#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 2.99 0.95 1.12 1.01 -1.26 -3.07 120.40 122.14 1wlo s VAL 2 Ca 0.00 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 1wlo s VAL 2 Cb 0.00 -2.19 0.17 0.00 0.00 0.00 0.00 36.38 34.36 1wlo s VAL 2 CO 0.00 0.53 1.16 -2.16 0.00 0.00 0.00 175.10 174.63 1wlo s PRO 3 N -0.89 0.77 -0.06 2.72 0.04 -1.26 -4.84 135.00 131.48 1wlo s PRO 3 Ca 0.12 0.15 -0.11 0.00 0.04 0.00 0.00 61.00 61.20 1wlo s PRO 3 Cb -0.11 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.56 1wlo s PRO 3 CO 0.02 -2.42 0.44 -1.00 0.04 0.00 0.00 177.00 174.08 1wlo h PRO 4 N -1.66 -0.31 -1.54 0.56 0.13 -1.96 0.12 132.00 127.34 1wlo h PRO 4 Ca -0.49 0.02 0.48 0.00 -0.87 0.00 0.00 66.00 65.14 1wlo h PRO 4 Cb 1.31 0.07 -0.09 0.00 0.13 0.00 0.00 31.00 32.42 1wlo h PRO 4 CO 0.55 -0.15 1.07 1.63 -0.23 0.00 0.00 178.00 180.87 1wlo n LYS 5 N -4.99 -0.01 -0.04 0.86 4.76 -1.26 0.20 118.16 117.68 1wlo n LYS 5 Ca -0.05 1.03 -0.02 0.00 -2.87 0.00 0.00 58.31 56.40 1wlo n LYS 5 Cb 0.15 -2.21 -0.01 0.00 -1.84 0.00 0.00 35.03 31.12 1wlo n LYS 5 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1wlo h LEU 6 N 0.00 0.00 -2.00 -0.35 7.12 -1.66 -3.27 115.31 115.15 1wlo h LEU 6 Ca 0.82 0.00 0.47 0.00 0.13 0.00 0.00 57.88 59.30 1wlo h LEU 6 Cb 3.01 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 43.08 1wlo h LEU 6 CO -0.18 0.43 1.18 0.50 -0.13 0.00 0.00 178.44 180.23 1wlo h LYS 7 N -0.62 0.00 0.26 1.25 1.63 0.20 0.79 116.57 120.09 1wlo h LYS 7 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1wlo h LYS 7 Cb 0.24 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1wlo h LYS 7 CO 0.00 0.00 -0.12 1.96 -3.45 0.00 0.00 179.45 177.84 1wlo h GLN 8 N 0.00 -0.33 0.61 1.90 1.08 0.22 0.38 115.11 118.97 1wlo h GLN 8 Ca 0.78 0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.97 1wlo h GLN 8 Cb 3.13 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 30.63 1wlo h GLN 8 CO -0.01 -0.05 -0.36 0.00 -0.95 0.00 0.00 178.83 177.46 1wlo h ALA 9 N 0.07 -0.92 -0.42 3.87 0.00 0.50 1.54 119.26 123.90 1wlo h ALA 9 Ca -0.04 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.76 1wlo h ALA 9 Cb 0.43 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 18.56 1wlo h ALA 9 CO 0.06 -1.03 -0.44 -0.07 0.00 0.00 0.00 179.25 177.77 1wlo h LEU 10 N -0.91 -1.45 0.57 0.00 3.38 -1.21 1.50 115.31 117.19 1wlo h LEU 10 Ca -0.08 0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1wlo h LEU 10 Cb 0.73 0.64 0.01 0.00 0.09 0.00 0.00 40.66 42.12 1wlo h LEU 10 CO 0.09 -0.37 -0.27 -0.33 0.09 0.00 0.00 178.44 177.65 1wlo h GLU 11 N -0.32 -0.73 -0.09 1.13 5.08 -0.72 -1.32 114.58 117.61 1wlo h GLU 11 Ca 0.14 0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1wlo h GLU 11 Cb 0.58 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 1wlo h GLU 11 CO -0.59 -0.48 -0.44 1.25 -1.00 0.00 0.00 179.01 177.75 1wlo h LEU 12 N -0.77 -1.39 -0.57 1.33 6.46 0.30 0.52 115.31 121.18 1wlo h LEU 12 Ca -0.08 0.16 0.06 0.00 -0.12 0.00 0.00 57.88 57.90 1wlo h LEU 12 Cb 0.59 0.54 -0.08 0.00 -0.73 0.00 0.00 40.66 40.98 1wlo h LEU 12 CO 0.13 -0.40 -0.46 0.15 -0.62 0.00 0.00 178.44 177.24 1wlo h PHE 13 N -0.49 -1.43 -0.12 1.25 3.57 0.21 1.79 116.94 121.73 1wlo h PHE 13 Ca 0.02 0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.64 1wlo h PHE 13 Cb 0.56 0.70 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 1wlo h PHE 13 CO -0.55 -0.34 0.22 -0.22 -2.23 0.00 0.00 178.31 175.19 1wlo h LYS 14 N -0.15 0.00 -0.00 1.11 3.64 -0.76 1.42 116.57 121.83 1wlo h LYS 14 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1wlo h LYS 14 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1wlo h LYS 14 CO -0.62 0.00 -0.24 0.45 -2.27 0.00 0.00 179.45 176.77 1wlo n SER 15 N -3.41 0.53 -4.93 4.20 2.88 0.56 -4.87 113.62 108.58 1wlo n SER 15 Ca 0.00 -0.38 -0.25 0.00 -1.33 0.00 0.00 58.87 56.92 1wlo n SER 15 Cb 0.31 0.01 -0.01 0.00 -0.75 0.00 0.00 64.21 63.77 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 -2.72 3.90 0.01 2.46 1.43 0.49 -5.02 118.68 119.22 1wlo s LEU 16 Ca 0.20 0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 53.55 1wlo s LEU 16 Cb 0.19 -3.44 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 1wlo s LEU 16 CO 0.56 -0.39 1.19 -2.16 0.23 0.00 0.00 176.35 175.78 1wlo s PRO 17 N -4.44 4.41 0.03 1.29 0.04 -1.26 -4.75 135.00 130.32 1wlo s PRO 17 Ca 0.42 1.71 -0.05 0.00 0.04 0.00 0.00 61.00 63.12 1wlo s PRO 17 Cb -0.10 -3.45 -0.01 0.00 0.04 0.00 0.00 34.50 30.98 