Ca 0.00 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.42 -0.64 0.99 -0.00 -1.96 0.58 115.31 113.86 1wlo h LEU 107 Ca 0.00 0.23 0.12 0.00 -0.00 0.00 0.00 57.88 58.24 1wlo h LEU 107 Cb 0.00 0.41 -0.12 0.00 -0.00 0.00 0.00 40.66 40.95 1wlo h LEU 107 CO 0.00 -0.25 -0.23 -0.08 -0.00 0.00 0.00 178.44 177.89 1wlo h GLU 108 N 0.07 -0.06 0.42 1.13 4.22 -1.83 0.49 114.58 119.03 1wlo h GLU 108 Ca 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.91 1wlo h GLU 108 Cb 0.92 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1wlo h GLU 108 CO -0.78 -0.04 -0.20 0.93 -2.18 0.00 0.00 179.01 176.73 1wlo h GLU 109 N -0.06 -0.55 -0.40 1.92 4.39 -0.49 -3.35 114.58 116.04 1wlo h GLU 109 Ca 0.29 0.04 0.04 0.00 0.34 0.00 0.00 59.36 60.07 1wlo h GLU 109 Cb 0.52 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.24 1wlo h GLU 109 CO -0.69 -0.33 -0.28 0.74 -1.16 0.00 0.00 179.01 177.30 1wlo h PHE 110 N -1.12 -0.88 -3.80 4.33 -1.00 0.09 -3.39 116.94 111.17 1wlo h PHE 110 Ca -0.06 0.06 -0.49 0.00 2.81 0.00 0.00 57.97 60.29 1wlo h PHE 110 Cb 0.47 0.44 -0.01 0.00 3.61 0.00 0.00 35.95 40.46 1wlo h PHE 110 CO 0.01 -0.19 0.38 -0.06 -1.61 0.00 0.00 178.31 176.84 1wlo s PHE 111 N -4.20 3.81 0.90 -0.55 0.08 0.17 -5.03 117.98 113.17 1wlo s PHE 111 Ca -0.06 1.83 -0.10 0.00 0.12 0.00 0.00 56.93 58.72 1wlo s PHE 111 Cb 0.05 -3.04 0.14 0.00 -0.57 0.00 0.00 43.02 39.59 1wlo s PHE 111 CO 0.29 0.14 1.13 0.95 -0.10 0.00 0.00 175.22 177.64 1wlo s THR 112 N -1.28 2.25 -1.43 0.64 -4.23 -1.26 -4.64 115.64 105.68 1wlo s THR 112 Ca 0.44 0.08 0.23 0.00 -1.18 0.00 0.00 61.69 61.26 1wlo s THR 112 Cb -0.26 -2.17 0.40 0.00 1.34 0.00 0.00 72.50 71.80 1wlo s THR 112 CO 0.32 -0.10 1.74 -0.81 -0.54 0.00 0.00 174.62 175.23 1wlo n PRO 113 N -4.16 0.32 -0.09 3.99 -0.04 -1.26 -1.65 135.00 132.11 1wlo n PRO 113 Ca 0.11 0.07 -0.13 0.00 -0.04 0.00 0.00 63.50 63.51 1wlo n PRO 113 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 1wlo n PRO 113 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1wlo n LEU 114 N -1.29 1.84 -0.15 1.53 -0.00 -1.26 -3.89 117.00 113.78 1wlo n LEU 114 Ca 0.11 0.52 -0.02 0.00 -0.00 0.00 0.00 56.01 56.62 1wlo n LEU 114 Cb 0.18 -0.90 0.20 0.00 -0.00 0.00 0.00 43.42 42.90 1wlo n LEU 114 CO 0.17 -0.11 1.04 -0.09 -0.00 0.00 0.00 177.39 178.40 1wlo h ARG 115 N -1.00 0.88 -0.59 1.96 2.43 -1.93 -2.47 114.38 113.66 1wlo h ARG 115 Ca -0.18 -0.15 0.11 0.00 -0.81 0.00 0.00 59.98 58.96 1wlo h ARG 115 Cb 0.91 -0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 30.22 1wlo h ARG 115 CO -0.11 0.73 0.11 -0.07 -1.51 0.00 0.00 179.97 179.13 1wlo h LEU 116 N 0.86 -0.02 -0.92 3.80 3.38 -1.50 0.13 115.31 121.04 1wlo h LEU 116 Ca 0.20 0.11 0.25 0.00 0.09 0.00 0.00 57.88 58.54 1wlo h