#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 0.01 1.03 2.03 1.01 -1.26 -1.32 120.40 121.90 1wlo s VAL 2 Ca 0.00 -0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.71 1wlo s VAL 2 Cb 0.00 -0.19 0.21 0.00 0.00 0.00 0.00 36.38 36.40 1wlo s VAL 2 CO 0.00 -0.06 1.19 -2.16 0.00 0.00 0.00 175.10 174.08 1wlo s PRO 3 N -0.15 0.14 -0.07 2.72 0.04 -1.26 -4.87 135.00 131.55 1wlo s PRO 3 Ca -0.02 -0.09 -0.17 0.00 0.04 0.00 0.00 61.00 60.76 1wlo s PRO 3 Cb -0.02 -1.76 -0.13 0.00 0.04 0.00 0.00 34.50 32.64 1wlo s PRO 3 CO 0.00 -2.80 0.64 -1.00 0.04 0.00 0.00 177.00 173.88 1wlo h PRO 4 N -1.93 -0.19 -0.95 0.56 0.13 -1.97 -1.66 132.00 125.99 1wlo h PRO 4 Ca -0.46 0.01 0.33 0.00 -0.87 0.00 0.00 66.00 65.01 1wlo h PRO 4 Cb 1.28 0.04 -0.17 0.00 0.13 0.00 0.00 31.00 32.28 1wlo h PRO 4 CO 0.44 0.18 0.28 1.63 -0.23 0.00 0.00 178.00 180.30 1wlo n LYS 5 N -4.89 -0.07 0.00 0.86 5.02 -1.26 0.18 118.16 118.01 1wlo n LYS 5 Ca -0.06 1.36 -0.00 0.00 -2.02 0.00 0.00 58.31 57.58 1wlo n LYS 5 Cb 0.23 -2.30 -0.00 0.00 -0.02 0.00 0.00 35.03 32.94 1wlo n LYS 5 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1wlo h LEU 6 N 0.00 -0.00 -1.91 -0.35 6.46 -1.57 -1.16 115.31 116.78 1wlo h LEU 6 Ca 0.70 0.00 0.56 0.00 -0.12 0.00 0.00 57.88 59.01 1wlo h LEU 6 Cb 1.69 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 41.54 1wlo h LEU 6 CO -0.80 0.00 1.38 1.17 -0.62 0.00 0.00 178.44 179.56 1wlo n LYS 7 N -2.03 -0.00 0.09 1.25 3.00 -0.39 0.11 118.16 120.19 1wlo n LYS 7 Ca -0.00 1.05 -0.08 0.00 -0.00 0.00 0.00 58.31 59.28 1wlo n LYS 7 Cb 0.00 -2.43 -0.05 0.00 0.00 0.00 0.00 35.03 32.56 1wlo n LYS 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1wlo h GLN 8 N 0.00 -0.31 -0.20 1.64 1.08 0.19 0.70 115.11 118.22 1wlo h GLN 8 Ca 0.91 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 58.19 1wlo h GLN 8 Cb 3.66 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 31.15 1wlo h GLN 8 CO -0.02 -0.05 0.19 0.00 -0.95 0.00 0.00 178.83 178.00 1wlo h ALA 9 N -0.79 1.90 0.00 3.87 0.00 0.21 0.71 119.26 125.16 1wlo h ALA 9 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1wlo h ALA 9 Cb 0.41 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1wlo h ALA 9 CO 0.05 -0.29 -0.16 -0.07 0.00 0.00 0.00 179.25 178.79 1wlo h LEU 10 N 0.00 0.00 -0.67 0.00 3.38 0.03 -2.92 115.31 115.13 1wlo h LEU 10 Ca 0.09 -0.21 0.11 0.00 0.09 0.00 0.00 57.88 57.97 1wlo h LEU 10 Cb 0.47 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.14 1wlo h LEU 10 CO -0.00 0.69 0.25 -0.33 0.09 0.00 0.00 178.44 179.14 1wlo h GLU 11 N -1.00 0.41 -0.87 1.13 5.08 0.94 0.13 114.58 120.40 1wlo h GLU 11 Ca -0.02 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1wlo h GLU 11 Cb 0.34 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1wlo h GLU 11 CO -0.01 0.27 0.56 1.25 -1.00 0.00 0.00 179.01 180.08 1wlo h LEU 12 N 0.42 0.93 0.51 1.33 5.85 0.28 0.39 115.31 125.01 1wlo h LEU 12 Ca 0.35 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 1wlo h LEU 12 Cb 0.47 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1wlo h LEU 12 CO -0.35 0.64 -0.24 