#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 1.96 -1.53 1.12 0.31 -1.26 -4.79 118.33 114.14 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 -0.65 0.17 0.00 -0.91 0.00 0.00 33.84 32.46 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 -1.42 0.43 -0.07 5.55 0.04 -1.26 -4.84 135.00 133.43 1wlo s PRO 3 Ca 0.61 0.02 -0.19 0.00 0.04 0.00 0.00 61.00 61.48 1wlo s PRO 3 Cb -0.74 -1.78 -0.14 0.00 0.04 0.00 0.00 34.50 31.87 1wlo s PRO 3 CO 0.59 -2.62 0.71 -1.00 0.04 0.00 0.00 177.00 174.71 1wlo h PRO 4 N -1.80 -0.16 -1.19 0.56 0.13 -1.93 0.21 132.00 127.81 1wlo h PRO 4 Ca -0.47 0.01 0.41 0.00 -0.87 0.00 0.00 66.00 65.08 1wlo h PRO 4 Cb 1.30 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.32 1wlo h PRO 4 CO 0.49 0.27 0.73 0.87 -0.23 0.00 0.00 178.00 180.13 1wlo h LYS 5 N -0.92 0.10 0.00 0.86 1.79 -1.94 1.32 116.57 117.79 1wlo h LYS 5 Ca -0.02 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1wlo h LYS 5 Cb 0.51 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1wlo h LYS 5 CO 0.03 0.07 -0.01 1.25 -1.08 0.00 0.00 179.45 179.71 1wlo h LEU 6 N 0.10 0.00 -1.80 2.94 7.12 -1.64 -3.30 115.31 118.73 1wlo h LEU 6 Ca 0.82 0.00 0.50 0.00 0.13 0.00 0.00 57.88 59.33 1wlo h LEU 6 Cb 2.36 0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 42.40 1wlo h LEU 6 CO -0.54 0.29 1.16 0.50 -0.13 0.00 0.00 178.44 179.72 1wlo h LYS 7 N -0.57 0.02 -0.35 1.25 1.63 0.53 1.44 116.57 120.53 1wlo h LYS 7 Ca 0.00 -0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.83 1wlo h LYS 7 Cb 0.01 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.60 1wlo h LYS 7 CO 0.00 0.02 0.13 0.37 -3.45 0.00 0.00 179.45 176.52 1wlo h GLN 8 N 0.02 0.28 0.40 1.90 -0.00 0.16 0.27 115.11 118.14 1wlo h GLN 8 Ca 0.85 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 59.47 1wlo h GLN 8 Cb 3.19 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 30.61 1wlo h GLN 8 CO -0.15 0.19 -0.19 0.00 0.00 0.00 0.00 178.83 178.67 1wlo h ALA 9 N 1.21 -0.89 -0.98 3.38 0.00 0.19 1.52 119.26 123.70 1wlo h ALA 9 Ca 0.15 -0.12 0.30 0.00 0.00 0.00 0.00 54.91 55.24 1wlo h ALA 9 Cb 0.11 0.21 -0.18 0.00 0.00 0.00 0.00 17.79 17.93 1wlo h ALA 9 CO -0.14 -0.85 0.16 -0.07 0.00 0.00 0.00 179.25 178.35 1wlo h LEU 10 N -0.67 -0.26 0.17 0.00 3.38 -1.40 1.60 115.31 118.13 1wlo h LEU 10 Ca -0.05 0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1wlo h LEU 10 Cb 0.41 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1wlo h LEU 10 CO 0.09 -0.35 -0.08 -0.33 0.09 0.00 0.00 178.44 177.86 1wlo h GLU 11 N 0.03 -0.22 -0.95 1.13 5.08 -0.35 -2.04 114.58 117.26 1wlo h GLU 11 Ca 0.64 0.01 0.27 0.00 -1.00 0.00 0.00 59.36 59.29 1wlo h GLU 11 Cb 1.42 0.05 -0.17 0.00 0.50 0.00 0.00 28.75 30.55 1wlo h GLU 11 CO -0.86 -0.14 0.10 1.25 -1.00 0.00 0.00 179.01 178.36 1wlo h LEU 12 N -0.49 -0.33 0.62 1.33 5.85 0.33 0.60 115.31 123.23 1wlo h LEU 12 Ca -0.02 0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1wlo h LEU 12 Cb 0.17 0.42 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1wlo h LEU 12 CO 0.04 -0.32 -0.39 0.15 -0.34 0.00 0.00 178.44 177.58 1wlo h PHE 13 N 0.05 -1.05 0.00 1.25 3.57 0.22 1.50 116.94 122.49 1wlo h PHE 13 Ca 0.60 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.09 1wlo h PHE 13 Cb 1.25 0.37 0.00 0.00 2.79 0.00 0.00 35.95 40.37 1wlo h PHE 13 CO -0.41 -0.58 0.20 -0.22 -2.23 0.00 0.00 178.31 175.06 1wlo h LYS 14 N -0.95 0.00 0.04 1.11 3.64 -0.12 0.47 116.57 120.76 1wlo h LYS 14 Ca -0.08 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.99 1wlo h LYS 14 Cb 0.76 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.55 1wlo h LYS 14 CO 0.08 0.00 -1.71 1.03 -2.27 0.00 0.00 179.45 176.58 1wlo h SER 15 N 0.00 0.12 -4.30 4.20 0.87 0.14 -3.47 113.55 111.10 1wlo h SER 15 Ca 0.00 -0.25 -0.51 0.00 -1.23 0.00 0.00 61.79 59.80 1wlo h SER 15 Cb 0.40 -0.04 0.13 0.00 -0.44 0.00 0.00 62.40 62.45 1wlo h SER 15 CO 0.00 1.22 0.32 -0.76 -0.53 0.00 0.00 176.83 177.08 1wlo s LEU 16 N -6.40 3.00 0.16 2.23 1.43 0.50 -4.98 118.68 114.62 1wlo s LEU 16 Ca -0.08 1.77 -0.30 0.00 -1.03 0.00 0.00 54.13 54.49 1wlo s LEU 16 Cb 0.08 -4.48 -0.07 0.00 0.03 0.00 0.00 46.19 41.75 1wlo s LEU 16 CO 0.82 -1.99 1.13 -2.16 0.23 0.00 0.00 176.35 174.37 1wlo s PRO 17 N -4.93 4.55 0.01 1.29 0.04 -1.26 -4.76 135.00 129.94 1wlo s PRO 17 Ca 0.61 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 63.36 1wlo s PRO 17 Cb -0.17 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 