1wlo s PRO 17 CO 0.38 -0.33 0.66 1.17 0.04 0.00 0.00 177.00 178.93 1wlo n LYS 18 N 4.49 -0.07 -0.28 4.56 4.81 -1.26 0.25 118.16 130.65 1wlo n LYS 18 Ca 0.10 0.66 0.06 0.00 -0.87 0.00 0.00 58.31 58.26 1wlo n LYS 18 Cb 0.47 -0.98 0.14 0.00 0.02 0.00 0.00 35.03 34.68 1wlo n LYS 18 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1wlo n GLU 19 N -3.20 -0.07 -0.00 1.64 0.28 -1.26 0.14 120.64 118.17 1wlo n GLU 19 Ca 0.00 1.23 -0.13 0.00 -0.16 0.00 0.00 57.16 58.11 1wlo n GLU 19 Cb 0.04 -1.87 -0.10 0.00 1.43 0.00 0.00 31.44 30.95 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 -0.01 -1.86 -1.84 3.38 0.29 -2.76 115.31 112.51 1wlo h LEU 20 Ca 0.41 -0.42 0.28 0.00 0.09 0.00 0.00 57.88 58.24 1wlo h LEU 20 Cb 0.68 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1wlo h LEU 20 CO -0.80 0.42 0.81 0.03 0.09 0.00 0.00 178.44 178.98 1wlo h ARG 21 N -0.44 0.00 -0.16 1.13 3.08 0.72 1.69 114.38 120.40 1wlo h ARG 21 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1wlo h ARG 21 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1wlo h ARG 21 CO 0.00 0.00 -0.39 1.03 -1.07 0.00 0.00 179.97 179.55 1wlo h SER 22 N 0.00 0.36 0.29 7.04 0.87 -0.01 -2.43 113.55 119.67 1wlo h SER 22 Ca 0.46 -0.15 -0.33 0.00 -1.23 0.00 0.00 61.79 60.54 1wlo h SER 22 Cb 2.08 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.91 1wlo h SER 22 CO -0.00 0.71 -1.84 0.06 -0.53 0.00 0.00 176.83 175.23 1wlo h GLN 23 N 0.29 0.19 -0.14 2.24 3.07 0.22 -3.32 115.11 117.66 1wlo h GLN 23 Ca 0.03 -0.32 0.05 0.00 0.09 0.00 0.00 58.65 58.50 1wlo h GLN 23 Cb 0.81 0.12 -0.06 0.00 0.08 0.00 0.00 27.48 28.43 1wlo h GLN 23 CO 0.06 0.98 -0.23 0.28 0.09 0.00 0.00 178.83 180.01 1wlo h VAL 24 N 0.05 0.43 -0.93 1.86 2.07 0.17 0.37 116.25 120.28 1wlo h VAL 24 Ca -0.35 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.31 1wlo h VAL 24 Cb 2.03 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 32.15 1wlo h VAL 24 CO 0.10 0.00 0.59 -0.07 0.02 0.00 0.00 177.57 178.21 1wlo h LEU 25 N -0.29 0.72 0.47 2.57 3.38 -1.60 -0.03 115.31 120.53 1wlo h LEU 25 Ca 0.10 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1wlo h LEU 25 Cb 0.45 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1wlo h LEU 25 CO -0.30 0.36 -0.23 -0.07 0.09 0.00 0.00 178.44 178.29 1wlo h LEU 26 N 0.76 -0.54 -0.53 1.67 -0.00 -0.92 -2.87 115.31 112.88 1wlo h LEU 26 Ca 0.47 -0.07 0.10 0.00 -0.00 0.00 0.00 57.88 58.39 1wlo h LEU 26 Cb 0.70 0.14 -0.11 0.00 -0.00 0.00 0.00 40.66 41.39 1wlo h LEU 26 CO -0.23 -0.24 -0.23 -0.33 -0.00 0.00 0.00 178.44 177.41 1wlo h GLU 27 N -0.84 -0.10 -0.74 1.13 5.08 0.68 0.33 114.58 120.11 1wlo h GLU 27 Ca -0.06 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.44 1wlo h GLU 27 Cb 0.57 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 29.71 1wlo h GLU 27 CO 0.11 -0.07 -0.29 1.88 -1.00 0.00 0.00 179.01 179.64 1wlo h TYR 28 N -0.10 -0.76 -0.20 4.33 -1.99 -0.98 1.20 116.97 118.47 1wlo h TYR 28 Ca 0.24 0.08 -0.04 0.00 2.00 0.00 0.00 58.73 61.01 1wlo h TYR 28 Cb 0.48 0.45 -0.01 0.00 2.00 0.00 0.00 36.73 39.65 1wlo h TYR 28 CO -0.52 -0.37 -0.05 0.00 -0.00 0.00 0.00 178.16 177.21 1wlo h ALA 29 N 1.37 1.54 0.00 3.88 0.00 -0.89 0.53 119.26 125.69 1wlo h ALA 29 Ca 0.31 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1wlo h ALA 29 Cb 0.57 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1wlo h ALA 29 CO -0.79 0.33 -0.18 0.00 0.00 0.00 0.00 179.25 178.62 1wlo h ALA 30 N 1.66 1.15 0.07 0.00 0.00 0.32 -2.42 119.26 120.04 1wlo h ALA 30 Ca 0.06 -0.16 -0.30 0.00 0.00 0.00 0.00 54.91 54.52 1wlo h ALA 30 Cb 0.29 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1wlo h ALA 30 CO 0.01 0.22 -1.56 0.87 0.00 0.00 0.00 179.25 178.79 1wlo h LYS 31 N 0.00 0.16 -5.16 0.00 6.56 0.16 -3.45 116.57 114.83 1wlo h LYS 31 Ca -0.00 -0.27 -0.53 0.00 -1.06 0.00 0.00 60.65 58.79 1wlo h LYS 31 Cb 0.53 0.10 -0.08 0.00 -0.57 0.00 0.00 32.23 32.21 1wlo h LYS 31 CO 0.02 0.95 1.70 0.28 -2.06 0.00 0.00 179.45 180.34 1wlo n VAL 32 N -3.34 -0.00 -1.88 0.50 0.31 -0.02 -4.85 118.33 109.05 1wlo n VAL 32 Ca -0.16 -0.05 -0.32 0.00 -0.01 0.00 0.00 64.34 63.80 1wlo n VAL 32 Cb 1.03 -0.65 0.02 0.00 -0.91 0.00 0.00 33.84 33.34 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 8.58 3.21 0.53 5.55 0.04 -1.26 -5.02 135.00 146.63 1wlo s PRO 33 Ca 1.32 1.09 -0.18 0.00 0.04 0.00 0.00 61.00 63.26 1wlo s PRO 33 Cb -1.22 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 31.23 1wlo s PRO 33 CO 0.50 -0.89 1.04 -1.25 