0.15 -0.34 0.00 0.00 178.44 178.30 1wlo h PHE 13 N 1.09 -0.63 -0.32 1.25 3.57 -0.64 1.39 116.94 122.65 1wlo h PHE 13 Ca 0.35 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.93 1wlo h PHE 13 Cb 0.01 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1wlo h PHE 13 CO -0.02 -0.39 0.33 -0.22 -2.23 0.00 0.00 178.31 175.78 1wlo h LYS 14 N -0.73 0.00 0.19 1.11 3.64 -0.87 0.29 116.57 120.19 1wlo h LYS 14 Ca -0.07 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.00 1wlo h LYS 14 Cb 0.52 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1wlo h LYS 14 CO 0.11 0.00 -1.38 1.03 -2.27 0.00 0.00 179.45 176.94 1wlo h SER 15 N 0.00 0.61 -4.25 4.20 0.87 0.16 -3.46 113.55 111.68 1wlo h SER 15 Ca 0.15 -0.67 -0.52 0.00 -1.23 0.00 0.00 61.79 59.52 1wlo h SER 15 Cb 0.81 -0.20 0.14 0.00 -0.44 0.00 0.00 62.40 62.71 1wlo h SER 15 CO -0.00 1.53 0.33 -0.76 -0.53 0.00 0.00 176.83 177.40 1wlo s LEU 16 N -7.34 3.16 0.28 2.23 1.43 0.47 -4.98 118.68 113.94 1wlo s LEU 16 Ca -0.07 2.02 -0.29 0.00 -1.03 0.00 0.00 54.13 54.76 1wlo s LEU 16 Cb 0.06 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.63 1wlo s LEU 16 CO 0.91 -2.11 1.08 -2.16 0.23 0.00 0.00 176.35 174.30 1wlo s PRO 17 N -4.45 4.65 0.01 1.29 0.04 -1.26 -4.72 135.00 130.56 1wlo s PRO 17 Ca 0.66 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 63.45 1wlo s PRO 17 Cb -0.21 -3.18 -0.00 0.00 0.04 0.00 0.00 34.50 31.15 1wlo s PRO 17 CO 0.50 0.24 0.80 0.36 0.04 0.00 0.00 177.00 178.94 1wlo n LYS 18 N 1.18 -0.02 -0.26 4.56 2.85 -1.26 0.11 118.16 125.33 1wlo n LYS 18 Ca -0.01 0.80 -0.03 0.00 -1.05 0.00 0.00 58.31 58.02 1wlo n LYS 18 Cb 0.45 -1.20 -0.01 0.00 -0.65 0.00 0.00 35.03 33.62 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 -2.89 -0.21 0.21 -1.58 0.28 -1.26 0.13 120.64 115.32 1wlo n GLU 19 Ca 0.00 0.99 -0.15 0.00 -0.16 0.00 0.00 57.16 57.84 1wlo n GLU 19 Cb 0.01 -1.46 -0.08 0.00 1.43 0.00 0.00 31.44 31.34 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 -0.41 -0.93 -1.84 3.38 -0.46 -2.78 115.31 112.27 1wlo h LEU 20 Ca 0.17 -0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.33 1wlo h LEU 20 Cb 0.34 0.11 -0.17 0.00 0.09 0.00 0.00 40.66 41.02 1wlo h LEU 20 CO -0.63 -0.23 -0.11 0.54 0.09 0.00 0.00 178.44 178.10 1wlo n ARG 21 N -5.27 -0.08 -0.27 1.13 1.74 0.34 0.19 116.66 114.45 1wlo n ARG 21 Ca -0.10 1.42 0.07 0.00 -0.77 0.00 0.00 57.85 58.47 1wlo n ARG 21 Cb 0.23 -2.18 0.20 0.00 -1.02 0.00 0.00 32.46 29.69 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 -0.17 -0.02 0.55 0.87 -0.48 0.48 113.55 114.78 1wlo h SER 22 Ca 0.50 0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 61.24 1wlo h SER 22 Cb 0.92 0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1wlo h SER 22 CO -0.91 -0.14 -0.00 1.56 -0.53 0.00 0.00 176.83 176.81 1wlo h GLN 23 N 0.17 0.04 -0.39 2.24 1.08 0.20 -3.10 115.11 115.35 1wlo h GLN 23 Ca 0.45 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.68 1wlo h GLN 23 Cb 0.83 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.21 1wlo h GLN 23 CO -0.63 0.34 -0.24 0.28 -0.95 0.00 0.00 178.83 177.62 