1wlo s PRO 17 CO 0.56 -0.00 0.75 0.36 0.04 0.00 0.00 177.00 178.71 1wlo n LYS 18 N 2.65 -0.04 -0.30 4.56 2.85 -1.26 0.68 118.16 127.29 1wlo n LYS 18 Ca 0.04 0.75 -0.05 0.00 -1.05 0.00 0.00 58.31 58.00 1wlo n LYS 18 Cb 0.46 -1.11 -0.03 0.00 -0.65 0.00 0.00 35.03 33.70 1wlo n LYS 18 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1wlo n GLU 19 N -2.98 -0.26 0.23 -1.58 0.28 -1.26 0.73 120.64 115.80 1wlo n GLU 19 Ca 0.00 1.14 -0.15 0.00 -0.16 0.00 0.00 57.16 57.98 1wlo n GLU 19 Cb 0.02 -1.68 -0.08 0.00 1.43 0.00 0.00 31.44 31.14 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 -0.80 -1.72 -1.84 3.38 -0.13 -1.08 115.31 113.12 1wlo h LEU 20 Ca 0.18 0.06 0.52 0.00 0.09 0.00 0.00 57.88 58.73 1wlo h LEU 20 Cb 0.37 0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.29 1wlo h LEU 20 CO -0.72 -0.45 1.21 0.54 0.09 0.00 0.00 178.44 179.11 1wlo n ARG 21 N -5.43 -0.01 0.17 1.13 1.74 0.22 0.17 116.66 114.65 1wlo n ARG 21 Ca -0.10 1.07 -0.14 0.00 -0.77 0.00 0.00 57.85 57.91 1wlo n ARG 21 Cb 0.33 -2.36 -0.08 0.00 -1.02 0.00 0.00 32.46 29.32 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 -0.35 -0.61 0.55 0.87 0.23 -1.90 113.55 112.34 1wlo h SER 22 Ca 0.88 -0.13 -0.10 0.00 -1.23 0.00 0.00 61.79 61.21 1wlo h SER 22 Cb 3.34 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 65.37 1wlo h SER 22 CO -0.13 -0.07 0.00 0.06 -0.53 0.00 0.00 176.83 176.16 1wlo h GLN 23 N -0.64 1.08 0.02 2.24 3.07 0.17 -2.96 115.11 118.09 1wlo h GLN 23 Ca -0.04 -0.34 0.01 0.00 0.09 0.00 0.00 58.65 58.37 1wlo h GLN 23 Cb 0.45 -0.10 -0.03 0.00 0.08 0.00 0.00 27.48 27.88 1wlo h GLN 23 CO 0.07 1.05 -0.31 0.28 0.09 0.00 0.00 178.83 180.01 1wlo h VAL 24 N 0.99 0.00 -1.01 1.86 2.07 -0.50 0.28 116.25 119.93 1wlo h VAL 24 Ca 0.17 0.00 0.34 0.00 0.82 0.00 0.00 66.70 68.03 1wlo h VAL 24 Cb 0.56 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.18 1wlo h VAL 24 CO 0.03 0.00 0.58 -0.07 0.02 0.00 0.00 177.57 178.13 1wlo h LEU 25 N -0.40 0.48 0.59 2.57 3.38 -1.34 0.48 115.31 121.07 1wlo h LEU 25 Ca 0.00 0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1wlo h LEU 25 Cb 0.42 0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.33 1wlo h LEU 25 CO -0.20 -0.18 -0.28 -0.07 0.09 0.00 0.00 178.44 177.81 1wlo h LEU 26 N 0.27 -0.67 -0.30 1.67 -0.00 -0.71 -2.82 115.31 112.76 1wlo h LEU 26 Ca 0.75 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 58.70 1wlo h LEU 26 Cb 1.78 0.17 -0.08 0.00 -0.00 0.00 0.00 40.66 42.54 1wlo h LEU 26 CO -0.62 -0.44 -0.28 -0.33 -0.00 0.00 0.00 178.44 176.77 1wlo h GLU 27 N -0.84 -0.25 -0.98 1.13 5.08 0.32 -0.12 114.58 118.92 1wlo h GLU 27 Ca -0.08 0.02 0.30 0.00 -1.00 0.00 0.00 59.36 58.60 1wlo h GLU 27 Cb 0.63 0.06 -0.18 0.00 0.50 0.00 0.00 28.75 29.76 1wlo h GLU 27 CO 0.13 -0.17 0.18 1.88 -1.00 0.00 0.00 179.01 180.03 1wlo h TYR 28 N -0.26 0.22 -0.15 4.33 -1.99 -0.80 0.93 116.97 119.25 1wlo h TYR 28 Ca 0.15 0.06 -0.01 0.00 2.00 0.00 0.00 58.73 60.93 1wlo h TYR 28 Cb 0.50 0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.29 1wlo h TYR 28 CO -0.46 -0.41 0.04 0.00 -0.00 0.00 0.00 178.16 177.34 1wlo h ALA 29 N 1.96 0.20 0.00 3.88 0.00 -0.79 -1.43 119.26 123.08 1wlo h ALA 29 Ca 0.65 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1wlo h ALA 29 Cb 1.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1wlo h ALA 29 CO -0.85 -0.17 0.19 0.00 0.00 0.00 0.00 179.25 178.42 1wlo h ALA 30 N 0.85 1.19 -0.46 0.00 0.00 0.15 0.75 119.26 121.74 1wlo h ALA 30 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1wlo h ALA 30 Cb 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 1wlo h ALA 30 CO -0.00 -0.19 0.18 1.63 0.00 0.00 0.00 179.25 180.87 1wlo n LYS 31 N -2.97 2.65 -3.89 0.00 4.01 0.13 -4.72 118.16 113.37 1wlo n LYS 31 Ca -0.02 -1.87 -0.34 0.00 -0.51 0.00 0.00 58.31 55.57 1wlo n LYS 31 Cb 0.25 -1.85 -0.13 0.00 -0.51 0.00 0.00 35.03 32.78 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 -2.03 2.83 0.75 -0.18 1.01 0.26 -4.98 120.40 118.05 1wlo s VAL 32 Ca 0.34 -2.11 -0.11 0.00 0.00 0.00 0.00 61.98 60.09 1wlo s VAL 32 Cb 0.27 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.72 1wlo s VAL 32 CO 0.08 -0.60 1.08 -2.16 0.00 0.00 0.00 175.10 173.51 1wlo s PRO 33 N 1.05 2.49 0.58 2.72 0.04 -1.26 -5.04 135.00 135.59 1wlo s PRO 33 Ca 0.08 0.79 -0.16 0.00 0.04 0.00 0.00 61.00 61.75 1wlo s PRO 33 Cb -0.21 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1wlo s PRO 33 CO -0.06 -1.37 1.05 -1.25 