0.04 0.00 0.00 177.00 176.44 1wlo s PRO 34 N -4.47 3.63 0.61 0.56 0.04 -1.26 -4.52 135.00 129.59 1wlo s PRO 34 Ca 0.61 1.28 -0.15 0.00 0.04 0.00 0.00 61.00 62.78 1wlo s PRO 34 Cb -0.15 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 1wlo s PRO 34 CO 0.44 -0.57 1.05 -1.25 0.04 0.00 0.00 177.00 176.71 1wlo s PRO 35 N -3.61 3.31 0.72 0.56 0.04 -1.25 -4.95 135.00 129.81 1wlo s PRO 35 Ca 0.65 1.12 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1wlo s PRO 35 Cb -0.16 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.37 1wlo s PRO 35 CO 0.27 -0.81 1.07 -1.25 0.04 0.00 0.00 177.00 176.31 1wlo s PRO 36 N -4.29 2.75 0.01 0.56 0.04 -1.26 -5.00 135.00 127.82 1wlo s PRO 36 Ca 0.62 0.89 -0.30 0.00 0.04 0.00 0.00 61.00 62.24 1wlo s PRO 36 Cb -0.15 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1wlo s PRO 36 CO 0.40 -1.21 1.18 -1.25 0.04 0.00 0.00 177.00 176.16 1wlo s PRO 37 N -5.07 4.41 0.00 0.56 0.04 -1.26 -3.06 135.00 130.62 1wlo s PRO 37 Ca 0.59 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.33 1wlo s PRO 37 Cb -0.14 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1wlo s PRO 37 CO 0.55 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.69 1wlo n GLY 38 N 3.25 1.96 3.74 0.56 0.00 -1.26 -5.06 105.19 108.38 1wlo n GLY 38 Ca 0.09 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.71 2.47 -0.18 1.61 1.01 -1.17 -4.99 120.40 117.43 1wlo s VAL 39 Ca 0.00 0.38 -0.08 0.00 0.00 0.00 0.00 61.98 62.28 1wlo s VAL 39 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1wlo s VAL 39 CO 0.00 0.06 0.09 -0.70 0.00 0.00 0.00 175.10 174.54 1wlo s GLU 40 N -0.15 4.01 0.14 2.72 2.12 -1.26 -4.96 118.70 121.33 1wlo s GLU 40 Ca 0.62 -0.29 0.09 0.00 0.36 0.00 0.00 54.97 55.75 1wlo s GLU 40 Cb -0.44 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 1wlo s GLU 40 CO 0.43 0.31 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.82 1wlo s LEU 41 N 0.28 2.89 -0.12 2.70 1.02 -1.26 -4.63 118.68 119.56 1wlo s LEU 41 Ca 0.05 -0.54 -0.02 0.00 0.02 0.00 0.00 54.13 53.65 1wlo s LEU 41 Cb -0.12 -1.65 -0.03 0.00 0.02 0.00 0.00 46.19 44.42 1wlo s LEU 41 CO -0.00 0.14 -0.06 -0.70 0.02 0.00 0.00 176.35 175.75 1wlo s GLU 42 N -2.47 3.28 0.26 1.70 2.56 -0.02 -4.76 118.70 119.25 1wlo s GLU 42 Ca 0.22 -0.54 -0.29 0.00 0.00 0.00 0.00 54.97 54.35 1wlo s GLU 42 Cb -0.10 -2.76 -0.09 0.00 2.00 0.00 0.00 34.13 33.18 1wlo s GLU 42 CO 0.13 0.42 1.19 0.50 -0.56 0.00 0.00 175.26 176.94 1wlo s ARG 43 N -0.13 4.51 -0.73 4.30 3.52 -1.26 -2.53 118.95 126.63 1wlo s ARG 43 Ca 0.02 1.95 -0.17 0.00 -0.13 0.00 0.00 55.73 57.40 1wlo s ARG 43 Cb -0.13 -3.17 0.15 0.00 -1.56 0.00 0.00 34.95 30.24 1wlo s ARG 43 CO 0.03 -0.00 0.79 0.08 -0.81 0.00 0.00 175.30 175.38 1wlo s VAL 44 N -0.79 5.10 0.44 7.11 1.01 0.62 -4.86 120.40 129.02 1wlo s VAL 44 Ca 0.49 -1.63 0.14 0.00 0.00 0.00 0.00 61.98 60.97 1wlo s VAL 44 Cb -0.35 -4.52 0.18 0.00 0.00 0.00 0.00 36.38 31.69 1wlo s VAL 44 CO 0.43 -1.14 1.98 0.45 0.00 0.00 0.00 175.10 176.81 1wlo h HIS 45 N 8.64 0.03 0.00 5.22 3.86 -1.88 -0.62 115.15 130.40 1wlo h HIS 45 Ca -0.08 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1wlo h HIS 45 Cb 1.06 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.52 1wlo h HIS 45 CO 0.95 0.21 0.02 1.49 0.86 0.00 0.00 177.93 181.46 1wlo h GLU 46 N 0.03 0.00 0.00 2.45 4.81 -1.90 0.34 114.58 120.30 1wlo h GLU 46 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1wlo h GLU 46 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1wlo h GLU 46 CO 0.02 0.00 -1.48 0.00 -0.73 0.00 0.00 179.01 176.82 1wlo n GLN 48 N -1.88 0.00 -0.76 0.00 6.02 0.12 -4.93 117.38 115.95 1wlo n GLN 48 Ca -0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.65 1wlo n GLN 48 Cb 0.33 0.00 0.14 0.00 1.02 0.00 0.00 30.24 31.73 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 -1.08 5.09 -2.24 -1.26 -4.76 114.28 110.03 1wlo n THR 49 Ca 0.00 -0.19 -0.32 0.00 -2.27 0.00 0.00 64.05 61.27 1wlo n THR 49 Cb 0.00 -0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 67.54 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 -2.11 2.65 -3.42 -0.78 -0.04 -1.26 -4.55 135.00 125.48 1wlo n PRO 50 Ca 0.06 -1.87 -0.44 0.00 -0.04 0.00 0.00 63.50 61.22 1wlo n PRO 50 Cb 0.55 -2.71 -0.09 0.00 -0.04 0.00 0.00 33.50 31.21 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 3.15 3.24 0.22 0.54 5.36 -1.26 -4.19 117.98 125.03 1wlo s PHE 51 Ca 0.53 -0.75 0.07 0.00 -0.96 0.00 0.00 56.93 55.81 1wlo s PHE 51 Cb 0.14 -2.90 -0.04 