#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wlo s VAL 2 N 0.00 3.07 1.01 1.12 1.01 -1.26 -4.52 120.40 120.82 1wlo s VAL 2 Ca 0.00 1.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.84 1wlo s VAL 2 Cb 0.00 -3.61 0.20 0.00 0.00 0.00 0.00 36.38 32.96 1wlo s VAL 2 CO 0.00 0.19 1.18 -2.16 0.00 0.00 0.00 175.10 174.31 1wlo s PRO 3 N -1.90 0.34 -0.06 2.72 0.04 -1.26 -4.83 135.00 130.05 1wlo s PRO 3 Ca 0.51 -0.01 -0.11 0.00 0.04 0.00 0.00 61.00 61.43 1wlo s PRO 3 Cb -0.34 -1.77 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 1wlo s PRO 3 CO 0.44 -2.68 0.45 -1.00 0.04 0.00 0.00 177.00 174.25 1wlo h PRO 4 N -1.84 -0.31 -1.84 0.56 0.13 -1.95 0.75 132.00 127.50 1wlo h PRO 4 Ca -0.47 0.02 0.53 0.00 -0.87 0.00 0.00 66.00 65.21 1wlo h PRO 4 Cb 1.29 0.07 -0.07 0.00 0.13 0.00 0.00 31.00 32.42 1wlo h PRO 4 CO 0.47 -0.14 1.37 0.87 -0.23 0.00 0.00 178.00 180.34 1wlo h LYS 5 N -1.06 0.00 0.00 0.86 1.57 -1.90 1.53 116.57 117.57 1wlo h LYS 5 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1wlo h LYS 5 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1wlo h LYS 5 CO 0.05 0.00 -0.11 1.25 -0.57 0.00 0.00 179.45 180.07 1wlo h LEU 6 N 0.00 0.00 -1.96 2.94 7.12 -1.66 -3.29 115.31 118.46 1wlo h LEU 6 Ca 0.88 0.00 0.47 0.00 0.13 0.00 0.00 57.88 59.35 1wlo h LEU 6 Cb 3.61 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 43.67 1wlo h LEU 6 CO -0.01 0.22 1.15 0.50 -0.13 0.00 0.00 178.44 180.17 1wlo h LYS 7 N -0.32 0.01 0.59 1.25 1.63 1.00 0.57 116.57 121.28 1wlo h LYS 7 Ca 0.00 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1wlo h LYS 7 Cb 0.11 -0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.75 1wlo h LYS 7 CO 0.00 0.01 -0.28 1.96 -3.45 0.00 0.00 179.45 177.69 1wlo h GLN 8 N 0.01 -0.76 0.01 1.90 1.08 0.19 0.83 115.11 118.38 1wlo h GLN 8 Ca 0.77 0.05 0.02 0.00 -1.45 0.00 0.00 58.65 58.04 1wlo h GLN 8 Cb 3.06 0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 30.64 1wlo h GLN 8 CO -0.03 -0.49 -0.10 0.00 -0.95 0.00 0.00 178.83 177.26 1wlo h ALA 9 N -0.41 -0.12 0.00 3.87 0.00 0.02 1.51 119.26 124.14 1wlo h ALA 9 Ca -0.08 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1wlo h ALA 9 Cb 0.62 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1wlo h ALA 9 CO 0.13 -0.59 -0.22 -0.07 0.00 0.00 0.00 179.25 178.49 1wlo h LEU 10 N -0.18 -0.66 0.18 0.00 3.38 -1.19 1.28 115.31 118.13 1wlo h LEU 10 Ca 0.03 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1wlo h LEU 10 Cb 0.22 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1wlo h LEU 10 CO -0.09 -0.29 -0.09 -0.33 0.09 0.00 0.00 178.44 177.72 1wlo h GLU 11 N -0.35 -0.24 -0.35 1.13 5.08 0.11 0.51 114.58 120.46 1wlo h GLU 11 Ca 0.06 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1wlo h GLU 11 Cb 0.43 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 1wlo h GLU 11 CO -0.20 -0.16 0.04 1.25 -1.00 0.00 0.00 179.01 178.94 1wlo h LEU 12 N -0.25 -0.05 0.36 1.33 5.85 0.25 0.37 115.31 123.18 1wlo h LEU 12 Ca -0.02 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1wlo h LEU 12 Cb 0.20 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1wlo h LEU 12 CO 0.03 0.01 -0.46 0.15 -0.34 0.00 0.00 178.44 177.83 1wlo h PHE 13 N 0.15 -1.29 0.00 1.25 3.57 0.20 1.37 116.94 122.19 1wlo h PHE 13 Ca 0.17 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1wlo h PHE 13 Cb 0.21 0.51 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1wlo h PHE 13 CO -0.21 -0.60 0.00 -0.22 -2.23 0.00 0.00 178.31 175.05 1wlo h LYS 14 N -0.87 0.00 0.02 1.11 3.64 -0.56 0.12 116.57 120.03 1wlo h LYS 14 Ca -0.03 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.08 1wlo h LYS 14 Cb 0.79 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.57 1wlo h LYS 14 CO -0.12 0.00 -1.50 1.03 -2.27 0.00 0.00 179.45 176.59 1wlo h SER 15 N 0.00 0.05 -4.28 4.20 0.87 0.22 -3.47 113.55 111.14 1wlo h SER 15 Ca 0.00 -0.08 -0.51 0.00 -1.23 0.00 0.00 61.79 59.96 1wlo h SER 15 Cb 0.02 -0.02 0.12 0.00 -0.44 0.00 0.00 62.40 62.08 1wlo h SER 15 CO 0.00 1.07 0.34 -0.76 -0.53 0.00 0.00 176.83 176.95 1wlo s LEU 16 N -6.38 3.14 0.19 2.23 1.43 0.45 -4.98 118.68 114.75 1wlo s LEU 16 Ca -0.04 1.86 -0.30 0.00 -1.03 0.00 0.00 54.13 54.62 1wlo s LEU 16 Cb 0.08 -4.53 -0.08 0.00 0.03 0.00 0.00 46.19 41.70 1wlo s LEU 16 CO 0.82 -1.88 1.11 -2.16 0.23 0.00 0.00 176.35 174.48 1wlo s PRO 17 N -4.67 4.59 0.01 1.29 0.04 -1.26 -4.71 135.00 130.28 1wlo s PRO 17 Ca 0.63 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 63.40 1wlo s PRO 17 Cb -0.18 -3.26 -0.00 0.00 