0.04 0.00 0.00 177.00 175.41 1wlo s PRO 34 N -5.10 3.40 0.45 0.56 0.04 -1.26 -4.73 135.00 128.35 1wlo s PRO 34 Ca 0.59 1.17 -0.22 0.00 0.04 0.00 0.00 61.00 62.59 1wlo s PRO 34 Cb -0.14 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 1wlo s PRO 34 CO 0.55 -0.74 1.04 -1.25 0.04 0.00 0.00 177.00 176.63 1wlo s PRO 35 N -4.09 3.93 0.55 0.56 0.04 -1.26 -5.02 135.00 129.72 1wlo s PRO 35 Ca 0.63 1.42 -0.17 0.00 0.04 0.00 0.00 61.00 62.92 1wlo s PRO 35 Cb -0.15 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 1wlo s PRO 35 CO 0.36 -0.33 1.05 -1.25 0.04 0.00 0.00 177.00 176.87 1wlo s PRO 36 N -2.97 3.52 -0.68 0.56 0.04 -1.26 -4.90 135.00 129.30 1wlo s PRO 36 Ca 0.64 1.23 -0.06 0.00 0.04 0.00 0.00 61.00 62.85 1wlo s PRO 36 Cb -0.18 -2.06 -0.13 0.00 0.04 0.00 0.00 34.50 32.17 1wlo s PRO 36 CO 0.23 -0.65 2.64 -0.35 0.04 0.00 0.00 177.00 178.91 1wlo n PRO 37 N -1.67 2.22 -1.29 0.56 -0.04 -1.26 -2.96 135.00 130.56 1wlo n PRO 37 Ca 0.09 -1.32 -0.01 0.00 -0.04 0.00 0.00 63.50 62.21 1wlo n PRO 37 Cb 0.53 -2.28 0.01 0.00 -0.04 0.00 0.00 33.50 31.72 1wlo n PRO 37 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wlo n GLY 38 N 3.22 -0.38 2.74 0.55 0.00 -1.26 -5.13 105.19 104.93 1wlo n GLY 38 Ca 0.47 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 46.29 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 0.02 0.04 -0.38 1.61 1.01 -1.16 -5.12 120.40 116.43 1wlo s VAL 39 Ca 0.01 0.25 -0.23 0.00 0.00 0.00 0.00 61.98 62.01 1wlo s VAL 39 Cb 0.05 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 36.22 1wlo s VAL 39 CO -0.02 0.16 0.78 -0.70 0.00 0.00 0.00 175.10 175.33 1wlo s GLU 40 N 1.62 3.70 -0.04 2.72 2.12 -1.26 -4.96 118.70 122.60 1wlo s GLU 40 Ca -0.02 0.24 -0.04 0.00 0.36 0.00 0.00 54.97 55.52 1wlo s GLU 40 Cb -0.13 -3.83 -0.04 0.00 0.26 0.00 0.00 34.13 30.40 1wlo s GLU 40 CO -0.03 -0.89 0.15 -0.51 -0.54 0.00 0.00 175.26 173.44 1wlo s LEU 41 N 3.12 4.27 -0.05 2.70 1.02 -1.26 -4.80 118.68 123.68 1wlo s LEU 41 Ca 0.31 0.34 -0.04 0.00 0.02 0.00 0.00 54.13 54.76 1wlo s LEU 41 Cb -0.13 -2.38 -0.04 0.00 0.02 0.00 0.00 46.19 43.66 1wlo s LEU 41 CO 0.18 0.31 0.14 -0.70 0.02 0.00 0.00 176.35 176.30 1wlo s GLU 42 N -1.62 3.37 0.01 1.70 2.12 -1.08 -4.88 118.70 118.32 1wlo s GLU 42 Ca 0.23 -0.27 -0.29 0.00 0.36 0.00 0.00 54.97 54.99 1wlo s GLU 42 Cb -0.12 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 1wlo s GLU 42 CO 0.13 0.71 0.93 0.50 -0.54 0.00 0.00 175.26 176.99 1wlo s ARG 43 N -1.51 4.56 -0.85 4.30 3.52 -1.26 -2.54 118.95 125.17 1wlo s ARG 43 Ca 0.21 1.33 -0.17 0.00 -0.13 0.00 0.00 55.73 56.97 1wlo s ARG 43 Cb -0.12 -3.44 0.16 0.00 -1.56 0.00 0.00 34.95 29.98 1wlo s ARG 43 CO 0.12 0.01 0.95 0.08 -0.81 0.00 0.00 175.30 175.65 1wlo s VAL 44 N 0.81 5.03 0.29 7.11 1.01 -0.12 -4.87 120.40 129.66 1wlo s VAL 44 Ca 0.49 -1.79 0.02 0.00 0.00 0.00 0.00 61.98 60.69 1wlo s VAL 44 Cb -0.21 -4.64 0.29 0.00 0.00 0.00 0.00 36.38 31.82 1wlo s VAL 44 CO 0.27 -1.30 1.84 0.45 0.00 0.00 0.00 175.10 176.35 1wlo h HIS 45 N 8.53 1.14 -1.53 5.22 -0.00 -1.90 0.66 115.15 127.26 1wlo h HIS 45 Ca 0.08 0.03 0.46 0.00 -0.00 0.00 0.00 60.37 60.94 1wlo h HIS 45 Cb 1.04 -0.36 -0.08 0.00 -0.00 0.00 0.00 27.41 28.00 1wlo h HIS 45 CO 1.08 0.45 1.08 1.49 -0.00 0.00 0.00 177.93 182.03 1wlo h GLU 46 N 0.99 0.04 -5.08 2.45 4.57 -1.92 -3.33 114.58 112.30 1wlo h GLU 46 Ca 0.50 -0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 58.05 1wlo h GLU 46 Cb 0.49 -0.01 -0.15 0.00 -0.16 0.00 0.00 28.75 28.93 1wlo h GLU 46 CO -0.26 0.03 -0.51 0.00 -1.18 0.00 0.00 179.01 177.09 1wlo h GLN 48 N 7.54 0.33 -7.23 0.00 4.20 -1.81 -3.42 115.11 114.71 1wlo h GLN 48 Ca -0.38 -0.02 -0.49 0.00 0.06 0.00 0.00 58.65 57.82 1wlo h GLN 48 Cb 1.17 -0.07 0.05 0.00 0.30 0.00 0.00 27.48 28.92 1wlo h GLN 48 CO 0.65 0.22 0.38 0.95 -0.67 0.00 0.00 178.83 180.36 1wlo s THR 49 N -5.33 4.24 -1.13 -0.54 -4.23 -1.26 -4.91 115.64 102.47 1wlo s THR 49 Ca -0.07 0.98 -0.15 0.00 -1.18 0.00 0.00 61.69 61.27 1wlo s THR 49 Cb 0.20 -3.58 -0.07 0.00 1.34 0.00 0.00 72.50 70.39 1wlo s THR 49 CO 0.75 -0.70 2.19 -0.81 -0.54 0.00 0.00 174.62 175.51 1wlo n PRO 50 N -2.07 2.33 -3.38 3.99 -0.04 -1.26 -4.82 135.00 129.74 1wlo n PRO 50 Ca 0.07 -2.07 -0.37 0.00 -0.04 0.00 0.00 63.50 61.09 1wlo n PRO 50 Cb 0.54 -2.94 -0.06 0.00 -0.04 0.00 0.00 33.50 30.99 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 3.76 3.71 -0.00 0.54 5.36 -1.26 -4.56 117.98 125.53 1wlo s PHE 51 Ca 0.53 