0.00 -0.34 0.00 0.00 43.02 39.88 1wlo s PHE 51 CO -0.03 -0.70 0.12 -0.06 -1.46 0.00 0.00 175.22 173.09 1wlo s PHE 52 N 1.68 3.03 0.31 10.12 0.08 -0.40 -0.28 117.98 132.53 1wlo s PHE 52 Ca 0.05 -0.10 -0.17 0.00 0.12 0.00 0.00 56.93 56.83 1wlo s PHE 52 Cb -0.22 -1.40 0.03 0.00 -0.57 0.00 0.00 43.02 40.86 1wlo s PHE 52 CO 0.08 0.53 0.68 0.54 -0.10 0.00 0.00 175.22 176.96 1wlo s VAL 53 N -2.00 0.00 -0.30 -0.44 0.11 -1.05 -1.39 120.40 115.33 1wlo s VAL 53 Ca 0.31 -1.11 -0.08 0.00 -2.93 0.00 0.00 61.98 58.17 1wlo s VAL 53 Cb -0.08 -2.35 0.17 0.00 -1.53 0.00 0.00 36.38 32.59 1wlo s VAL 53 CO 0.23 0.00 0.77 -2.28 -3.33 0.00 0.00 175.10 170.49 1wlo s HIS 54 N -3.38 -1.17 -0.10 1.54 2.46 -0.46 -0.84 115.29 113.35 1wlo s HIS 54 Ca 0.16 1.50 -0.06 0.00 0.47 0.00 0.00 55.06 57.12 1wlo s HIS 54 Cb -0.04 0.51 -0.04 0.00 -0.13 0.00 0.00 32.58 32.87 1wlo s HIS 54 CO 0.10 -0.62 0.14 0.00 -2.47 0.00 0.00 174.74 171.89 1wlo s ALA 55 N 2.82 3.87 0.11 1.58 0.00 -1.26 -2.66 121.76 126.21 1wlo s ALA 55 Ca 0.07 -0.67 -0.26 0.00 0.00 0.00 0.00 51.96 51.10 1wlo s ALA 55 Cb -0.12 -1.93 0.07 0.00 0.00 0.00 0.00 23.12 21.15 1wlo s ALA 55 CO -0.18 0.65 0.88 -0.51 0.00 0.00 0.00 175.76 176.60 1wlo s ASP 56 N -1.21 -0.29 -0.06 0.00 1.01 -1.14 -4.46 116.67 110.51 1wlo s ASP 56 Ca 0.17 -0.23 -0.01 0.00 0.71 0.00 0.00 52.55 53.19 1wlo s ASP 56 Cb -0.12 0.48 0.03 0.00 1.01 0.00 0.00 42.92 44.32 1wlo s ASP 56 CO 0.07 -0.84 0.01 0.54 0.21 0.00 0.00 175.17 175.16 1wlo s VAL 57 N -3.32 0.31 -0.36 -1.27 0.11 -1.26 0.26 120.40 114.87 1wlo s VAL 57 Ca 0.08 0.15 -0.00 0.00 -2.93 0.00 0.00 61.98 59.28 1wlo s VAL 57 Cb -0.02 -0.47 0.09 0.00 -1.53 0.00 0.00 36.38 34.46 1wlo s VAL 57 CO -0.03 0.24 0.11 -1.61 -3.33 0.00 0.00 175.10 170.48 1wlo s GLU 58 N 1.87 1.94 0.02 1.54 2.02 -0.40 -4.86 118.70 120.82 1wlo s GLU 58 Ca 0.03 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.31 1wlo s GLU 58 Cb -0.12 -3.36 0.00 0.00 0.10 0.00 0.00 34.13 30.74 1wlo s GLU 58 CO -0.04 -0.92 0.00 0.41 0.02 0.00 0.00 175.26 174.72 1wlo n GLY 59 N 4.49 1.92 0.67 -1.39 0.00 -1.26 -3.96 105.19 105.67 1wlo n GLY 59 Ca -0.03 -0.55 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 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 0.82 2.90 -0.02 0.00 -1.26 -5.11 105.19 102.52 1wlo n GLY 60 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 0.07 -0.14 1.61 -2.85 -1.25 -4.59 119.74 112.59 1wlo s LYS 61 Ca 0.01 -0.10 -0.21 0.00 -1.00 0.00 0.00 55.97 54.67 1wlo s LYS 61 Cb 0.01 0.03 -0.03 0.00 -2.06 0.00 0.00 37.83 35.78 1wlo s LYS 61 CO -0.01 -0.01 0.62 0.14 0.10 0.00 0.00 175.35 176.19 1wlo s VAL 62 N -0.28 5.07 -0.33 1.79 -7.23 0.15 -1.28 120.40 118.29 1wlo s VAL 62 Ca -0.03 1.21 -0.18 0.00 -1.81 0.00 0.00 61.98 61.18 1wlo s VAL 62 Cb -0.02 -3.94 -0.01 0.00 0.56 0.00 0.00 36.38 32.97 1wlo s VAL 62 CO -0.00 0.21 0.49 -0.13 -0.31 0.00 0.00 175.10 175.35 1wlo s ARG 63 N 1.26 3.69 -0.09 4.82 1.81 0.72 -1.59 118.95 129.56 1wlo s ARG 63 Ca 0.31 -0.12 -0.18 0.00 -1.72 0.00 0.00 55.73 54.02 1wlo s ARG 63 Cb -0.16 -3.78 -0.05 0.00 -0.45 0.00 0.00 34.95 30.51 1wlo s ARG 63 CO 0.13 -0.58 0.46 -0.51 -0.68 0.00 0.00 175.30 174.12 1wlo s LEU 64 N 2.33 4.31 -0.06 2.53 1.43 -1.26 -2.88 118.68 125.08 1wlo s LEU 64 Ca 0.18 0.84 -0.00 0.00 -1.03 0.00 0.00 54.13 54.12 1wlo s LEU 64 Cb -0.16 -2.67 0.03 0.00 0.03 0.00 0.00 46.19 43.42 1wlo s LEU 64 CO 0.12 0.07 -0.02 -0.31 0.23 0.00 0.00 176.35 176.44 1wlo s TYR 65 N 0.29 0.73 0.10 0.29 2.02 -1.09 -5.00 117.35 114.69 1wlo s TYR 65 Ca 0.25 -0.21 0.09 0.00 -0.37 0.00 0.00 57.07 56.83 1wlo s TYR 65 Cb -0.15 -0.77 -0.03 0.00 -0.40 0.00 0.00 41.96 40.60 1wlo s TYR 65 CO 0.11 -0.29 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.51 1wlo s PHE 66 N 1.59 1.93 -0.19 2.71 0.08 -1.26 -1.35 117.98 121.48 1wlo s PHE 66 Ca -0.01 -0.40 -0.04 0.00 0.12 0.00 0.00 56.93 56.60 1wlo s PHE 66 Cb -0.13 -1.07 0.09 0.00 -0.57 0.00 0.00 43.02 41.34 1wlo s PHE 66 CO -0.04 0.22 0.26 -1.58 -0.10 0.00 0.00 175.22 173.97 1wlo s HIS 67 N -1.07 -0.40 -0.11 0.36 5.65 -0.49 -3.88 115.29 115.35 1wlo s HIS 67 Ca 0.08 0.51 -0.03 0.00 0.25 0.00 0.00 55.06 55.87 1wlo s HIS 67 Cb -0.10 -0.22 0.04 0.00 -1.18 0.00 0.00 32.58 31.12 1wlo s HIS 67 CO 0.04 -0.56 0.05 0.54 -0.65 0.00 0.00 174.74 174.17 1wlo s VAL 68 N 2.38 0.11 -0.05 0.89 0.11 -1.26 -1.27 120.40 121.32 1wlo s VAL 68 Ca 0.06 0.05 -0.08 0.00 -2.93 0.00 0.00 61.98 59.08 1wlo s VAL 68 Cb -0.15 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.17 