0.04 0.00 0.00 34.50 31.10 1wlo s PRO 17 CO 0.52 0.07 0.83 1.17 0.04 0.00 0.00 177.00 179.62 1wlo n LYS 18 N 2.23 -0.02 -0.26 4.56 4.81 -1.26 0.18 118.16 128.40 1wlo n LYS 18 Ca 0.02 0.83 0.16 0.00 -0.87 0.00 0.00 58.31 58.45 1wlo n LYS 18 Cb 0.46 -1.24 0.30 0.00 0.02 0.00 0.00 35.03 34.57 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 -2.91 -0.06 -0.00 1.64 0.28 -1.26 0.17 120.64 118.49 1wlo n GLU 19 Ca 0.00 1.12 -0.13 0.00 -0.16 0.00 0.00 57.16 58.00 1wlo n GLU 19 Cb 0.01 -1.86 -0.10 0.00 1.43 0.00 0.00 31.44 30.93 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 -0.05 -1.30 -1.84 3.38 0.14 -3.14 115.31 112.49 1wlo h LEU 20 Ca 0.53 -0.55 0.43 0.00 0.09 0.00 0.00 57.88 58.38 1wlo h LEU 20 Cb 1.22 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.88 1wlo h LEU 20 CO -0.68 0.56 0.86 0.54 0.09 0.00 0.00 178.44 179.81 1wlo n ARG 21 N -4.83 -0.02 0.25 1.13 1.74 0.44 0.19 116.66 115.55 1wlo n ARG 21 Ca -0.09 1.06 -0.16 0.00 -0.77 0.00 0.00 57.85 57.89 1wlo n ARG 21 Cb 0.30 -2.15 -0.08 0.00 -1.02 0.00 0.00 32.46 29.51 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 -0.48 -0.60 0.55 0.87 -1.20 -1.74 113.55 110.94 1wlo h SER 22 Ca 0.77 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 61.26 1wlo h SER 22 Cb 2.63 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 64.69 1wlo h SER 22 CO -0.32 -0.34 0.04 0.06 -0.53 0.00 0.00 176.83 175.73 1wlo h GLN 23 N -0.57 1.05 -0.13 2.24 3.07 0.19 -3.05 115.11 117.91 1wlo h GLN 23 Ca -0.06 -0.31 0.02 0.00 0.09 0.00 0.00 58.65 58.40 1wlo h GLN 23 Cb 0.44 -0.11 -0.05 0.00 0.08 0.00 0.00 27.48 27.84 1wlo h GLN 23 CO 0.09 1.00 -0.43 0.28 0.09 0.00 0.00 178.83 179.87 1wlo h VAL 24 N 0.97 0.00 -1.02 1.86 2.07 -0.58 1.27 116.25 120.82 1wlo h VAL 24 Ca 0.18 0.00 0.31 0.00 0.82 0.00 0.00 66.70 68.01 1wlo h VAL 24 Cb 0.51 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.14 1wlo h VAL 24 CO 0.02 0.00 0.59 -0.07 0.02 0.00 0.00 177.57 178.13 1wlo h LEU 25 N -0.44 0.54 0.09 2.57 3.38 -1.28 0.44 115.31 120.60 1wlo h LEU 25 Ca 0.03 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1wlo h LEU 25 Cb 0.53 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1wlo h LEU 25 CO -0.35 -0.08 -0.05 -0.07 0.09 0.00 0.00 178.44 177.98 1wlo h LEU 26 N 0.37 -0.11 -0.61 1.67 -0.00 -0.41 -3.17 115.31 113.06 1wlo h LEU 26 Ca 0.71 -0.34 0.12 0.00 -0.00 0.00 0.00 57.88 58.37 1wlo h LEU 26 Cb 1.61 0.03 -0.12 0.00 -0.00 0.00 0.00 40.66 42.18 1wlo h LEU 26 CO -0.56 0.30 -0.18 -0.33 -0.00 0.00 0.00 178.44 177.68 1wlo h GLU 27 N -0.54 -0.02 -0.70 1.13 5.08 0.57 -0.69 114.58 119.41 1wlo h GLU 27 Ca -0.01 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.46 1wlo h GLU 27 Cb 0.44 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.58 1wlo h GLU 27 CO 0.02 -0.02 -0.40 1.88 -1.00 0.00 0.00 179.01 179.49 1wlo h TYR 28 N -0.02 -1.17 -0.59 4.33 -1.99 -0.82 1.25 116.97 117.95 1wlo h TYR 28 Ca 0.29 0.09 0.12 0.00 2.00 0.00 0.00 58.73 61.22 1wlo h TYR 28 Cb 0.47 0.61 -0.03 0.00 2.00 0.00 0.00 36.73 39.77 1wlo h TYR 28 CO -0.52 -0.40 0.40 0.00 -0.00 0.00 0.00 178.16 177.64 1wlo h ALA 29 N 0.89 2.14 0.00 3.88 0.00 -1.13 0.74 119.26 125.78 1wlo h ALA 29 Ca 0.23 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1wlo h ALA 29 Cb 0.56 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1wlo h ALA 29 CO -0.77 -0.29 -0.20 0.00 0.00 0.00 0.00 179.25 177.99 1wlo h ALA 30 N 1.71 1.20 -0.92 0.00 0.00 0.22 -2.33 119.26 119.14 1wlo h ALA 30 Ca 0.28 -0.18 -0.62 0.00 0.00 0.00 0.00 54.91 54.39 1wlo h ALA 30 Cb 0.69 -0.03 -0.27 0.00 0.00 0.00 0.00 17.79 18.18 1wlo h ALA 30 CO -0.07 0.25 0.80 1.63 0.00 0.00 0.00 179.25 181.87 1wlo n LYS 31 N -3.61 2.54 -3.92 0.00 4.01 0.26 -4.80 118.16 112.63 1wlo n LYS 31 Ca -0.01 -3.01 -0.31 0.00 -0.51 0.00 0.00 58.31 54.47 1wlo n LYS 31 Cb 0.33 -2.18 -0.15 0.00 -0.51 0.00 0.00 35.03 32.52 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 -4.41 1.77 0.65 -0.18 1.01 -0.88 -4.90 120.40 113.46 1wlo s VAL 32 Ca 0.59 -1.97 -0.13 0.00 0.00 0.00 0.00 61.98 60.48 1wlo s VAL 32 Cb 0.47 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 1wlo s VAL 32 CO -0.01 -0.59 1.05 -2.16 0.00 0.00 0.00 175.10 173.39 1wlo s PRO 33 N 1.17 3.13 0.60 2.72 0.04 -1.26 -5.04 135.00 136.37 1wlo s PRO 33 Ca 0.09 1.04 -0.15 0.00 0.04 0.00 0.00 61.00 62.03 1wlo s PRO 33 Cb -0.18 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1wlo s PRO 33 CO -0.14 -0.95 1.05 -1.25 0.04 0.00 0.00 177.00 175.76 1wlo s PRO 34 N -4.65 3.32 0.70 0.56 0.04 -1.26 -4.75 135.00 128.95 1wlo s PRO 34 Ca 0.60 1.14 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 1wlo s PRO 34 Cb -0.14 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.37 1wlo s PRO 34 CO 0.47 -0.81 1.06 -1.25 0.04 0.00 0.00 177.00 176.52 1wlo s PRO 35 N -4.24 2.90 0.43 0.56 0.04 -1.26 -5.01 135.00 128.42 1wlo s PRO 35 Ca 0.62 0.94 -0.23 0.00 0.04 0.00 0.00 61.00 62.37 1wlo s PRO 35 Cb -0.15 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1wlo s PRO 35 CO 0.39 -1.12 1.05 -1.25 0.04 0.00 0.00 177.00 176.11 1wlo s PRO 36 N -5.05 4.04 -1.04 0.56 0.04 -1.26 -4.91 135.00 127.38 1wlo s PRO 36 Ca 0.58 1.47 -0.07 0.00 0.04 0.00 0.00 61.00 63.02 1wlo s PRO 36 Cb -0.14 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 31.92 1wlo s PRO 36 CO 0.55 -0.24 2.54 -0.35 0.04 0.00 0.00 177.00 179.53 1wlo n PRO 37 N -0.37 2.59 0.00 0.56 -0.04 -1.26 -3.07 135.00 133.41 1wlo n PRO 37 Ca 0.06 -1.62 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 1wlo n PRO 37 Cb 0.50 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 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 3.52 0.00 2.98 0.55 0.00 -1.26 -5.15 105.19 105.84 1wlo n GLY 38 Ca 0.55 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 -0.02 -0.23 1.61 1.01 -1.18 -5.14 120.40 116.45 1wlo s VAL 39 Ca 0.00 0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 1wlo s VAL 39 Cb 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 1wlo s VAL 39 CO 0.00 0.04 0.36 -0.70 0.00 0.00 0.00 175.10 174.79 1wlo s GLU 40 N 0.62 4.10 0.13 2.72 2.12 -1.26 -4.97 118.70 122.16 1wlo s GLU 40 Ca -0.04 0.08 0.06 0.00 0.36 0.00 0.00 54.97 55.43 1wlo s GLU 40 Cb -0.06 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 1wlo s GLU 40 CO -0.03 -0.12 0.00 -0.51 -0.54 0.00 0.00 175.26 174.06 1wlo s LEU 41 N 1.58 3.40 -0.20 2.70 1.02 -1.26 -4.80 118.68 121.11 1wlo s LEU 41 Ca 0.16 -0.27 -0.06 0.00 0.02 0.00 0.00 54.13 53.98 1wlo s LEU 41 Cb -0.15 -2.10 -0.03 0.00 0.02 0.00 0.00 46.19 43.94 1wlo s LEU 41 CO 0.08 0.14 0.02 -0.70 0.02 0.00 0.00 176.35 175.90 1wlo s GLU 42 N -2.59 3.67 0.55 1.70 2.56 -0.46 -4.80 118.70 119.33 1wlo s GLU 42 Ca 0.26 -0.49 -0.21 0.00 0.00 0.00 0.00 54.97 54.53 1wlo s GLU 42 Cb -0.11 -3.12 -0.05 0.00 2.00 0.00 0.00 34.13 32.86 1wlo s GLU 42 CO 0.18 0.03 1.27 0.50 -0.56 0.00 0.00 175.26 176.68 1wlo s ARG 43 N 0.97 3.16 -0.80 4.30 3.52 -1.26 -1.53 118.95 127.31 1wlo s ARG 43 Ca 0.02 2.01 -0.15 0.00 -0.13 0.00 0.00 55.73 57.48 1wlo s ARG 43 Cb -0.14 -2.15 0.20 0.00 -1.56 0.00 0.00 34.95 31.29 1wlo s ARG 43 CO 0.02 -1.11 0.77 0.08 -0.81 0.00 0.00 175.30 174.26 1wlo s VAL 44 N -1.44 5.47 0.60 7.11 1.01 0.14 -4.86 120.40 128.43 1wlo s VAL 44 Ca 0.73 -2.25 0.32 0.00 0.00 0.00 0.00 61.98 60.77 1wlo s VAL 44 Cb -0.35 -4.49 0.37 0.00 0.00 0.00 0.00 36.38 31.91 1wlo s VAL 44 CO 0.40 -1.06 2.27 0.45 0.00 0.00 0.00 175.10 177.16 1wlo h HIS 45 N 8.03 0.00 0.00 5.22 3.86 -1.87 0.84 115.15 131.23 1wlo h HIS 45 Ca 0.06 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1wlo h HIS 45 Cb 1.05 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.52 1wlo h HIS 45 CO 1.01 0.00 -0.03 1.49 0.86 0.00 0.00 177.93 181.27 1wlo h GLU 46 N 0.00 0.00 0.00 2.45 4.57 -1.89 -0.98 114.58 118.73 1wlo h GLU 46 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1wlo h GLU 46 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1wlo h GLU 46 CO 0.00 0.03 -1.55 0.00 -1.18 0.00 0.00 179.01 176.31 1wlo n GLN 48 N -1.93 0.00 -0.98 0.00 6.02 -0.15 -4.93 117.38 115.42 1wlo n GLN 48 Ca -0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.62 1wlo n GLN 48 Cb 0.43 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.74 1wlo n GLN 48 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1wlo n THR 49 N 0.00 0.00 -1.14 5.09 -2.24 -1.26 -4.65 114.28 110.08 1wlo n THR 49 Ca 0.00 -0.44 -0.34 0.00 -2.27 0.00 0.00 64.05 61.00 1wlo n THR 49 Cb 0.00 -0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 1wlo n THR 49 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1wlo n PRO 50 N 2.03 2.57 -3.67 -0.78 -0.04 -1.26 -4.51 135.00 129.34 1wlo n PRO 50 Ca -0.01 -1.93 -0.39 0.00 -0.04 0.00 0.00 63.50 61.13 1wlo n PRO 50 Cb 0.57 -2.77 -0.11 0.00 -0.04 0.00 0.00 33.50 31.15 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 3.31 3.36 -0.15 0.54 5.36 -1.26 -4.25 117.98 124.88 1wlo s PHE 51 Ca 0.53 -1.68 -0.06 0.00 -0.96 0.00 0.00 56.93 54.76 1wlo s PHE 51 Cb 0.14 -2.85 -0.04 0.00 -0.34 0.00 0.00 43.02 39.93 1wlo s PHE 51 CO -0.02 -0.85 0.04 -0.06 -1.46 0.00 0.00 175.22 172.86 1wlo s PHE 52 N 1.36 3.21 0.16 10.12 0.08 -0.61 0.28 117.98 132.58 1wlo s PHE 52 Ca 0.03 0.05 0.06 0.00 0.12 0.00 0.00 56.93 57.19 1wlo s PHE 52 Cb -0.22 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.19 1wlo s PHE 52 CO 0.01 0.21 -0.14 0.14 -0.10 0.00 0.00 175.22 175.35 1wlo s VAL 53 N 0.04 1.47 -0.19 -0.44 -7.23 -0.58 -0.01 120.40 113.45 1wlo s VAL 53 Ca 0.04 -1.97 -0.05 0.00 -1.81 0.00 0.00 61.98 58.20 1wlo s VAL 53 Cb -0.12 -1.79 0.10 0.00 0.56 0.00 0.00 36.38 35.12 1wlo s VAL 53 CO 0.01 -0.54 0.34 -2.28 -0.31 0.00 0.00 175.10 172.32 1wlo s HIS 54 N -2.66 -0.64 -0.17 2.82 5.04 -0.12 -1.36 115.29 118.20 1wlo s HIS 54 Ca 0.16 0.99 -0.06 0.00 -1.54 0.00 0.00 55.06 54.61 1wlo s HIS 54 Cb -0.02 0.04 -0.04 0.00 0.04 0.00 0.00 32.58 32.60 1wlo s HIS 54 CO 0.04 -0.54 0.02 0.00 -2.34 0.00 0.00 174.74 171.92 1wlo s ALA 55 N 2.50 3.26 0.20 1.58 0.00 -1.26 -2.27 121.76 125.77 1wlo s ALA 55 Ca 0.05 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 51.05 1wlo s ALA 55 Cb -0.14 -1.77 0.03 0.00 0.00 0.00 0.00 23.12 21.25 1wlo s ALA 55 CO -0.12 0.21 0.56 -0.51 0.00 0.00 0.00 175.76 175.89 1wlo s ASP 56 N 0.32 -0.31 -0.06 0.00 1.11 -1.18 -4.44 116.67 112.11 1wlo s ASP 56 Ca 0.01 -0.42 -0.01 0.00 0.18 0.00 0.00 52.55 52.31 1wlo s ASP 56 Cb -0.13 0.60 0.03 0.00 1.07 0.00 0.00 42.92 44.49 1wlo s ASP 56 CO 0.01 -1.08 -0.01 0.54 1.18 0.00 0.00 175.17 175.82 1wlo s VAL 57 N -3.86 0.37 -0.29 -1.27 0.11 -1.26 0.24 120.40 114.44 1wlo s VAL 57 Ca 0.08 0.07 -0.03 0.00 -2.93 0.00 0.00 61.98 59.18 1wlo s VAL 57 Cb -0.02 -0.49 0.04 0.00 -1.53 0.00 0.00 36.38 34.39 1wlo s VAL 57 CO -0.03 0.23 -0.00 -1.61 -3.33 0.00 0.00 175.10 170.36 1wlo s GLU 58 N 1.59 2.59 0.31 1.54 0.41 0.11 -4.87 118.70 120.38 1wlo s GLU 58 Ca -0.01 -1.16 0.00 0.00 -0.41 0.00 0.00 54.97 53.39 1wlo s GLU 58 Cb -0.13 -3.17 0.00 0.00 -1.78 0.00 0.00 34.13 29.05 1wlo s GLU 58 CO -0.03 -0.56 0.00 0.41 -0.49 0.00 0.00 175.26 174.59 1wlo n GLY 59 N 4.67 2.09 0.65 -1.39 0.00 -1.26 -3.39 105.19 106.56 1wlo n GLY 59 Ca -0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.63 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 0.81 3.07 -0.02 0.00 -1.26 -5.12 105.19 102.67 1wlo n GLY 60 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 1wlo n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wlo s LYS 61 N 0.00 0.54 0.15 1.61 -2.85 -1.22 -4.60 119.74 113.38 1wlo s LYS 61 Ca 0.02 -0.86 -0.11 0.00 -1.00 0.00 0.00 55.97 54.02 1wlo s LYS 61 Cb 0.02 -0.17 -0.07 0.00 -2.06 0.00 0.00 37.83 35.56 1wlo s LYS 61 CO -0.01 0.01 0.50 0.08 0.10 0.00 0.00 175.35 176.03 1wlo s VAL 62 N -1.93 4.96 -0.33 1.79 1.01 0.37 -0.72 120.40 125.55 1wlo s VAL 62 Ca -0.06 0.57 0.03 0.00 0.00 0.00 0.00 61.98 62.52 1wlo s VAL 62 Cb -0.06 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.74 1wlo s VAL 62 CO -0.01 0.16 0.03 -0.13 0.00 0.00 0.00 175.10 175.14 1wlo s ARG 63 N -2.23 1.72 0.16 2.72 1.81 0.67 -0.72 118.95 123.09 1wlo s ARG 63 Ca 0.39 -1.74 -0.28 0.00 -1.72 0.00 0.00 55.73 52.38 1wlo s ARG 63 Cb -0.13 -3.17 -0.08 0.00 -0.45 0.00 0.00 34.95 31.12 1wlo s ARG 63 CO 0.20 -0.86 0.88 -0.51 -0.68 0.00 0.00 175.30 174.33 1wlo s LEU 64 N 0.98 4.57 -0.06 2.53 1.43 -1.26 -3.09 118.68 123.78 1wlo s LEU 64 Ca 0.06 1.77 -0.02 0.00 -1.03 0.00 0.00 54.13 54.90 1wlo s LEU 64 Cb -0.20 -3.47 0.04 0.00 0.03 0.00 0.00 46.19 42.59 1wlo s LEU 64 CO -0.07 0.10 0.09 -0.31 0.23 0.00 0.00 176.35 176.40 1wlo s TYR 65 N -0.75 -0.02 -0.02 0.29 2.02 -0.96 -5.01 117.35 112.89 1wlo s TYR 65 Ca 0.41 0.38 0.06 0.00 -0.37 0.00 0.00 57.07 57.55 1wlo s TYR 65 Cb -0.24 -0.40 -0.01 0.00 -0.40 0.00 0.00 41.96 40.90 1wlo s TYR 65 CO 0.29 -0.22 -0.20 -0.06 -1.57 0.00 0.00 175.55 173.79 1wlo s PHE 66 N 2.21 1.88 -0.19 2.71 0.08 -1.26 -0.94 117.98 122.47 1wlo s PHE 66 Ca 0.04 -0.41 -0.02 0.00 0.12 0.00 0.00 56.93 56.67 1wlo s PHE 66 Cb -0.12 -1.22 0.05 0.00 -0.57 0.00 0.00 43.02 41.16 1wlo s PHE 66 CO -0.04 -0.07 0.00 -1.58 -0.10 0.00 0.00 175.22 173.43 1wlo s HIS 67 N -0.37 1.37 -0.15 0.36 2.46 0.98 -4.02 115.29 115.92 1wlo s HIS 67 Ca 0.05 -1.01 -0.04 0.00 0.47 0.00 0.00 55.06 54.53 1wlo s HIS 67 Cb -0.09 -1.16 0.05 0.00 -0.13 0.00 0.00 32.58 31.25 1wlo s HIS 67 CO 0.00 -0.62 0.07 0.54 -2.47 0.00 0.00 174.74 172.26 1wlo s VAL 68 N 1.74 0.07 -0.02 0.89 0.11 -1.26 -1.58 120.40 120.35 1wlo s VAL 68 Ca -0.01 -0.16 -0.04 0.00 -2.93 0.00 0.00 61.98 58.84 1wlo s VAL 68 Cb -0.17 -0.62 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 1wlo s