LEU 116 Cb 0.20 0.16 -0.14 0.00 0.09 0.00 0.00 40.66 40.97 1wlo h LEU 116 CO -0.02 0.00 0.38 0.03 0.09 0.00 0.00 178.44 178.92 1wlo h ARG 117 N 0.24 0.29 0.20 1.13 3.08 -1.55 0.14 114.38 117.92 1wlo h ARG 117 Ca 0.31 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 1wlo h ARG 117 Cb 0.46 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1wlo h ARG 117 CO -0.40 0.20 -0.10 0.78 -1.07 0.00 0.00 179.97 179.38 1wlo h GLY 118 N 0.30 -0.28 -0.57 0.04 0.00 -0.87 -2.93 103.07 98.76 1wlo h GLY 118 Ca 0.60 0.10 0.32 0.00 0.00 0.00 0.00 47.33 48.36 1wlo h GLY 118 CO -0.60 -0.10 0.51 1.41 0.00 0.00 0.00 176.54 177.75 1wlo h LEU 119 N -0.84 0.40 -0.58 3.11 4.07 0.24 1.15 115.31 122.85 1wlo h LEU 119 Ca -0.03 0.20 -0.01 0.00 0.08 0.00 0.00 57.88 58.12 1wlo h LEU 119 Cb 0.52 0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.41 1wlo h LEU 119 CO 0.04 -0.17 0.31 -0.33 -1.08 0.00 0.00 178.44 177.21 1wlo h GLU 120 N 0.27 0.82 -0.40 1.13 5.08 -0.77 -2.61 114.58 118.11 1wlo h GLU 120 Ca 0.72 -0.10 0.07 0.00 -1.00 0.00 0.00 59.36 59.04 1wlo h GLU 120 Cb 1.64 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.67 1wlo h GLU 120 CO -0.64 0.64 0.04 0.00 -1.00 0.00 0.00 179.01 178.05 1wlo h ALA 121 N 1.14 0.40 -0.93 3.43 0.00 0.15 -1.13 119.26 122.31 1wlo h ALA 121 Ca 0.20 0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.39 1wlo h ALA 121 Cb 0.07 0.15 -0.17 0.00 0.00 0.00 0.00 17.79 17.84 1wlo h ALA 121 CO -0.03 -0.36 -0.26 0.00 0.00 0.00 0.00 179.25 178.60 1wlo n ALA 122 N -2.50 0.16 0.25 0.00 0.00 -0.69 0.11 120.51 117.85 1wlo n ALA 122 Ca 0.03 1.01 -0.10 0.00 0.00 0.00 0.00 53.44 54.37 1wlo n ALA 122 Cb 0.20 -0.58 -0.05 0.00 0.00 0.00 0.00 19.45 19.02 1wlo n ALA 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wlo h LEU 123 N 0.00 -0.56 -1.89 0.00 7.12 -1.27 -0.87 115.31 117.84 1wlo h LEU 123 Ca 0.42 0.02 0.53 0.00 0.13 0.00 0.00 57.88 58.98 1wlo h LEU 123 Cb 0.66 0.15 -0.07 0.00 -0.53 0.00 0.00 40.66 40.86 1wlo h LEU 123 CO -0.95 -0.31 1.37 -0.07 -0.13 0.00 0.00 178.44 178.35 1wlo h LEU 124 N -0.86 0.00 0.22 2.25 3.38 0.09 0.52 115.31 120.92 1wlo h LEU 124 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1wlo h LEU 124 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1wlo h LEU 124 CO 0.11 0.00 -0.11 0.03 0.09 0.00 0.00 178.44 178.56 1wlo h ARG 125 N 0.00 -0.29 -0.52 1.13 2.47 0.12 -3.17 114.38 114.12 1wlo h ARG 125 Ca 0.87 0.02 0.09 0.00 -1.26 0.00 0.00 59.98 59.70 1wlo h ARG 125 Cb 3.59 0.07 -0.10 0.00 -1.65 0.00 0.00 29.97 31.87 1wlo h ARG 125 CO -0.01 -0.19 -0.37 -0.07 0.56 0.00 0.00 179.97 179.89 1wlo h LEU 126 N -1.05 -1.26 -1.73 3.04 3.38 0.14 0.95 115.31 118.78 1wlo h LEU 126 Ca -0.03 0.22 0.39 0.00 0.09 0.00 0.00 57.88 58.55 