1wlo h VAL 24 N -0.27 0.00 -0.97 -0.54 2.07 0.26 0.89 116.25 117.69 1wlo h VAL 24 Ca 0.01 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.70 1wlo h VAL 24 Cb 0.32 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.92 1wlo h VAL 24 CO 0.00 0.00 -0.30 0.18 0.02 0.00 0.00 177.57 177.47 1wlo n LEU 25 N -3.92 -0.48 0.33 2.57 4.77 -0.64 0.25 117.00 119.88 1wlo n LEU 25 Ca 0.01 1.69 -0.17 0.00 -0.03 0.00 0.00 56.01 57.50 1wlo n LEU 25 Cb 0.11 -0.46 -0.09 0.00 -2.33 0.00 0.00 43.42 40.66 1wlo n LEU 25 CO -0.06 -1.57 0.61 -0.07 -1.33 0.00 0.00 177.39 174.97 1wlo h LEU 26 N 0.00 -0.98 -0.88 2.23 -0.00 -0.10 -2.21 115.31 113.37 1wlo h LEU 26 Ca 0.41 0.06 0.08 0.00 -0.00 0.00 0.00 57.88 58.43 1wlo h LEU 26 Cb 0.65 0.29 -0.11 0.00 -0.00 0.00 0.00 40.66 41.50 1wlo h LEU 26 CO -0.99 -0.58 -0.52 -0.62 -0.00 0.00 0.00 178.44 175.73 1wlo n GLU 27 N -5.51 -0.39 -0.23 1.13 1.02 0.26 0.76 120.64 117.69 1wlo n GLU 27 Ca -0.12 1.37 0.03 0.00 -0.02 0.00 0.00 57.16 58.41 1wlo n GLU 27 Cb 0.40 -2.01 0.14 0.00 -0.02 0.00 0.00 31.44 29.95 1wlo n GLU 27 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1wlo h TYR 28 N 0.00 0.05 0.00 -0.32 0.05 -0.90 1.59 116.97 117.44 1wlo h TYR 28 Ca 0.14 0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.97 1wlo h TYR 28 Cb 0.36 0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.19 1wlo h TYR 28 CO -0.94 -0.16 0.00 0.00 -1.05 0.00 0.00 178.16 176.01 1wlo h ALA 29 N 1.60 1.00 0.00 3.88 0.00 0.98 0.37 119.26 127.09 1wlo h ALA 29 Ca 0.37 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 1wlo h ALA 29 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1wlo h ALA 29 CO -0.55 0.00 -1.54 0.00 0.00 0.00 0.00 179.25 177.16 1wlo n ALA 30 N -1.90 2.25 -1.28 0.00 0.00 0.52 -4.07 120.51 116.03 1wlo n ALA 30 Ca -0.02 -0.54 -0.31 0.00 0.00 0.00 0.00 53.44 52.57 1wlo n ALA 30 Cb 0.06 -0.87 0.06 0.00 0.00 0.00 0.00 19.45 18.71 1wlo n ALA 30 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wlo n LYS 31 N -2.67 2.47 -3.81 0.00 4.01 0.13 -4.75 118.16 113.54 1wlo n LYS 31 Ca -0.08 -2.86 -0.30 0.00 -0.51 0.00 0.00 58.31 54.56 1wlo n LYS 31 Cb 0.73 -2.12 -0.14 0.00 -0.51 0.00 0.00 35.03 33.00 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 -4.15 1.85 0.62 -0.18 1.01 -1.16 -4.83 120.40 113.55 1wlo s VAL 32 Ca 0.56 -2.78 -0.14 0.00 0.00 0.00 0.00 61.98 59.61 1wlo s VAL 32 Cb 0.44 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1wlo s VAL 32 CO -0.05 -0.84 1.05 -2.16 0.00 0.00 0.00 175.10 173.11 1wlo s PRO 33 N 0.19 3.25 0.57 2.72 0.04 -1.26 -5.04 135.00 135.48 1wlo s PRO 33 Ca 0.17 1.11 -0.16 0.00 0.04 0.00 0.00 61.00 62.15 1wlo s PRO 33 Cb -0.25 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 1wlo s PRO 33 CO -0.01 -0.86 1.05 -1.25 0.04 0.00 0.00 177.00 175.97 1wlo s PRO 34 N -4.37 3.44 0.89 0.56 0.04 -1.26 -4.52 135.00 129.78 1wlo s PRO 34 Ca 0.61 1.19 -0.12 0.00 0.04 0.00 0.00 61.00 62.72 1wlo s PRO 34 Cb -0.15 -2.05 0.13 0.00 0.04 0.00 0.00 34.50 32.47 1wlo s PRO 34 CO 0.42 -0.71 1.13 -1.25 0.04 0.00 0.00 177.00 176.63 1wlo s PRO 35 N -3.99 1.29 