VAL 68 CO -0.07 -0.18 0.31 1.55 -3.33 0.00 0.00 175.10 173.37 1wlo h PRO 69 N 8.38 -0.13 -1.63 1.54 0.13 -2.00 -3.25 132.00 135.04 1wlo h PRO 69 Ca -0.15 0.01 0.49 0.00 -0.87 0.00 0.00 66.00 65.47 1wlo h PRO 69 Cb 1.14 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 1wlo h PRO 69 CO 0.28 -0.09 1.15 -3.47 -0.23 0.00 0.00 178.00 175.64 1wlo n ASP 70 N -3.23 0.04 -1.30 1.44 2.03 -1.26 -4.68 116.55 109.59 1wlo n ASP 70 Ca -0.02 0.95 -0.11 0.00 0.52 0.00 0.00 54.79 56.13 1wlo n ASP 70 Cb 0.05 -0.47 -0.00 0.00 -0.72 0.00 0.00 41.12 39.98 1wlo n ASP 70 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wlo n GLU 71 N -3.85 -1.11 -1.67 -0.67 1.02 -1.23 -4.91 120.64 108.22 1wlo n GLU 71 Ca 0.38 0.52 -0.50 0.00 -0.02 0.00 0.00 57.16 57.54 1wlo n GLU 71 Cb 1.69 -4.60 -0.05 0.00 -0.02 0.00 0.00 31.44 28.45 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 -1.69 0.44 0.89 0.62 0.00 -1.26 -4.81 120.51 114.70 1wlo n ALA 72 Ca -0.12 0.38 0.11 0.00 0.00 0.00 0.00 53.44 53.81 1wlo n ALA 72 Cb 0.59 -2.33 0.51 0.00 0.00 0.00 0.00 19.45 18.22 1wlo n ALA 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1wlo n PRO 73 N 4.90 0.14 -0.02 0.00 -0.04 -1.26 -0.24 135.00 138.47 1wlo n PRO 73 Ca 0.21 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1wlo n PRO 73 Cb 0.24 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.07 1wlo n PRO 73 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wlo n THR 74 N -1.41 0.87 -0.05 0.52 -2.24 -1.26 -2.94 114.28 107.77 1wlo n THR 74 Ca 0.08 -0.68 -0.18 0.00 -2.27 0.00 0.00 64.05 60.99 1wlo n THR 74 Cb 0.22 -0.40 -0.13 0.00 -2.10 0.00 0.00 70.33 67.92 1wlo n THR 74 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1wlo n VAL 75 N -2.64 1.65 -0.06 2.28 0.31 -1.05 -4.29 118.33 114.53 1wlo n VAL 75 Ca -0.15 -0.66 -0.16 0.00 -0.01 0.00 0.00 64.34 63.36 1wlo n VAL 75 Cb 0.85 -1.48 -0.06 0.00 -0.91 0.00 0.00 33.84 32.25 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 0.04 0.78 -0.95 5.55 3.64 -0.81 -3.08 116.57 121.73 1wlo h LYS 76 Ca -0.47 -0.55 0.18 0.00 -1.27 0.00 0.00 60.65 58.54 1wlo h LYS 76 Cb 2.00 0.08 -0.17 0.00 -0.41 0.00 0.00 32.23 33.73 1wlo h LYS 76 CO 0.03 1.17 -0.28 0.00 -2.27 0.00 0.00 179.45 178.10 1wlo n ALA 77 N -2.57 0.13 0.17 5.00 0.00 -1.15 0.03 120.51 122.11 1wlo n ALA 77 Ca -0.06 1.02 -0.14 0.00 0.00 0.00 0.00 53.44 54.26 1wlo n ALA 77 Cb 0.64 -0.57 -0.08 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.37 -0.99 0.00 3.57 -1.74 -2.35 116.94 115.06 1wlo h PHE 78 Ca 0.42 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 62.12 1wlo h PHE 78 Cb 0.66 0.12 -0.19 0.00 2.79 0.00 0.00 35.95 39.33 1wlo h PHE 78 CO -0.76 -0.11 -0.20 0.00 -2.23 0.00 0.00 178.31 175.01 1wlo h ALA 79 N 0.03 0.74 -0.38 2.41 0.00 -0.31 2.36 119.26 124.11 1wlo h ALA 79 Ca -0.04 0.38 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1wlo h ALA 79 Cb 0.44 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1wlo h ALA 79 CO 0.07 -0.41 0.06 0.78 0.00 0.00 0.00 179.25 179.74 1wlo h GLY 80 N 0.00 0.61 1.32 0.00 0.00 -0.80 -1.02 103.07 103.19 1wlo h GLY 80 Ca 0.50 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.44 1wlo h GLY 80 CO -1.01 0.32 0.15 -2.00 0.00 0.00 0.00 176.54 174.00 1wlo h LEU 81 N 0.55 0.80 0.38 3.11 5.85 0.44 1.23 115.31 127.67 1wlo h LEU 81 Ca 0.13 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1wlo h LEU 81 Cb 0.26 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1wlo h LEU 81 CO 0.00 0.77 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.62 1wlo h LEU 82 N 0.83 -0.44 -2.08 2.25 -0.00 0.03 -3.07 115.31 112.83 1wlo h LEU 82 Ca 0.18 -0.12 -0.02 0.00 -0.00 0.00 0.00 57.88 57.92 1wlo h LEU 82 Cb 0.28 0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1wlo h LEU 82 CO -0.00 -0.01 -0.08 -0.09 -0.00 0.00 0.00 178.44 178.25 1wlo h ARG 83 N -0.97 0.00 -0.75 1.13 2.43 -1.11 -2.21 114.38 112.90 1wlo h ARG 83 Ca -0.05 0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.28 1wlo h ARG 83 Cb 0.54 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.97 1wlo h ARG 83 CO 0.09 0.08 0.15 0.93 -1.51 0.00 0.00 179.97 179.71 1wlo h GLU 84 N 0.00 0.23 -1.67 0.20 4.39 0.16 -3.22 114.58 114.67 1wlo h GLU 84 Ca -0.00 -0.01 -0.45 0.00 0.34 0.00 0.00 59.36 59.24 1wlo h GLU 84 Cb 0.25 -0.05 -0.36 0.00 -0.10 0.00 0.00 28.75 28.50 1wlo h GLU 84 CO 0.01 0.15 -1.07 0.41 -1.16 0.00 0.00 179.01 177.35 1wlo n GLY 85 N -1.36 3.04 1.10 -3.84 0.00 -1.01 -4.59 105.19 98.52 1wlo n GLY 85 Ca 0.14 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 