1.10 0.01 0.00 -0.96 0.00 0.00 56.93 57.60 1wlo s PHE 51 Cb 0.14 -2.38 -0.00 0.00 -0.34 0.00 0.00 43.02 40.44 1wlo s PHE 51 CO 0.00 0.56 -0.03 -0.06 -1.46 0.00 0.00 175.22 174.23 1wlo s PHE 52 N -1.22 0.27 0.04 10.12 0.08 -1.18 -0.95 117.98 125.14 1wlo s PHE 52 Ca 0.30 -0.08 -0.06 0.00 0.12 0.00 0.00 56.93 57.22 1wlo s PHE 52 Cb -0.17 -0.17 -0.01 0.00 -0.57 0.00 0.00 43.02 42.10 1wlo s PHE 52 CO 0.17 -0.01 0.10 0.54 -0.10 0.00 0.00 175.22 175.92 1wlo s VAL 53 N -0.15 0.14 -0.18 -0.44 0.11 -1.05 -1.83 120.40 117.00 1wlo s VAL 53 Ca 0.00 -1.11 -0.13 0.00 -2.93 0.00 0.00 61.98 57.81 1wlo s VAL 53 Cb -0.02 -0.94 0.06 0.00 -1.53 0.00 0.00 36.38 33.95 1wlo s VAL 53 CO -0.00 -0.61 0.46 -2.28 -3.33 0.00 0.00 175.10 169.33 1wlo s HIS 54 N -2.72 -0.61 0.14 1.54 5.04 -0.26 -2.63 115.29 115.80 1wlo s HIS 54 Ca -0.04 1.35 0.10 0.00 -1.54 0.00 0.00 55.06 54.93 1wlo s HIS 54 Cb -0.01 0.26 -0.04 0.00 0.04 0.00 0.00 32.58 32.84 1wlo s HIS 54 CO -0.05 -0.32 -0.20 0.00 -2.34 0.00 0.00 174.74 171.83 1wlo s ALA 55 N 0.96 2.62 0.24 1.58 0.00 -1.26 -1.85 121.76 124.05 1wlo s ALA 55 Ca -0.06 -1.45 -0.20 0.00 0.00 0.00 0.00 51.96 50.25 1wlo s ALA 55 Cb -0.06 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.55 1wlo s ALA 55 CO -0.08 0.54 0.65 -0.51 0.00 0.00 0.00 175.76 176.36 1wlo s ASP 56 N -2.31 -0.32 -0.31 0.00 1.01 -0.99 -4.75 116.67 109.00 1wlo s ASP 56 Ca 0.18 -0.47 -0.00 0.00 0.71 0.00 0.00 52.55 52.97 1wlo s ASP 56 Cb -0.10 0.67 0.07 0.00 1.01 0.00 0.00 42.92 44.57 1wlo s ASP 56 CO 0.10 -1.21 0.01 -0.69 0.21 0.00 0.00 175.17 173.59 1wlo s VAL 57 N -3.88 2.78 -0.11 -1.27 1.01 -1.26 -0.56 120.40 117.11 1wlo s VAL 57 Ca 0.09 -1.64 0.01 0.00 0.00 0.00 0.00 61.98 60.44 1wlo s VAL 57 Cb -0.04 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.66 1wlo s VAL 57 CO 0.01 -0.23 -0.13 -1.61 0.00 0.00 0.00 175.10 173.14 1wlo s GLU 58 N 1.16 2.00 -1.20 2.72 0.41 -0.44 -4.76 118.70 118.60 1wlo s GLU 58 Ca -0.02 -0.47 -0.03 0.00 -0.41 0.00 0.00 54.97 54.04 1wlo s GLU 58 Cb -0.20 -1.81 0.00 0.00 -1.78 0.00 0.00 34.13 30.34 1wlo s GLU 58 CO -0.03 -0.15 1.02 0.41 -0.49 0.00 0.00 175.26 176.02 1wlo n GLY 59 N 4.48 -0.38 2.35 -1.39 0.00 -1.26 -1.49 105.19 107.49 1wlo n GLY 59 Ca -0.17 0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.41 0.91 3.62 -0.02 0.00 -1.26 -4.93 105.19 102.09 1wlo n GLY 60 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.98 2.03 -0.19 1.61 1.02 -0.56 -4.74 119.74 114.92 1wlo s LYS 61 Ca 0.00 -2.26 -0.04 0.00 0.02 0.00 0.00 55.97 53.70 1wlo s LYS 61 Cb 0.00 -1.03 -0.02 0.00 -0.52 0.00 0.00 37.83 36.26 1wlo s LYS 61 CO 0.00 -0.40 -0.04 0.08 -0.92 0.00 0.00 175.35 174.07 1wlo s VAL 62 N -3.06 3.64 -0.40 3.17 1.01 0.16 -1.33 120.40 123.59 1wlo s VAL 62 Ca 0.17 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 1wlo s VAL 62 Cb 0.03 -2.63 0.04 0.00 0.00 0.00 0.00 36.38 33.82 1wlo s VAL 62 CO 0.10 0.45 0.25 -0.13 0.00 0.00 0.00 175.10 175.77 1wlo s ARG 63 N 0.99 2.83 0.22 2.72 1.81 0.27 -0.90 118.95 126.88 1wlo s ARG 63 Ca 0.01 -1.16 -0.07 0.00 -1.72 0.00 0.00 55.73 52.78 1wlo s ARG 63 Cb -0.15 -3.83 -0.06 0.00 -0.45 0.00 0.00 34.95 30.47 1wlo s ARG 63 CO 0.01 -0.78 0.50 -0.51 -0.68 0.00 0.00 175.30 173.83 1wlo s LEU 64 N 1.56 4.18 -0.21 2.53 1.43 -1.26 -2.35 118.68 124.55 1wlo s LEU 64 Ca 0.03 0.78 -0.07 0.00 -1.03 0.00 0.00 54.13 53.83 1wlo s LEU 64 Cb -0.20 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.57 1wlo s LEU 64 CO 0.07 -0.06 0.45 -0.31 0.23 0.00 0.00 176.35 176.73 1wlo s TYR 65 N -1.82 -0.87 0.35 0.29 2.02 -0.77 -4.99 117.35 111.55 1wlo s TYR 65 Ca 0.45 1.64 0.09 0.00 -0.37 0.00 0.00 57.07 58.88 1wlo s TYR 65 Cb -0.11 0.38 -0.06 0.00 -0.40 0.00 0.00 41.96 41.76 1wlo s TYR 65 CO 0.24 -0.51 -0.02 -0.06 -1.57 0.00 0.00 175.55 173.63 1wlo s PHE 66 N 2.63 2.49 -0.22 2.71 0.08 -1.26 -1.10 117.98 123.31 1wlo s PHE 66 Ca -0.03 -0.50 -0.05 0.00 0.12 0.00 0.00 56.93 56.48 1wlo s PHE 66 Cb -0.12 -1.51 0.11 0.00 -0.57 0.00 0.00 43.02 40.93 1wlo s PHE 66 CO -0.14 0.50 0.40 -1.58 -0.10 0.00 0.00 175.22 174.30 1wlo s HIS 67 N -2.58 -0.82 -0.32 0.36 2.46 -0.76 -4.08 115.29 109.56 1wlo s HIS 67 Ca 0.34 1.19 0.01 0.00 0.47 0.00 0.00 55.06 57.07 1wlo s HIS 67 Cb 0.02 0.17 0.10 0.00 -0.13 0.00 0.00 32.58 32.74 1wlo s HIS 67 CO 0.18 -0.60 0.08 0.08 -2.47 0.00 0.00 174.74 172.02 1wlo s VAL 68 N 2.58 1.34 -0.08 0.89 1.01 -1.26 -3.12 120.40 121.76 1wlo s VAL 68 Ca 0.06 -1.70 -0.26 0.00 0.00 