1wlo h LEU 126 Cb 0.23 0.59 -0.08 0.00 0.09 0.00 0.00 40.66 41.49 1wlo h LEU 126 CO 0.05 -0.32 0.92 1.56 0.09 0.00 0.00 178.44 180.73 1wlo h GLN 127 N -0.22 0.10 -0.08 1.13 4.20 -1.05 1.31 115.11 120.51 1wlo h GLN 127 Ca 0.19 -0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.73 1wlo h GLN 127 Cb 0.56 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.33 1wlo h GLN 127 CO -0.64 0.07 -0.63 0.00 -0.67 0.00 0.00 178.83 176.96 1wlo h ALA 128 N 1.42 0.18 0.45 3.87 0.00 0.91 -2.11 119.26 123.98 1wlo h ALA 128 Ca 0.69 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1wlo h ALA 128 Cb 2.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.25 1wlo h ALA 128 CO -0.16 0.46 -0.22 1.96 0.00 0.00 0.00 179.25 181.29 1wlo h GLN 129 N 0.17 -0.59 0.00 0.00 4.20 0.28 -2.96 115.11 116.22 1wlo h GLN 129 Ca -0.06 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.71 1wlo h GLN 129 Cb 1.29 0.13 -0.05 0.00 0.30 0.00 0.00 27.48 29.15 1wlo h GLN 129 CO 0.13 -0.28 -0.46 0.28 -0.67 0.00 0.00 178.83 177.82 1wlo h VAL 130 N -0.89 0.00 -1.89 -0.54 2.07 -0.03 0.30 116.25 115.27 1wlo h VAL 130 Ca -0.06 0.00 0.56 0.00 0.82 0.00 0.00 66.70 68.01 1wlo h VAL 130 Cb 0.57 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.26 1wlo h VAL 130 CO 0.10 0.00 1.35 0.54 0.02 0.00 0.00 177.57 179.58 1wlo n ARG 131 N -5.02 -0.00 0.09 1.57 1.74 -0.79 0.19 116.66 114.43 1wlo n ARG 131 Ca -0.06 1.07 -0.13 0.00 -0.77 0.00 0.00 57.85 57.96 1wlo n ARG 131 Cb 0.34 -2.45 -0.08 0.00 -1.02 0.00 0.00 32.46 29.25 1wlo n ARG 131 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1wlo h LYS 132 N 0.00 -0.24 -0.94 5.56 2.10 -0.23 -3.02 116.57 119.79 1wlo h LYS 132 Ca 0.92 0.02 0.24 0.00 -2.00 0.00 0.00 60.65 59.83 1wlo h LYS 132 Cb 3.63 0.06 -0.13 0.00 -0.90 0.00 0.00 32.23 34.89 1wlo h LYS 132 CO -0.05 0.12 0.47 0.00 -2.00 0.00 0.00 179.45 177.99 1wlo h ALA 133 N 0.02 1.61 -0.87 0.07 0.00 0.25 0.90 119.26 121.25 1wlo h ALA 133 Ca -0.03 0.16 0.22 0.00 0.00 0.00 0.00 54.91 55.27 1wlo h ALA 133 Cb 0.48 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.25 1wlo h ALA 133 CO 0.04 -0.36 0.27 -0.07 0.00 0.00 0.00 179.25 179.13 1wlo h LEU 134 N 0.43 0.08 -3.22 0.00 3.38 -1.27 0.29 115.31 115.00 1wlo h LEU 134 Ca 0.61 0.18 -0.09 0.00 0.09 0.00 0.00 57.88 58.67 1wlo h LEU 134 Cb 1.20 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 42.12 1wlo h LEU 134 CO -0.53 -0.11 -0.14 1.07 0.09 0.00 0.00 178.44 178.82 1wlo n THR 135 N -5.18 2.36 0.00 0.22 5.66 0.21 -5.14 114.28 112.41 1wlo n THR 135 Ca 0.21 -2.64 0.00 0.00 -3.05 0.00 0.00 64.05 58.57 1wlo n THR 135 Cb 0.66 -0.28 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 1wlo n THR 135 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78