0.42 0.00 -4.69 0.99 4.77 -0.87 -3.85 117.00 113.78 1wlo n LEU 86 Ca 0.22 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.76 1wlo n LEU 86 Cb 0.65 0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.93 1wlo n LEU 86 CO 0.18 -0.27 1.45 1.21 -1.33 0.00 0.00 177.39 178.63 1wlo n GLU 87 N -2.05 2.66 0.00 3.23 0.00 -1.22 -0.50 120.64 122.76 1wlo n GLU 87 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 57.16 58.13 1wlo n GLU 87 Cb 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 31.44 28.60 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 4.16 3.21 3.68 8.31 0.00 0.10 -4.97 105.19 119.68 1wlo n GLY 88 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.49 -0.05 0.58 1.61 0.41 0.34 -3.77 118.70 117.34 1wlo s GLU 89 Ca 0.00 0.22 -0.11 0.00 -0.41 0.00 0.00 54.97 54.66 1wlo s GLU 89 Cb 0.00 -1.71 -0.05 0.00 -1.78 0.00 0.00 34.13 30.59 1wlo s GLU 89 CO 0.00 -2.99 0.99 -1.12 -0.49 0.00 0.00 175.26 171.66 1wlo s SER 90 N -3.78 6.31 0.00 -0.19 0.01 -1.26 0.14 113.70 114.93 1wlo s SER 90 Ca 0.67 1.39 0.22 0.00 1.31 0.00 0.00 55.95 59.54 1wlo s SER 90 Cb -0.14 -2.45 0.95 0.00 0.21 0.00 0.00 66.02 64.58 1wlo s SER 90 CO 0.56 -0.78 1.70 -0.81 0.41 0.00 0.00 173.24 174.32 1wlo n PRO 91 N -2.46 0.02 0.02 12.44 -0.04 -1.26 -1.74 135.00 141.98 1wlo n PRO 91 Ca 0.05 0.12 -0.16 0.00 -0.04 0.00 0.00 63.50 63.48 1wlo n PRO 91 Cb 0.54 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 1wlo n PRO 91 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1wlo h GLU 92 N 0.00 0.18 0.06 0.54 4.39 -1.98 -2.93 114.58 114.83 1wlo h GLU 92 Ca 0.00 -0.31 -0.24 0.00 0.34 0.00 0.00 59.36 59.15 1wlo h GLU 92 Cb 0.36 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1wlo h GLU 92 CO 0.00 0.97 -1.11 0.00 -1.16 0.00 0.00 179.01 177.72 1wlo h ALA 93 N 0.50 0.24 -0.10 3.43 0.00 -1.84 -2.84 119.26 118.65 1wlo h ALA 93 Ca -0.31 -0.90 -0.03 0.00 0.00 0.00 0.00 54.91 53.68 1wlo h ALA 93 Cb 2.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 1wlo h ALA 93 CO 0.12 1.13 -0.04 -0.39 0.00 0.00 0.00 179.25 180.06 1wlo h VAL 94 N 0.03 1.31 -0.47 0.00 -1.51 -1.47 -2.82 116.25 111.33 1wlo h VAL 94 Ca -0.07 -1.03 0.02 0.00 -1.23 0.00 0.00 66.70 64.40 1wlo h VAL 94 Cb 1.86 1.79 -0.02 0.00 -2.13 0.00 0.00 31.29 32.78 1wlo h VAL 94 CO 0.16 0.29 0.31 -0.07 -1.23 0.00 0.00 177.57 177.03 1wlo h LEU 95 N -0.14 0.47 -2.48 4.19 3.38 -1.59 0.13 115.31 119.27 1wlo h LEU 95 Ca 0.02 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1wlo h LEU 95 Cb 0.48 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1wlo h LEU 95 CO 0.01 0.33 0.11 -0.33 0.09 0.00 0.00 178.44 178.65 1wlo h GLU 96 N 0.55 0.00 -6.30 1.13 4.39 -1.24 -3.40 114.58 109.71 1wlo h GLU 96 Ca 0.18 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.32 1wlo h GLU 96 Cb 0.06 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1wlo h GLU 96 CO -0.04 0.00 1.16 0.08 -1.16 0.00 0.00 179.01 179.04 1wlo s VAL 97 N -4.44 3.66 0.85 3.13 1.01 0.46 -4.38 120.40 120.69 1wlo s VAL 97 Ca -0.05 0.73 -0.12 0.00 0.00 0.00 0.00 61.98 62.54 1wlo s VAL 97 Cb 0.14 -3.73 0.10 0.00 0.00 0.00 0.00 36.38 32.89 1wlo s VAL 97 CO 0.48 -0.36 1.12 -2.16 0.00 0.00 0.00 175.10 174.18 1wlo s PRO 98 N 4.91 1.66 0.00 2.72 0.04 -1.26 -4.93 135.00 138.14 1wlo s PRO 98 Ca 0.72 0.47 0.23 0.00 0.04 0.00 0.00 61.00 62.47 1wlo s PRO 98 Cb -0.23 -1.88 1.32 0.00 0.04 0.00 0.00 34.50 33.74 1wlo s PRO 98 CO 0.30 -1.88 1.77 -0.35 0.04 0.00 0.00 177.00 176.89 1wlo n PRO 99 N -3.58 0.58 -0.48 0.56 -0.04 -1.26 -2.47 135.00 128.30 1wlo n PRO 99 Ca 0.07 0.03 0.07 0.00 -0.04 0.00 0.00 63.50 63.62 1wlo n PRO 99 Cb 0.58 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.67 1wlo n PRO 99 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wlo n GLY 100 N 0.55 3.99 0.23 0.55 0.00 -1.26 -4.74 105.19 104.51 1wlo n GLY 100 Ca 0.15 -1.03 0.07 0.00 0.00 0.00 0.00 46.02 45.21 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 0.48 0.00 0.17 1.61 -0.00 -1.85 -2.64 116.94 114.71 1wlo h PHE 101 Ca -0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 57.97 57.66 1wlo h PHE 101 Cb 1.15 0.00 0.03 0.00 -0.00 0.00 0.00 35.95 37.14 1wlo h PHE 101 CO 0.31 0.16 -1.22 0.10 -0.00 0.00 0.00 178.31 177.66 1wlo h TYR 102 N 0.00 0.91 -1.71 6.09 -0.00 -1.85 -3.45 116.97 116.96 1wlo h TYR 102 Ca -0.00 -0.61 -0.68 0.00 -0.00 0.00 0.00 58.73 57.43 1wlo h TYR 102 Cb 0.31 -0.06 0.04 0.00 -0.00 0.00 0.00 36.73 37.02 1wlo h TYR 102 CO 0.00 1.46 0.60 0.54 -0.00 0.00 0.00 178.16 180.77 1wlo