0.00 0.00 61.98 60.08 1wlo s VAL 68 Cb -0.14 -2.00 -0.21 0.00 0.00 0.00 0.00 36.38 34.03 1wlo s VAL 68 CO -0.14 -0.64 0.95 1.55 0.00 0.00 0.00 175.10 176.82 1wlo h PRO 69 N 7.93 -0.03 0.00 2.72 0.13 -1.98 -3.06 132.00 137.71 1wlo h PRO 69 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1wlo h PRO 69 Cb 1.02 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1wlo h PRO 69 CO 0.49 0.65 0.00 -3.47 -0.23 0.00 0.00 178.00 175.44 1wlo n ASP 70 N -4.76 0.02 -0.52 1.44 -0.08 -1.26 -4.76 116.55 106.63 1wlo n ASP 70 Ca -0.09 0.51 -0.07 0.00 -1.51 0.00 0.00 54.79 53.63 1wlo n ASP 70 Cb 0.34 -0.51 -0.03 0.00 2.34 0.00 0.00 41.12 43.26 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 -1.53 -1.20 -1.72 -0.67 1.02 -1.16 -4.87 120.64 110.52 1wlo n GLU 71 Ca 0.00 0.66 -0.61 0.00 -0.02 0.00 0.00 57.16 57.19 1wlo n GLU 71 Cb 0.01 -4.73 -0.08 0.00 -0.02 0.00 0.00 31.44 26.62 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 1.13 -0.55 -0.00 0.62 0.00 -1.26 -4.85 120.51 115.59 1wlo n ALA 72 Ca -0.07 0.42 -0.11 0.00 0.00 0.00 0.00 53.44 53.68 1wlo n ALA 72 Cb 0.40 -2.13 -0.09 0.00 0.00 0.00 0.00 19.45 17.63 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 6.55 -0.10 -1.56 0.00 0.13 -1.97 -0.38 132.00 134.67 1wlo h PRO 73 Ca -0.46 0.01 0.45 0.00 -0.87 0.00 0.00 66.00 65.13 1wlo h PRO 73 Cb 1.33 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.42 1wlo h PRO 73 CO 0.97 0.47 1.21 1.79 -0.23 0.00 0.00 178.00 182.21 1wlo h THR 74 N -0.85 0.12 0.05 1.56 1.35 -1.99 1.70 112.91 114.84 1wlo h THR 74 Ca -0.01 0.00 -0.36 0.00 -0.55 0.00 0.00 66.41 65.49 1wlo h THR 74 Cb 0.61 0.13 -0.04 0.00 -1.73 0.00 0.00 68.15 67.11 1wlo h THR 74 CO 0.02 0.00 -2.11 0.52 -0.25 0.00 0.00 175.52 173.70 1wlo n VAL 75 N -3.86 1.62 0.06 6.82 0.31 -1.21 -3.97 118.33 118.10 1wlo n VAL 75 Ca 0.35 -0.69 -0.13 0.00 -0.01 0.00 0.00 64.34 63.86 1wlo n VAL 75 Cb 1.69 -1.33 -0.07 0.00 -0.91 0.00 0.00 33.84 33.22 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 0.03 -0.08 -0.25 5.55 1.63 0.39 0.99 116.57 124.84 1wlo h LYS 76 Ca -0.45 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.39 1wlo h LYS 76 Cb 2.03 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 33.61 1wlo h LYS 76 CO 0.03 -0.02 -0.44 0.00 -3.45 0.00 0.00 179.45 175.57 1wlo h ALA 77 N 0.83 -0.73 0.09 5.00 0.00 0.33 0.39 119.26 125.17 1wlo h ALA 77 Ca -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1wlo h ALA 77 Cb 0.09 1.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1wlo h ALA 77 CO 0.01 -0.92 -0.39 0.35 0.00 0.00 0.00 179.25 178.30 1wlo h PHE 78 N -0.37 -1.08 -0.86 0.00 3.57 -1.66 0.14 116.94 116.68 1wlo h PHE 78 Ca 0.05 0.03 0.22 0.00 3.53 0.00 0.00 57.97 61.79 1wlo h PHE 78 Cb 0.50 0.46 -0.15 0.00 2.79 0.00 0.00 35.95 39.55 1wlo h PHE 78 CO -0.65 -0.48 0.07 0.00 -2.23 0.00 0.00 178.31 175.02 1wlo h ALA 79 N -0.04 1.02 0.00 2.41 0.00 -0.14 2.02 119.26 124.53 1wlo h ALA 79 Ca 0.03 0.27 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1wlo h ALA 79 Cb 0.64 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1wlo h ALA 79 CO -0.25 -0.48 -0.25 0.78 0.00 0.00 0.00 179.25 179.05 1wlo h GLY 80 N 0.10 0.00 1.05 0.00 0.00 0.92 -2.65 103.07 102.50 1wlo h GLY 80 Ca 0.50 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.72 1wlo h GLY 80 CO -0.74 0.00 -0.18 -2.00 0.00 0.00 0.00 176.54 173.61 1wlo h LEU 81 N 0.00 0.92 0.51 3.11 5.85 0.59 0.34 115.31 126.63 1wlo h LEU 81 Ca -0.00 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1wlo h LEU 81 Cb 0.60 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1wlo h LEU 81 CO 0.03 1.11 -0.48 -0.07 -0.34 0.00 0.00 178.44 178.70 1wlo h LEU 82 N 0.73 -1.29 -1.03 2.25 -0.00 -0.65 -2.40 115.31 112.93 1wlo h LEU 82 Ca 0.10 0.10 -0.03 0.00 -0.00 0.00 0.00 57.88 58.05 1wlo h LEU 82 Cb 0.75 0.42 -0.03 0.00 -0.00 0.00 0.00 40.66 41.80 1wlo h LEU 82 CO 0.06 -0.65 0.28 -0.09 -0.00 0.00 0.00 178.44 178.04 1wlo h ARG 83 N -0.98 0.98 -1.05 1.13 2.43 -1.53 -2.06 114.38 113.30 1wlo h ARG 83 Ca -0.06 -0.15 0.37 0.00 -0.81 0.00 0.00 59.98 59.33 1wlo h ARG 83 Cb 0.85 -0.17 -0.12 0.00 -0.42 0.00 0.00 29.97 30.11 1wlo h ARG 83 CO -0.04 0.78 0.66 -0.85 -1.51 0.00 0.00 179.97 179.01 1wlo n GLU 84 N -4.31 -0.03 -2.82 0.20 -0.00 0.12 -1.23 120.64 112.57 1wlo n GLU 84 Ca 0.06 1.01 -0.11 0.00 -0.00 0.00 0.00 57.16 58.13 1wlo n GLU 84 Cb 0.16 -1.97 0.04 0.00 -0.00 0.00 0.00 31.44 29.68 1wlo n GLU 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wlo