1wlo s VAL 68 CO -0.12 0.02 0.37 1.55 -3.33 0.00 0.00 175.10 173.59 1wlo h PRO 69 N 8.38 -0.27 -1.77 1.54 0.13 -2.01 -3.22 132.00 134.78 1wlo h PRO 69 Ca -0.15 0.02 0.51 0.00 -0.87 0.00 0.00 66.00 65.51 1wlo h PRO 69 Cb 1.13 0.06 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 1wlo h PRO 69 CO 0.24 -0.18 1.35 -3.47 -0.23 0.00 0.00 178.00 175.71 1wlo n ASP 70 N -4.42 0.00 -3.32 1.44 2.03 -1.26 -4.72 116.55 106.30 1wlo n ASP 70 Ca -0.03 0.92 -0.18 0.00 0.52 0.00 0.00 54.79 56.02 1wlo n ASP 70 Cb 0.11 -0.44 0.08 0.00 -0.72 0.00 0.00 41.12 40.15 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 -3.74 -6.56 -2.56 -0.67 1.02 -1.22 -4.94 120.64 101.97 1wlo n GLU 71 Ca 0.40 0.79 -0.42 0.00 -0.02 0.00 0.00 57.16 57.91 1wlo n GLU 71 Cb 1.88 -5.67 -0.03 0.00 -0.02 0.00 0.00 31.44 27.60 1wlo n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wlo s ALA 72 N -3.33 3.34 -1.35 0.62 0.00 -1.26 -4.90 121.76 114.88 1wlo s ALA 72 Ca 0.14 0.63 0.22 0.00 0.00 0.00 0.00 51.96 52.96 1wlo s ALA 72 Cb -0.06 -3.42 1.10 0.00 0.00 0.00 0.00 23.12 20.74 1wlo s ALA 72 CO 0.69 -0.46 1.73 -0.35 0.00 0.00 0.00 175.76 177.37 1wlo n PRO 73 N 4.33 0.26 -0.04 0.00 -0.04 -1.26 0.07 135.00 138.32 1wlo n PRO 73 Ca 0.08 0.08 -0.13 0.00 -0.04 0.00 0.00 63.50 63.50 1wlo n PRO 73 Cb 0.48 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.33 1.61 -0.07 0.52 -2.24 -1.26 -3.01 114.28 108.50 1wlo n THR 74 Ca 0.10 -0.76 -0.22 0.00 -2.27 0.00 0.00 64.05 60.90 1wlo n THR 74 Cb 0.19 -1.14 -0.12 0.00 -2.10 0.00 0.00 70.33 67.16 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 -3.12 1.62 -0.22 2.28 0.31 -1.10 -4.19 118.33 113.91 1wlo n VAL 75 Ca -0.25 -0.35 -0.07 0.00 -0.01 0.00 0.00 64.34 63.65 1wlo n VAL 75 Cb 1.06 -1.85 0.04 0.00 -0.91 0.00 0.00 33.84 32.18 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 -0.51 0.91 -0.28 5.55 3.64 -0.58 -3.11 116.57 122.18 1wlo h LYS 76 Ca -0.44 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 58.82 1wlo h LYS 76 Cb 1.67 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 33.29 1wlo h LYS 76 CO -0.12 0.74 -0.16 0.00 -2.27 0.00 0.00 179.45 177.64 1wlo n ALA 77 N -2.35 -0.18 -0.31 5.00 0.00 -1.16 0.37 120.51 121.88 1wlo n ALA 77 Ca 0.04 0.24 0.12 0.00 0.00 0.00 0.00 53.44 53.84 1wlo n ALA 77 Cb 0.14 0.32 0.26 0.00 0.00 0.00 0.00 19.45 20.16 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 0.08 -0.46 0.00 3.57 -1.71 0.25 116.94 118.67 1wlo h PHE 78 Ca 0.04 0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.68 1wlo h PHE 78 Cb 0.11 0.11 -0.10 0.00 2.79 0.00 0.00 35.95 38.87 1wlo h PHE 78 CO -0.96 -0.32 -0.40 0.00 -2.23 0.00 0.00 178.31 174.40 1wlo h ALA 79 N 1.85 -0.32 -0.99 2.41 0.00 -0.02 0.76 119.26 122.95 1wlo h ALA 79 Ca 0.54 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.58 1wlo h ALA 79 Cb 1.07 0.86 -0.06 0.00 0.00 0.00 0.00 17.79 19.66 1wlo h ALA 79 CO -0.77 -0.81 0.65 0.78 0.00 0.00 0.00 179.25 179.09 1wlo h GLY 80 N -0.28 1.47 1.01 0.00 0.00 0.40 0.19 103.07 105.86 1wlo h GLY 80 Ca 0.16 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1wlo h GLY 80 CO -0.60 0.40 0.40 -2.00 0.00 0.00 0.00 176.54 174.74 1wlo h LEU 81 N 1.23 0.90 0.73 3.11 6.46 0.65 1.68 115.31 130.06 1wlo h LEU 81 Ca 0.40 -0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 58.03 1wlo h LEU 81 Cb 0.04 -0.23 0.01 0.00 -0.73 0.00 0.00 40.66 39.75 1wlo h LEU 81 CO -0.14 0.73 -0.35 -0.07 -0.62 0.00 0.00 178.44 178.00 1wlo h LEU 82 N 0.99 -0.83 -2.03 2.25 3.38 0.14 -2.61 115.31 116.61 1wlo h LEU 82 Ca 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 1wlo h LEU 82 Cb 0.03 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1wlo h LEU 82 CO -0.04 -0.51 -0.08 0.08 0.09 0.00 0.00 178.44 177.97 1wlo h ARG 83 N -1.11 0.00 -0.81 1.13 0.11 -0.85 -1.62 114.38 111.23 1wlo h ARG 83 Ca -0.10 0.00 0.14 0.00 0.10 0.00 0.00 59.98 60.12 1wlo h ARG 83 Cb 0.77 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.79 1wlo h ARG 83 CO 0.16 0.08 0.53 0.93 0.10 0.00 0.00 179.97 181.78 1wlo h GLU 84 N 0.00 0.56 -0.97 0.08 4.39 0.29 -2.63 114.58 116.30 1wlo h GLU 84 Ca -0.00 -0.03 -0.36 0.00 0.34 0.00 0.00 59.36 59.31 1wlo h GLU 84 Cb 0.29 -0.13 -0.39 0.00 -0.10 0.00 0.00 28.75 28.43 1wlo h GLU 84 CO 0.01 0.37 -1.16 0.41 -1.16 0.00 0.00 179.01 177.48 1wlo n GLY 85 N -1.47 1.52 1.04 -3.84 0.00 -0.83 -4.71 105.19 96.90 1wlo n GLY 85 Ca 0.15 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.08 0.00 -4.61 0.99 4.77 -0.67 -3.88 117.00 113.52 1wlo n LEU 86 Ca 0.09 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.62 1wlo n LEU 86 Cb 0.82 0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 42.08 1wlo n LEU 86 CO 0.25 -0.26 1.74 1.21 -1.33 0.00 0.00 177.39 179.01 1wlo n GLU 87 N -2.02 2.14 0.00 3.23 0.00 -1.00 0.15 120.64 123.13 1wlo n GLU 87 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 57.16 57.84 1wlo n GLU 87 Cb 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 31.44 28.41 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 5.37 2.53 0.00 8.31 0.00 -0.62 -4.98 105.19 115.81 1wlo n GLY 88 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1wlo n GLY 88 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wlo n GLU 89 N -1.69 -0.63 -3.86 1.61 -0.58 0.12 -4.25 120.64 111.36 1wlo n GLU 89 Ca 0.00 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.51 1wlo n GLU 89 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 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 -1.58 6.33 0.00 1.62 1.04 -1.26 0.33 113.70 120.18 1wlo s SER 90 Ca 0.00 0.18 0.22 0.00 0.48 0.00 0.00 55.95 56.83 1wlo s SER 90 Cb 0.00 -1.91 0.99 0.00 0.10 0.00 0.00 66.02 65.20 1wlo s SER 90 CO 0.00 -0.07 1.71 -0.81 0.98 0.00 0.00 173.24 175.05 1wlo n PRO 91 N -1.17 0.09 -0.04 4.02 -0.04 -1.26 -1.55 135.00 135.04 1wlo n PRO 91 Ca -0.08 0.11 -0.12 0.00 -0.04 0.00 0.00 63.50 63.37 1wlo n PRO 91 Cb 0.56 -1.50 -0.14 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 -1.44 0.67 0.10 0.54 -0.58 -1.26 -3.34 120.64 115.33 1wlo n GLU 92 Ca 0.07 0.21 -0.16 0.00 -0.42 0.00 0.00 57.16 56.86 1wlo n GLU 92 Cb 0.24 -1.69 -0.14 0.00 -0.57 0.00 0.00 31.44 29.27 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 0.74 0.09 0.00 0.62 0.00 -1.89 -1.96 119.26 116.85 1wlo h ALA 93 Ca -0.39 -0.89 -0.06 0.00 0.00 0.00 0.00 54.91 53.56 1wlo h ALA 93 Cb 2.06 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 1wlo h ALA 93 CO 0.06 0.97 -0.31 0.28 0.00 0.00 0.00 179.25 180.25 1wlo h VAL 94 N 0.08 0.87 0.08 0.00 2.07 -1.45 -2.55 116.25 115.34 1wlo h VAL 94 Ca -0.14 -1.22 -0.27 0.00 0.82 0.00 0.00 66.70 65.89 1wlo h VAL 94 Cb 1.98 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 33.47 1wlo h VAL 94 CO 0.21 0.30 -1.32 -0.07 0.02 0.00 0.00 177.57 176.70 1wlo h LEU 95 N 0.00 0.25 0.00 2.57 3.38 -1.55 -3.16 115.31 116.80 1wlo h LEU 95 Ca -0.00 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1wlo h LEU 95 Cb 0.71 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1wlo h LEU 95 CO 0.04 1.25 0.00 -0.62 0.09 0.00 0.00 178.44 179.20 1wlo n GLU 96 N -3.40 0.22 -2.71 1.13 -0.58 -0.74 -4.67 120.64 109.87 1wlo n GLU 96 Ca -0.10 0.14 -0.42 0.00 -0.42 0.00 0.00 57.16 56.36 1wlo n GLU 96 Cb 1.01 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 30.35 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 -2.54 4.83 0.68 2.62 1.01 -1.10 -0.59 120.40 125.31 1wlo s VAL 97 Ca 0.14 2.02 -0.11 0.00 0.00 0.00 0.00 61.98 64.03 1wlo s VAL 97 Cb 0.10 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1wlo s VAL 97 CO 0.22 0.08 1.06 -2.16 0.00 0.00 0.00 175.10 174.30 1wlo s PRO 98 N 1.53 3.00 0.00 2.72 0.04 -1.26 -4.93 135.00 136.11 1wlo s PRO 98 Ca 0.49 0.99 0.23 0.00 0.04 0.00 0.00 61.00 62.75 1wlo s PRO 98 Cb -0.19 -2.00 1.38 0.00 0.04 0.00 0.00 34.50 33.73 1wlo s PRO 98 CO 0.22 -1.05 1.76 -0.35 0.04 0.00 0.00 177.00 177.62 1wlo n PRO 99 N -2.96 0.75 -0.74 0.56 -0.04 -1.26 -2.51 135.00 128.80 1wlo n PRO 99 Ca 0.08 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.58 1wlo n PRO 99 Cb 0.53 -1.48 0.07 0.00 -0.04 0.00 0.00 33.50 32.58 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 2.31 0.39 0.55 0.00 -1.26 -4.72 105.19 102.95 1wlo n GLY 100 Ca 0.17 -0.71 0.21 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 1.61 -5.15 -1.87 0.38 116.94 112.39 1wlo h PHE 101 Ca -0.07 0.00 -0.16 0.00 -0.20 0.00 0.00 57.97 57.54 1wlo h PHE 101 Cb 1.40 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.55 1wlo h PHE 101 CO 0.22 0.00 -0.78 0.10 -2.00 0.00 0.00 178.31 175.85 1wlo h TYR 102 N 0.00 0.00 -1.60 6.09 -0.00 -1.87 -3.46 116.97 116.13 1wlo h TYR 102 Ca 0.24 0.00 -0.70 0.00 0.00 0.00 0.00 58.73 58.27 1wlo h TYR 102 Cb 1.06 0.00 0.05 0.00 0.00 0.00 0.00 36.73 37.84 1wlo h TYR 102 CO 0.00 0.78 0.49 0.54 -0.00 0.00 0.00 178.16 179.97 1wlo n ARG 103 N -3.44 1.04 -2.05 0.10 1.74 0.13 -3.41 116.66 110.77 1wlo n ARG 103 Ca 0.00 0.38 -0.02 0.00 -0.77 0.00 0.00 57.85 57.43 1wlo n ARG 103 Cb 0.80 -2.