n ARG 103 N -3.85 1.26 0.00 0.10 1.74 -0.99 -1.55 116.66 113.36 1wlo n ARG 103 Ca -0.15 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1wlo n ARG 103 Cb 0.98 -2.13 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 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 3.03 3.23 2.07 -0.13 0.00 -1.26 -4.93 105.19 107.20 1wlo n GLY 104 Ca 0.20 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 0.19 -3.69 1.61 4.01 -0.60 -4.71 117.16 113.97 1wlo n TYR 105 Ca 0.00 -1.49 -0.21 0.00 -0.16 0.00 0.00 57.90 56.04 1wlo n TYR 105 Cb 0.00 -1.56 -0.03 0.00 -0.31 0.00 0.00 39.34 37.44 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 2.64 -0.23 0.13 2.72 0.00 -1.26 -4.47 105.19 104.71 1wlo n GLY 106 Ca 0.42 0.13 -0.18 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.08 2.90 0.07 0.99 4.77 -1.26 -4.38 117.00 117.01 1wlo n LEU 107 Ca -0.13 -0.10 0.02 0.00 -0.03 0.00 0.00 56.01 55.77 1wlo n LEU 107 Cb 0.35 -0.85 0.37 0.00 -2.33 0.00 0.00 43.42 40.96 1wlo n LEU 107 CO 0.44 0.89 0.95 -0.08 -1.33 0.00 0.00 177.39 178.26 1wlo h GLU 108 N -0.07 0.37 -0.39 3.23 4.81 -1.86 -1.05 114.58 119.62 1wlo h GLU 108 Ca -0.56 -0.07 0.11 0.00 -0.13 0.00 0.00 59.36 58.72 1wlo h GLU 108 Cb 1.83 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 31.14 1wlo h GLU 108 CO -0.11 0.42 0.56 0.93 -0.73 0.00 0.00 179.01 180.08 1wlo h GLU 109 N 0.36 0.00 0.00 1.92 4.39 -1.95 -2.33 114.58 116.97 1wlo h GLU 109 Ca 0.08 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.43 1wlo h GLU 109 Cb 0.28 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.88 1wlo h GLU 109 CO 0.01 0.00 -2.16 1.19 -1.16 0.00 0.00 179.01 176.89 1wlo n PHE 110 N -3.40 0.00 -3.04 4.33 3.72 -0.65 -4.95 117.46 113.47 1wlo n PHE 110 Ca 0.07 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.07 1wlo n PHE 110 Cb 0.72 -0.75 -0.05 0.00 -0.94 0.00 0.00 39.48 38.46 1wlo n PHE 110 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1wlo s PHE 111 N -2.38 3.43 1.00 1.38 0.08 -0.49 -5.04 117.98 115.96 1wlo s PHE 111 Ca -0.29 1.09 -0.12 0.00 0.12 0.00 0.00 56.93 57.73 1wlo s PHE 111 Cb 0.11 -2.86 0.15 0.00 -0.57 0.00 0.00 43.02 39.85 1wlo s PHE 111 CO 0.38 -0.13 0.85 0.25 -0.10 0.00 0.00 175.22 176.47 1wlo n THR 112 N 4.48 0.00 0.34 0.64 -2.24 -1.26 -4.41 114.28 111.83 1wlo n THR 112 Ca 0.00 -0.17 0.14 0.00 -2.27 0.00 0.00 64.05 61.75 1wlo n THR 112 Cb 0.50 -0.88 0.44 0.00 -2.10 0.00 0.00 70.33 68.29 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 -2.02 0.00 0.02 -0.78 0.13 -1.96 -1.77 132.00 125.62 1wlo h PRO 113 Ca -0.48 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 1wlo h PRO 113 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1wlo h PRO 113 CO 0.41 0.00 -0.53 -0.07 -0.23 0.00 0.00 178.00 177.58 1wlo h LEU 114 N 0.00 0.07 -0.81 1.56 -0.00 -2.01 -3.20 115.31 110.93 1wlo h LEU 114 Ca 0.00 -0.85 -0.03 0.00 -0.00 0.00 0.00 57.88 57.00 1wlo h LEU 114 Cb 0.68 -0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 41.28 1wlo h LEU 114 CO 0.00 1.22 0.39 0.03 -0.00 0.00 0.00 178.44 180.08 1wlo h ARG 115 N -0.89 1.16 -0.39 1.13 3.08 -1.92 -2.59 114.38 113.97 1wlo h ARG 115 Ca -0.13 -0.17 0.07 0.00 0.07 0.00 0.00 59.98 59.82 1wlo h ARG 115 Cb 1.20 -0.21 -0.06 0.00 0.08 0.00 0.00 29.97 30.98 1wlo h ARG 115 CO -0.04 0.89 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.67 1wlo h LEU 116 N 1.15 -0.19 -1.76 3.04 3.38 -1.45 0.44 115.31 119.91 1wlo h LEU 116 Ca 0.28 0.09 0.31 0.00 0.09 0.00 0.00 57.88 58.66 1wlo h LEU 116 Cb 0.11 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 1wlo h LEU 116 CO -0.04 -0.06 0.78 0.03 0.09 0.00 0.00 178.44 179.24 1wlo h ARG 117 N 0.09 0.13 0.17 1.13 3.08 -1.45 0.44 114.38 117.96 1wlo h ARG 117 Ca 0.19 -0.01 -0.35 0.00 0.07 0.00 0.00 59.98 59.88 1wlo h ARG 117 Cb 0.28 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1wlo h ARG 117 CO -0.33 0.09 -1.78 0.78 -1.07 0.00 0.00 179.97 177.66 1wlo h GLY 118 N 0.14 0.41 0.97 0.04 0.00 -0.57 -3.29 103.07 100.77 1wlo h GLY 118 Ca 0.57 -1.04 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 1wlo h GLY 118 CO -0.12 0.91 -0.38 1.41 0.00 0.00 0.00 176.54 178.37 1wlo h LEU 119 N 0.10 -0.91 -0.91 3.11 3.38 0.30 -2.53 115.31 117.85 1wlo h LEU 119 Ca -0.35 0.04 0.26 0.00 0.09 0.00 0.00 57.88 57.91 1wlo h LEU 119 Cb 2.08 0.24 -0.15 0.00 0.09 0.00 0.00 40.66 42.93 1wlo h LEU 119 CO 0.16 -0.63 0.27 -0.33 0.09 0.00 0.00 178.44 178.01 1wlo h GLU 120 N -1.02 0.19 -1.04 1.13 4.39 -0.49 0.82 114.58 118.56 1wlo h GLU 120 Ca -0.10 -0.01 0.38 