n GLY 85 N -1.38 1.87 1.14 -1.84 0.00 -0.99 -4.72 105.19 99.26 1wlo n GLY 85 Ca 0.32 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.02 0.00 -4.61 0.99 4.77 -0.36 -3.76 117.00 114.01 1wlo n LEU 86 Ca 0.10 0.00 -0.47 0.00 -0.03 0.00 0.00 56.01 55.61 1wlo n LEU 86 Cb 0.76 0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 42.04 1wlo n LEU 86 CO 0.14 -0.28 1.65 1.21 -1.33 0.00 0.00 177.39 178.78 1wlo n GLU 87 N -2.07 1.94 0.00 3.23 2.13 -1.00 0.70 120.64 125.57 1wlo n GLU 87 Ca 0.00 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1wlo n GLU 87 Cb 0.00 -2.77 0.00 0.00 0.27 0.00 0.00 31.44 28.94 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 5.21 1.94 1.22 8.31 0.00 -0.08 -4.98 105.19 116.80 1wlo n GLY 88 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.00 -1.92 -3.39 1.61 -0.58 0.22 -4.03 120.64 110.56 1wlo n GLU 89 Ca 0.00 -0.60 -0.25 0.00 -0.42 0.00 0.00 57.16 55.89 1wlo n GLU 89 Cb 0.00 -0.59 -0.02 0.00 -0.57 0.00 0.00 31.44 30.27 1wlo n GLU 89 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1wlo s SER 90 N -2.52 6.33 0.00 1.62 1.04 -1.26 0.36 113.70 119.27 1wlo s SER 90 Ca 0.25 0.50 0.22 0.00 0.48 0.00 0.00 55.95 57.40 1wlo s SER 90 Cb -0.03 -2.05 0.97 0.00 0.10 0.00 0.00 66.02 65.01 1wlo s SER 90 CO 0.19 -0.25 1.71 -0.81 0.98 0.00 0.00 173.24 175.05 1wlo n PRO 91 N -1.52 0.06 -0.05 4.02 -0.04 -1.26 -1.56 135.00 134.64 1wlo n PRO 91 Ca -0.04 0.12 -0.19 0.00 -0.04 0.00 0.00 63.50 63.35 1wlo n PRO 91 Cb 0.55 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.46 0.71 0.09 0.54 -0.58 -1.26 -3.36 120.64 115.32 1wlo n GLU 92 Ca 0.06 0.21 -0.06 0.00 -0.42 0.00 0.00 57.16 56.95 1wlo n GLU 92 Cb 0.24 -1.63 0.08 0.00 -0.57 0.00 0.00 31.44 29.56 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 0.13 0.75 -0.27 0.62 0.00 -1.89 -2.71 119.26 115.89 1wlo h ALA 93 Ca -0.49 -0.62 -0.08 0.00 0.00 0.00 0.00 54.91 53.73 1wlo h ALA 93 Cb 1.99 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 1wlo h ALA 93 CO 0.01 0.81 -0.14 0.28 0.00 0.00 0.00 179.25 180.22 1wlo h VAL 94 N 0.12 1.30 -0.70 0.00 2.07 -1.46 -2.80 116.25 114.78 1wlo h VAL 94 Ca -0.02 -1.24 0.05 0.00 0.82 0.00 0.00 66.70 66.32 1wlo h VAL 94 Cb 1.25 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 32.52 1wlo h VAL 94 CO 0.11 0.39 0.46 -0.07 0.02 0.00 0.00 177.57 178.47 1wlo h LEU 95 N 0.30 0.67 -2.15 2.57 -0.00 -1.55 0.14 115.31 115.28 1wlo h LEU 95 Ca 0.06 -0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.99 1wlo h LEU 95 Cb 0.66 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 1wlo h LEU 95 CO 0.04 0.45 0.16 -0.33 -0.00 0.00 0.00 178.44 178.76 1wlo h GLU 96 N 0.77 0.00 -6.17 1.13 4.39 -1.20 -3.40 114.58 110.10 1wlo h GLU 96 Ca 0.29 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.42 1wlo h GLU 96 Cb 0.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1wlo h GLU 96 CO -0.09 0.00 1.33 0.08 -1.16 0.00 0.00 179.01 179.17 1wlo s VAL 97 N -4.82 3.24 0.79 3.13 1.01 0.47 -4.37 120.40 119.86 1wlo s VAL 97 Ca -0.05 0.26 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 1wlo s VAL 97 Cb 0.17 -3.28 0.07 0.00 0.00 0.00 0.00 36.38 33.34 1wlo s VAL 97 CO 0.62 -0.14 1.10 -2.16 0.00 0.00 0.00 175.10 174.51 1wlo s PRO 98 N 5.54 2.12 0.00 2.72 0.04 -1.26 -4.93 135.00 139.23 1wlo s PRO 98 Ca 0.88 0.65 0.24 0.00 0.04 0.00 0.00 61.00 62.81 1wlo s PRO 98 Cb -0.31 -1.92 1.40 0.00 0.04 0.00 0.00 34.50 33.71 1wlo s PRO 98 CO 0.35 -1.60 1.79 -0.35 0.04 0.00 0.00 177.00 177.22 1wlo n PRO 99 N -3.42 0.71 -0.60 0.56 -0.04 -1.26 -2.47 135.00 128.48 1wlo n PRO 99 Ca 0.07 0.01 0.05 0.00 -0.04 0.00 0.00 63.50 63.59 1wlo n PRO 99 Cb 0.56 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.50 3.01 0.32 0.55 0.00 -1.26 -4.78 105.19 103.53 1wlo n GLY 100 Ca 0.17 -0.83 0.18 0.00 0.00 0.00 0.00 46.02 45.55 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 0.45 0.00 0.00 1.61 -5.15 -1.86 0.13 116.94 112.12 1wlo h PHE 101 Ca -0.05 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.60 1wlo h PHE 101 Cb 1.29 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.44 1wlo h PHE 101 CO 0.24 0.00 -0.68 0.10 -2.00 0.00 0.00 178.31 175.98 1wlo h TYR 102 N 0.00 0.00 -2.28 6.09 -0.00 -1.86 -3.46 116.97 115.46 1wlo h TYR 102 Ca 0.02 0.00 -0.62 0.00 0.00 0.00 0.00 58.73 58.13 1wlo h TYR 102 Cb 0.14 0.00 0.08 0.00 0.00 0.00 0.00 36.73 36.95 1wlo h TYR 102 CO 0.00 0.53 0.44 0.54 -0.00 0.00 0.00 178.16 