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 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 2.70 -0.86 0.40 -0.13 0.00 -1.26 -4.97 105.19 101.07 1wlo n GLY 104 Ca 0.20 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -0.67 -0.50 0.00 1.61 4.01 -1.22 -5.03 117.16 115.36 1wlo n TYR 105 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1wlo n TYR 105 Cb 0.27 0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 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 -1.04 2.25 0.38 2.72 0.00 -1.26 -4.07 105.19 104.18 1wlo n GLY 106 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 1wlo n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wlo n LEU 107 N 0.00 -0.65 0.12 0.99 7.99 -1.26 0.19 117.00 124.38 1wlo n LEU 107 Ca 0.00 1.73 -0.13 0.00 -0.01 0.00 0.00 56.01 57.60 1wlo n LEU 107 Cb 0.00 -0.39 -0.06 0.00 -0.11 0.00 0.00 43.42 42.86 1wlo n LEU 107 CO 0.00 -1.55 0.69 -0.08 -1.51 0.00 0.00 177.39 174.94 1wlo h GLU 108 N 0.00 -0.46 -1.00 3.23 4.22 -1.83 1.72 114.58 120.46 1wlo h GLU 108 Ca 0.34 0.03 0.22 0.00 0.08 0.00 0.00 59.36 60.03 1wlo h GLU 108 Cb 0.59 0.11 -0.19 0.00 0.50 0.00 0.00 28.75 29.76 1wlo h GLU 108 CO -0.98 -0.31 -0.19 0.93 -2.18 0.00 0.00 179.01 176.28 1wlo h GLU 109 N -0.48 0.00 0.00 1.92 5.08 -0.65 -1.67 114.58 118.77 1wlo h GLU 109 Ca 0.03 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1wlo h GLU 109 Cb 0.50 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1wlo h GLU 109 CO -0.14 0.00 -0.01 0.74 -1.00 0.00 0.00 179.01 178.60 1wlo h PHE 110 N 0.00 0.00 -3.50 4.33 0.04 -0.56 -3.43 116.94 113.82 1wlo h PHE 110 Ca 0.51 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.72 1wlo h PHE 110 Cb 0.84 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.92 1wlo h PHE 110 CO -0.71 0.53 0.96 -0.06 -0.60 0.00 0.00 178.31 178.44 1wlo s PHE 111 N -1.91 2.69 1.00 -0.55 0.08 0.58 -4.99 117.98 114.88 1wlo s PHE 111 Ca -0.10 0.62 -0.19 0.00 0.12 0.00 0.00 56.93 57.37 1wlo s PHE 111 Cb -0.02 -4.45 -0.14 0.00 -0.57 0.00 0.00 43.02 37.84 1wlo s PHE 111 CO 0.37 -1.46 -0.90 0.25 -0.10 0.00 0.00 175.22 173.37 1wlo n THR 112 N 6.84 0.00 1.06 0.64 -2.24 -1.25 -4.29 114.28 115.04 1wlo n THR 112 Ca 0.12 -0.35 0.11 0.00 -2.27 0.00 0.00 64.05 61.65 1wlo n THR 112 Cb 0.49 -0.05 0.57 0.00 -2.10 0.00 0.00 70.33 69.23 1wlo n THR 112 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1wlo n PRO 113 N 2.14 0.31 -0.05 -0.78 -0.04 -1.26 -2.28 135.00 133.04 1wlo n PRO 113 Ca -0.01 0.07 -0.03 0.00 -0.04 0.00 0.00 63.50 63.48 1wlo n PRO 113 Cb 0.61 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.56 1wlo n PRO 113 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1wlo n LEU 114 N -1.29 1.18 -0.27 1.53 7.99 -1.26 -4.12 117.00 120.76 1wlo n LEU 114 Ca 0.11 0.45 0.18 0.00 -0.01 0.00 0.00 56.01 56.73 1wlo n LEU 114 Cb 0.18 -0.72 0.48 0.00 -0.11 0.00 0.00 43.42 43.24 1wlo n LEU 114 CO 0.17 -0.46 1.22 -0.09 -1.51 0.00 0.00 177.39 176.72 1wlo h ARG 115 N -0.64 0.46 -0.57 3.23 2.43 -1.90 0.58 114.38 117.97 1wlo h ARG 115 Ca 0.00 -0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.26 1wlo h ARG 115 Cb 0.39 -0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 29.73 1wlo h ARG 115 CO 0.00 0.30 -0.06 -0.07 -1.51 0.00 0.00 179.97 178.64 1wlo h LEU 116 N 0.47 -0.36 -1.00 3.80 3.38 -1.65 0.94 115.31 120.89 1wlo h LEU 116 Ca 0.50 0.15 0.27 0.00 0.09 0.00 0.00 57.88 58.89 1wlo h LEU 116 Cb 1.14 0.29 -0.19 0.00 0.09 0.00 0.00 40.66 42.00 1wlo h LEU 116 CO -0.22 -0.14 0.02 0.54 0.09 0.00 0.00 178.44 178.73 1wlo n ARG 117 N -5.32 -0.08 0.08 1.13 1.74 0.20 0.33 116.66 114.74 1wlo n ARG 117 Ca 0.07 1.50 -0.13 0.00 -0.77 0.00 0.00 57.85 58.52 1wlo n ARG 117 Cb 0.32 -2.38 -0.08 0.00 -1.02 0.00 0.00 32.46 29.29 1wlo n ARG 117 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1wlo h GLY 118 N 0.00 -0.19 -0.06 -0.13 0.00 -0.80 -2.58 103.07 99.31 1wlo h GLY 118 Ca 0.61 0.07 0.17 0.00 0.00 0.00 0.00 47.33 48.17 1wlo h GLY 118 CO -0.94 -0.07 0.24 1.41 0.00 0.00 0.00 176.54 177.19 1wlo h LEU 119 N -0.41 0.13 -0.32 3.11 4.07 0.34 0.14 115.31 122.36 1wlo h LEU 119 Ca -0.02 0.14 0.06 0.00 0.08 0.00 0.00 57.88 58.14 1wlo h LEU 119 Cb 0.33 0.16 -0.05 0.00 1.08 0.00 0.00 40.66 42.19 1wlo h LEU 119 CO 0.03 -0.00 0.01 -0.33 -1.08 0.00 0.00 178.44 177.06 1wlo h GLU 120 N 0.33 0.10 -0.97 1.13 5.08 -0.45 -0.36 114.58 119.44 1wlo h GLU 120 Ca 0.45 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.93 