0.00 0.34 0.00 0.00 59.36 59.97 1wlo h GLU 120 Cb 0.79 -0.04 -0.16 0.00 -0.10 0.00 0.00 28.75 29.24 1wlo h GLU 120 CO 0.15 0.13 0.59 0.00 -1.16 0.00 0.00 179.01 178.72 1wlo h ALA 121 N 1.81 2.15 -0.01 3.43 0.00 -1.52 0.40 119.26 125.53 1wlo h ALA 121 Ca 0.59 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.74 1wlo h ALA 121 Cb 1.24 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 1wlo h ALA 121 CO -0.67 -0.84 -0.50 0.00 0.00 0.00 0.00 179.25 177.23 1wlo h ALA 122 N 1.88 -0.92 -0.03 0.00 0.00 0.65 1.50 119.26 122.34 1wlo h ALA 122 Ca 0.80 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.66 1wlo h ALA 122 Cb 2.04 0.93 -0.04 0.00 0.00 0.00 0.00 17.79 20.72 1wlo h ALA 122 CO -0.65 -1.07 -0.20 1.25 0.00 0.00 0.00 179.25 178.57 1wlo h LEU 123 N -0.63 -0.59 -0.47 0.00 5.85 -0.37 0.64 115.31 119.75 1wlo h LEU 123 Ca 0.01 0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.91 1wlo h LEU 123 Cb 0.67 0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.86 1wlo h LEU 123 CO -0.34 -0.26 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.28 1wlo h LEU 124 N -0.30 -0.54 0.49 2.25 3.38 -0.48 0.98 115.31 121.10 1wlo h LEU 124 Ca 0.07 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1wlo h LEU 124 Cb 0.39 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1wlo h LEU 124 CO -0.21 -0.19 -0.24 0.03 0.09 0.00 0.00 178.44 177.93 1wlo h ARG 125 N -0.04 -0.63 -0.74 1.13 3.08 0.30 0.39 114.38 117.86 1wlo h ARG 125 Ca 0.22 0.04 0.14 0.00 0.07 0.00 0.00 59.98 60.45 1wlo h ARG 125 Cb 0.39 0.14 -0.14 0.00 0.08 0.00 0.00 29.97 30.44 1wlo h ARG 125 CO -0.50 -0.42 -0.27 -0.07 -1.07 0.00 0.00 179.97 177.63 1wlo h LEU 126 N -0.67 -0.98 -1.63 3.04 3.38 0.57 1.35 115.31 120.37 1wlo h LEU 126 Ca -0.07 0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1wlo h LEU 126 Cb 0.50 0.55 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1wlo h LEU 126 CO 0.11 -0.28 0.28 1.56 0.09 0.00 0.00 178.44 180.20 1wlo h GLN 127 N -0.06 0.48 0.00 1.13 4.20 0.11 0.37 115.11 121.34 1wlo h GLN 127 Ca 0.32 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1wlo h GLN 127 Cb 0.57 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1wlo h GLN 127 CO -0.78 0.32 0.00 0.00 -0.67 0.00 0.00 178.83 177.70 1wlo h ALA 128 N 1.75 1.00 0.00 3.87 0.00 0.61 -1.38 119.26 125.11 1wlo h ALA 128 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1wlo h ALA 128 Cb 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1wlo h ALA 128 CO -0.04 0.00 -1.73 1.04 0.00 0.00 0.00 179.25 178.52 1wlo n GLN 129 N -2.53 0.64 0.03 0.00 6.02 0.12 -4.24 117.38 117.42 1wlo n GLN 129 Ca 0.01 0.01 -0.19 0.00 -0.01 0.00 0.00 57.00 56.83 1wlo n GLN 129 Cb 0.24 -1.66 -0.12 0.00 1.02 0.00 0.00 30.24 29.73 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 1.40 -0.75 5.09 2.07 -0.35 -3.05 116.25 120.66 1wlo h VAL 130 Ca -0.15 -2.22 0.22 0.00 0.82 0.00 0.00 66.70 65.37 1wlo h VAL 130 Cb 1.40 2.67 -0.03 0.00 -1.52 0.00 0.00 31.29 33.82 1wlo h VAL 130 CO 0.02 0.65 0.88 0.03 0.02 0.00 0.00 177.57 179.17 1wlo h ARG 131 N -0.03 0.00 0.13 1.57 3.08 -1.46 1.37 114.38 119.05 1wlo h ARG 131 Ca -0.11 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.64 1wlo h ARG 131 Cb 1.49 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.54 1wlo h ARG 131 CO 0.15 0.00 -1.57 -0.22 -1.07 0.00 0.00 179.97 177.26 1wlo h LYS 132 N 0.00 0.28 -0.21 0.04 3.11 -1.75 -2.84 116.57 115.20 1wlo h LYS 132 Ca 0.36 -0.48 -0.08 0.00 -2.81 0.00 0.00 60.65 57.64 1wlo h LYS 132 Cb 2.11 0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 33.50 1wlo h LYS 132 CO -0.00 1.23 -0.20 0.00 -2.81 0.00 0.00 179.45 177.66 1wlo h ALA 133 N -0.00 1.27 -0.05 5.00 0.00 0.14 0.80 119.26 126.41 1wlo h ALA 133 Ca -0.33 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1wlo h ALA 133 Cb 1.87 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 1wlo h ALA 133 CO 0.09 0.48 -0.04 1.37 0.00 0.00 0.00 179.25 181.15 1wlo h LEU 134 N 0.34 0.11 0.00 0.00 8.10 0.11 -2.81 115.31 121.16 1wlo h LEU 134 Ca 0.06 -0.46 0.00 0.00 0.11 0.00 0.00 57.88 57.59 1wlo h LEU 134 Cb 0.55 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 40.74 1wlo h LEU 134 CO 0.04 0.55 0.00 1.07 -4.11 0.00 0.00 178.44 175.98 1wlo n THR 135 N -4.78 0.03 -0.66 0.15 5.66 -1.07 -5.09 114.28 108.51 1wlo n THR 135 Ca -0.08 0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1wlo n THR 135 Cb 0.27 -0.52 0.00 0.00 -1.55 0.00 0.00 70.33 68.53 1wlo n THR 135 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78