179.67 1wlo n ARG 103 N -3.17 1.58 -2.65 0.10 1.74 0.44 -3.55 116.66 111.15 1wlo n ARG 103 Ca 0.00 0.56 -0.06 0.00 -0.77 0.00 0.00 57.85 57.58 1wlo n ARG 103 Cb 0.76 -2.14 0.01 0.00 -1.02 0.00 0.00 32.46 30.07 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 2.12 -1.21 0.29 -0.13 0.00 -1.26 -4.93 105.19 100.06 1wlo n GLY 104 Ca 0.14 1.00 0.00 0.00 0.00 0.00 0.00 46.02 47.15 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 -0.44 -0.36 0.00 1.61 4.01 -1.23 -5.03 117.16 115.72 1wlo n TYR 105 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1wlo n TYR 105 Cb 0.40 0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 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 -0.97 1.83 0.31 2.72 0.00 -1.26 -4.04 105.19 103.78 1wlo n GLY 106 Ca 0.00 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 0.23 -0.36 0.99 -0.00 -1.95 0.83 115.31 115.04 1wlo h LEU 107 Ca 0.00 0.17 0.06 0.00 -0.00 0.00 0.00 57.88 58.11 1wlo h LEU 107 Cb 0.00 0.17 -0.09 0.00 -0.00 0.00 0.00 40.66 40.75 1wlo h LEU 107 CO 0.00 -0.05 -0.44 -0.33 -0.00 0.00 0.00 178.44 177.61 1wlo h GLU 108 N 0.33 -0.35 -0.09 1.13 5.08 -1.80 0.80 114.58 119.68 1wlo h GLU 108 Ca 0.56 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.89 1wlo h GLU 108 Cb 1.08 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1wlo h GLU 108 CO -0.56 -0.23 -0.15 0.93 -1.00 0.00 0.00 179.01 178.00 1wlo h GLU 109 N -0.36 0.25 0.00 2.33 4.39 -1.33 -3.34 114.58 116.52 1wlo h GLU 109 Ca 0.12 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1wlo h GLU 109 Cb 0.59 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1wlo h GLU 109 CO -0.55 0.73 -0.08 0.74 -1.16 0.00 0.00 179.01 178.69 1wlo h PHE 110 N -0.20 -0.23 -3.75 4.33 0.04 0.11 -3.42 116.94 113.83 1wlo h PHE 110 Ca 0.01 0.01 -0.49 0.00 2.80 0.00 0.00 57.97 60.29 1wlo h PHE 110 Cb 0.71 0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.94 1wlo h PHE 110 CO 0.10 -0.08 0.11 -0.06 -0.60 0.00 0.00 178.31 177.78 1wlo s PHE 111 N -3.40 3.38 0.82 -0.55 0.08 0.27 -5.05 117.98 113.53 1wlo s PHE 111 Ca -0.02 1.22 -0.11 0.00 0.12 0.00 0.00 56.93 58.14 1wlo s PHE 111 Cb 0.01 -2.55 0.08 0.00 -0.57 0.00 0.00 43.02 40.00 1wlo s PHE 111 CO 0.09 0.06 1.09 0.95 -0.10 0.00 0.00 175.22 177.31 1wlo s THR 112 N -2.04 3.07 -1.00 0.64 -4.23 -1.26 -4.56 115.64 106.25 1wlo s THR 112 Ca 0.54 0.35 0.22 0.00 -1.18 0.00 0.00 61.69 61.62 1wlo s THR 112 Cb -0.10 -2.90 0.18 0.00 1.34 0.00 0.00 72.50 71.02 1wlo s THR 112 CO 0.19 -0.45 1.70 -0.81 -0.54 0.00 0.00 174.62 174.70 1wlo n PRO 113 N -3.62 0.00 -0.09 3.99 -0.04 -1.26 -2.24 135.00 131.74 1wlo n PRO 113 Ca 0.08 0.12 -0.14 0.00 -0.04 0.00 0.00 63.50 63.52 1wlo n PRO 113 Cb 0.55 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.44 1wlo n PRO 113 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1wlo h LEU 114 N 0.00 0.00 -1.89 1.53 -0.00 -1.99 -3.19 115.31 109.78 1wlo h LEU 114 Ca 0.00 -0.30 0.07 0.00 -0.00 0.00 0.00 57.88 57.65 1wlo h LEU 114 Cb 0.38 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.02 1wlo h LEU 114 CO 0.00 1.13 0.23 -0.09 -0.00 0.00 0.00 178.44 179.71 1wlo h ARG 115 N -1.00 0.13 -0.16 1.13 2.43 -1.94 -1.14 114.38 113.84 1wlo h ARG 115 Ca -0.18 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.94 1wlo h ARG 115 Cb 0.91 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1wlo h ARG 115 CO -0.11 0.09 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.32 1wlo h LEU 116 N 0.14 0.31 -1.82 3.80 3.38 -1.60 -1.28 115.31 118.23 1wlo h LEU 116 Ca 0.15 -0.38 0.54 0.00 0.09 0.00 0.00 57.88 58.27 1wlo h LEU 116 Cb 0.42 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 1wlo h LEU 116 CO -0.02 0.63 1.30 0.54 0.09 0.00 0.00 178.44 180.98 1wlo n ARG 117 N -4.67 -0.00 -0.10 1.13 1.74 -0.43 0.04 116.66 114.37 1wlo n ARG 117 Ca -0.05 1.04 -0.15 0.00 -0.77 0.00 0.00 57.85 57.92 1wlo n ARG 117 Cb 0.27 -2.36 -0.06 0.00 -1.02 0.00 0.00 32.46 29.29 1wlo n ARG 117 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wlo n GLY 118 N -1.84 -0.72 0.46 -0.13 0.00 -1.05 -3.72 105.19 98.19 1wlo n GLY 118 Ca 0.42 -0.14 0.37 0.00 0.00 0.00 0.00 46.02 46.67 1wlo n GLY 118 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wlo h LEU 119 N -1.00 0.24 -0.10 0.99 4.07 0.34 1.31 115.31 121.16 1wlo h LEU 119 Ca -0.22 0.14 -0.03 0.00 0.08 0.00 0.00 57.88 57.86 1wlo h LEU 119 Cb 1.03 0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.91 1wlo h LEU 119 CO -0.13 -0.20 -0.07 -0.33 -1.08 0.00 0.00 178.44 176.63 1wlo h GLU 120 N 0.07 0.22 -0.97 1.13 4.39 -0.57 -3.14 114.58 115.71 1wlo h GLU 120 Ca 0.83 -0.10 0.21 0.00 0.34 0.00 0.00 59.36 60.64 1wlo h GLU 120 Cb 2.61 -0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 31.07 1wlo h GLU 120 CO -0.44 0.60 -0.18 0.00 -1.16 0.00 0.00 179.01 177.83 1wlo n ALA 121 N -2.37 0.29 -0.03 3.43 0.00 0.45 -0.73 120.51 121.56 1wlo n ALA 121 Ca -0.07 1.06 0.00 0.00 0.00 0.00 0.00 53.44 54.43 1wlo n ALA 121 Cb 0.29 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1wlo n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wlo n ALA 122 N -3.53 0.00 -0.25 0.00 0.00 -1.06 0.15 120.51 115.82 1wlo n ALA 122 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.52 1wlo n ALA 122 Cb 0.54 0.49 -0.06 0.00 0.00 0.00 0.00 19.45 20.43 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 -1.72 -0.55 0.00 5.85 -1.06 0.88 115.31 118.71 1wlo h LEU 123 Ca 0.00 0.27 0.09 0.00 0.84 0.00 0.00 57.88 59.08 1wlo h LEU 123 Cb 0.00 0.77 -0.11 0.00 0.37 0.00 0.00 40.66 41.69 1wlo h LEU 123 CO 0.00 -0.32 -0.38 -0.07 -0.34 0.00 0.00 178.44 177.32 1wlo h LEU 124 N -0.20 -1.32 0.62 2.25 3.38 -0.28 1.16 115.31 120.94 1wlo h LEU 124 Ca 0.17 0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.35 1wlo h LEU 124 Cb 0.54 0.62 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1wlo h LEU 124 CO -0.75 -0.33 -0.49 0.03 0.09 0.00 0.00 178.44 177.00 1wlo h ARG 125 N -0.21 -1.04 -0.63 1.13 3.08 0.44 0.24 114.38 117.39 1wlo h ARG 125 Ca 0.20 0.07 0.12 0.00 0.07 0.00 0.00 59.98 60.44 1wlo h ARG 125 Cb 0.56 0.24 -0.12 0.00 0.08 0.00 0.00 29.97 30.73 1wlo h ARG 125 CO -0.66 -0.69 -0.17 -0.07 -1.07 0.00 0.00 179.97 177.31 1wlo h LEU 126 N -1.08 -0.61 -2.23 3.04 3.38 0.16 1.48 115.31 119.45 1wlo h LEU 126 Ca -0.08 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1wlo h LEU 126 Cb 0.90 0.40 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1wlo h LEU 126 CO 0.01 -0.21 -0.03 1.56 0.09 0.00 0.00 178.44 179.86 1wlo h GLN 127 N -0.01 0.00 0.00 1.13 4.20 0.18 1.22 115.11 121.83 1wlo h GLN 127 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1wlo h GLN 127 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1wlo h GLN 127 CO -0.65 0.03 -0.49 0.00 -0.67 0.00 0.00 178.83 177.05 1wlo h ALA 128 N 1.97 0.69 0.00 3.87 0.00 0.51 -2.53 119.26 123.76 1wlo h ALA 128 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1wlo h ALA 128 Cb 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1wlo h ALA 128 CO 0.00 0.00 -2.09 1.04 0.00 0.00 0.00 179.25 178.21 1wlo n GLN 129 N -2.26 0.67 -0.07 0.00 6.02 0.26 -4.44 117.38 117.56 1wlo n GLN 129 Ca 0.03 -0.06 -0.11 0.00 -0.01 0.00 0.00 57.00 56.85 1wlo n GLN 129 Cb 0.45 -1.56 -0.10 0.00 1.02 0.00 0.00 30.24 30.06 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 1.32 -1.29 5.09 2.07 0.12 -3.30 116.25 120.26 1wlo h VAL 130 Ca -0.26 -2.02 0.41 0.00 0.82 0.00 0.00 66.70 65.65 1wlo h VAL 130 Cb 1.62 2.52 -0.09 0.00 -1.52 0.00 0.00 31.29 33.82 1wlo h VAL 130 CO 0.02 0.45 0.88 0.54 0.02 0.00 0.00 177.57 179.47 1wlo n ARG 131 N -4.64 -0.02 0.21 1.57 1.74 -0.95 0.23 116.66 114.81 1wlo n ARG 131 Ca -0.09 0.93 -0.14 0.00 -0.77 0.00 0.00 57.85 57.78 1wlo n ARG 131 Cb 0.38 -1.96 -0.08 0.00 -1.02 0.00 0.00 32.46 29.79 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 -0.54 -0.86 5.56 1.57 -1.78 -3.04 116.57 117.48 1wlo h LYS 132 Ca 0.71 0.04 0.21 0.00 -1.87 0.00 0.00 60.65 59.74 1wlo h LYS 132 Cb 2.55 0.12 -0.15 0.00 0.08 0.00 0.00 32.23 34.83 1wlo h LYS 132 CO -0.22 -0.23 0.00 0.00 -0.57 0.00 0.00 179.45 178.43 1wlo h ALA 133 N -0.45 0.92 -1.14 3.86 0.00 0.27 1.53 119.26 124.26 1wlo h ALA 133 Ca -0.06 0.28 0.38 0.00 0.00 0.00 0.00 54.91 55.51 1wlo h ALA 133 Cb 0.55 0.50 -0.14 0.00 0.00 0.00 0.00 17.79 18.71 1wlo h ALA 133 CO 0.09 -0.47 0.69 -0.07 0.00 0.00 0.00 179.25 179.50 1wlo h LEU 134 N 0.07 0.37 -3.11 0.00 4.07 -1.30 1.26 115.31 116.66 1wlo h LEU 134 Ca 0.48 0.17 -0.05 0.00 0.08 0.00 0.00 57.88 58.56 1wlo h LEU 134 Cb 0.90 0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.75 1wlo h LEU 134 CO -0.78 -0.17 -0.31 1.07 -1.08 0.00 0.00 178.44 177.17 1wlo n THR 135 N -4.88 2.28 -0.80 0.22 5.66 0.49 -5.14 114.28 112.11 1wlo n THR 135 Ca 0.34 -2.97 0.00 0.00 -3.05 0.00 0.00 64.05 58.38 1wlo n THR 135 Cb 1.20 -0.26 0.00 0.00 -1.55 0.00 0.00 70.33 69.72 1wlo n THR 135 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78