1wlo h GLU 120 Cb 0.77 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.91 1wlo h GLU 120 CO -0.50 0.06 0.62 0.00 -1.00 0.00 0.00 179.01 178.19 1wlo h ALA 121 N 1.27 1.61 -0.40 3.43 0.00 -0.36 0.43 119.26 125.23 1wlo h ALA 121 Ca 0.15 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1wlo h ALA 121 Cb 0.20 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 1wlo h ALA 121 CO -0.25 0.14 -0.27 0.00 0.00 0.00 0.00 179.25 178.87 1wlo h ALA 122 N 1.56 -0.04 0.69 0.00 0.00 0.07 0.58 119.26 122.10 1wlo h ALA 122 Ca 0.49 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.49 1wlo h ALA 122 Cb 0.56 0.60 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1wlo h ALA 122 CO -0.25 -0.65 -0.33 1.25 0.00 0.00 0.00 179.25 179.27 1wlo h LEU 123 N -0.20 -0.78 -1.46 0.00 7.12 -0.98 -1.68 115.31 117.33 1wlo h LEU 123 Ca 0.19 0.03 0.49 0.00 0.13 0.00 0.00 57.88 58.72 1wlo h LEU 123 Cb 0.50 0.20 -0.13 0.00 -0.53 0.00 0.00 40.66 40.69 1wlo h LEU 123 CO -0.52 -0.42 0.96 0.18 -0.13 0.00 0.00 178.44 178.51 1wlo n LEU 124 N -5.26 0.19 0.14 2.25 4.77 0.01 0.95 117.00 120.04 1wlo n LEU 124 Ca -0.11 1.35 -0.12 0.00 -0.03 0.00 0.00 56.01 57.10 1wlo n LEU 124 Cb 0.36 -0.67 -0.07 0.00 -2.33 0.00 0.00 43.42 40.72 1wlo n LEU 124 CO 0.28 -1.46 0.42 0.03 -1.33 0.00 0.00 177.39 175.33 1wlo h ARG 125 N 0.00 -0.38 -0.53 3.23 3.08 0.43 -2.33 114.38 117.87 1wlo h ARG 125 Ca 0.90 0.03 0.09 0.00 0.07 0.00 0.00 59.98 61.06 1wlo h ARG 125 Cb 2.98 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 33.04 1wlo h ARG 125 CO -0.42 -0.05 0.14 -0.07 -1.07 0.00 0.00 179.97 178.51 1wlo h LEU 126 N -0.90 0.08 -2.05 3.04 3.38 0.15 0.41 115.31 119.43 1wlo h LEU 126 Ca -0.04 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.10 1wlo h LEU 126 Cb 0.51 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1wlo h LEU 126 CO 0.07 0.07 0.22 1.56 0.09 0.00 0.00 178.44 180.45 1wlo h GLN 127 N 0.30 0.00 0.21 1.13 4.20 -0.12 0.26 115.11 121.09 1wlo h GLN 127 Ca 0.27 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.66 1wlo h GLN 127 Cb 0.34 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.16 1wlo h GLN 127 CO -0.31 0.00 -1.36 0.00 -0.67 0.00 0.00 178.83 176.49 1wlo h ALA 128 N 1.83 -0.12 0.00 3.87 0.00 0.21 -3.10 119.26 121.94 1wlo h ALA 128 Ca 0.14 -0.82 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 1wlo h ALA 128 Cb 0.58 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1wlo h ALA 128 CO -0.00 0.65 -0.26 1.96 0.00 0.00 0.00 179.25 181.60 1wlo h GLN 129 N 0.13 0.00 0.15 0.00 4.20 0.13 -2.85 115.11 116.86 1wlo h GLN 129 Ca -0.23 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 1wlo h GLN 129 Cb 2.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.84 1wlo h GLN 129 CO 0.26 0.26 -0.07 0.28 -0.67 0.00 0.00 178.83 178.88 1wlo h VAL 130 N 0.00 0.98 -0.82 -0.54 2.07 -0.60 -1.95 116.25 115.39 1wlo h VAL 130 Ca -0.00 -0.57 0.24 0.00 0.82 0.00 0.00 66.70 67.18 1wlo h VAL 130 Cb 0.48 1.33 -0.15 0.00 -1.52 0.00 0.00 31.29 31.43 1wlo h VAL 130 CO 0.03 0.13 0.06 0.54 0.02 0.00 0.00 177.57 178.36 1wlo n ARG 131 N -5.05 -0.06 -0.04 1.57 1.74 -1.08 0.21 116.66 113.94 1wlo n ARG 131 Ca -0.09 1.21 -0.14 0.00 -0.77 0.00 0.00 57.85 58.07 1wlo n ARG 131 Cb 0.20 -1.95 -0.08 0.00 -1.02 0.00 0.00 32.46 29.60 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 0.31 -0.34 5.56 6.56 -1.59 -2.84 116.57 124.24 1wlo h LYS 132 Ca 0.52 -0.21 0.10 0.00 -1.06 0.00 0.00 60.65 60.00 1wlo h LYS 132 Cb 1.10 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.78 1wlo h LYS 132 CO -0.76 0.81 0.37 0.00 -2.06 0.00 0.00 179.45 177.81 1wlo h ALA 133 N 0.50 2.03 -1.00 3.86 0.00 0.32 0.64 119.26 125.62 1wlo h ALA 133 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1wlo h ALA 133 Cb 0.81 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 1wlo h ALA 133 CO 0.05 -0.55 0.64 -0.07 0.00 0.00 0.00 179.25 179.32 1wlo h LEU 134 N 0.00 1.00 0.00 0.00 3.38 0.54 -2.17 115.31 118.06 1wlo h LEU 134 Ca 0.16 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1wlo h LEU 134 Cb 0.90 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1wlo h LEU 134 CO -0.00 0.61 -1.58 0.35 0.09 0.00 0.00 178.44 177.90 1wlo n THR 135 N -4.53 0.00 -0.13 0.22 -2.24 0.10 -5.12 114.28 102.57 1wlo n THR 135 Ca 0.16 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1wlo n THR 135 Cb 0.24 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1wlo n THR 135 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26