0.70 0.56 0.04 -1.26 -4.99 135.00 127.35 1wlo s PRO 35 Ca 0.63 0.34 -0.11 0.00 0.04 0.00 0.00 61.00 61.90 1wlo s PRO 35 Cb -0.15 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.55 1wlo s PRO 35 CO 0.35 -2.10 1.06 -1.25 0.04 0.00 0.00 177.00 175.09 1wlo s PRO 36 N -5.27 2.87 -0.32 0.56 0.04 -1.26 -4.97 135.00 126.65 1wlo s PRO 36 Ca 0.63 0.93 -0.29 0.00 0.04 0.00 0.00 61.00 62.32 1wlo s PRO 36 Cb -0.15 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1wlo s PRO 36 CO 0.53 -1.14 1.36 -1.25 0.04 0.00 0.00 177.00 176.55 1wlo s PRO 37 N -5.05 3.81 0.00 0.56 0.04 -1.26 -3.56 135.00 129.54 1wlo s PRO 37 Ca 0.58 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1wlo s PRO 37 Cb -0.14 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1wlo s PRO 37 CO 0.55 -1.26 0.00 0.41 0.04 0.00 0.00 177.00 176.74 1wlo n GLY 38 N 4.56 3.09 3.46 0.56 0.00 -1.26 -5.10 105.19 110.50 1wlo n GLY 38 Ca 0.16 -0.68 -0.50 0.00 0.00 0.00 0.00 46.02 45.00 1wlo n GLY 38 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wlo n VAL 39 N 0.00 1.53 -3.62 1.61 3.14 -1.23 -4.91 118.33 114.85 1wlo n VAL 39 Ca 0.00 -0.38 -0.37 0.00 -2.96 0.00 0.00 64.34 60.63 1wlo n VAL 39 Cb 0.00 -0.21 -0.06 0.00 -1.06 0.00 0.00 33.84 32.51 1wlo n VAL 39 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1wlo s GLU 40 N -0.83 3.91 -0.03 1.45 2.12 -1.26 -4.95 118.70 119.11 1wlo s GLU 40 Ca 0.69 0.14 0.07 0.00 0.36 0.00 0.00 54.97 56.23 1wlo s GLU 40 Cb -0.95 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 30.13 1wlo s GLU 40 CO 0.56 0.55 -0.23 -0.51 -0.54 0.00 0.00 175.26 175.08 1wlo s LEU 41 N -0.48 2.20 -0.12 2.70 1.43 -1.26 -4.67 118.68 118.47 1wlo s LEU 41 Ca 0.18 -0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 52.67 1wlo s LEU 41 Cb -0.14 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1wlo s LEU 41 CO 0.07 0.32 0.56 -0.70 0.23 0.00 0.00 176.35 176.83 1wlo s GLU 42 N -0.60 4.33 -0.01 1.70 2.12 0.63 -4.70 118.70 122.16 1wlo s GLU 42 Ca 0.09 0.58 -0.30 0.00 0.36 0.00 0.00 54.97 55.70 1wlo s GLU 42 Cb -0.10 -3.47 -0.05 0.00 0.26 0.00 0.00 34.13 30.76 1wlo s GLU 42 CO -0.00 0.04 1.40 0.50 -0.54 0.00 0.00 175.26 176.66 1wlo s ARG 43 N 0.96 4.28 -0.94 4.30 3.52 -1.26 -1.67 118.95 128.13 1wlo s ARG 43 Ca 0.29 1.95 -0.24 0.00 -0.13 0.00 0.00 55.73 57.60 1wlo s ARG 43 Cb -0.16 -3.59 0.00 0.00 -1.56 0.00 0.00 34.95 29.64 1wlo s ARG 43 CO 0.12 -0.59 1.69 0.08 -0.81 0.00 0.00 175.30 175.79 1wlo s VAL 44 N 2.49 3.68 0.14 7.11 1.01 0.11 -4.78 120.40 130.16 1wlo s VAL 44 Ca 0.64 -0.51 -0.14 0.00 0.00 0.00 0.00 61.98 61.97 1wlo s VAL 44 Cb -0.31 -4.53 0.01 0.00 0.00 0.00 0.00 36.38 31.55 1wlo s VAL 44 CO 0.26 -1.45 1.64 0.45 0.00 0.00 0.00 175.10 176.00 1wlo h HIS 45 N 10.66 0.81 -1.81 5.22 -0.00 -1.88 -2.54 115.15 125.61 1wlo h HIS 45 Ca 0.12 -0.10 0.53 0.00 -0.00 0.00 0.00 60.37 60.92 1wlo h HIS 45 Cb 1.01 -0.22 -0.08 0.00 -0.00 0.00 0.00 27.41 28.12 1wlo h HIS 45 CO 1.24 0.74 1.30 0.39 -0.00 0.00 0.00 177.93 181.60 1wlo n GLU 46 N -4.47 -0.00 -4.09 2.45 -0.58 -1.26 -4.13 120.64 108.55 1wlo n GLU 46 Ca 0.01 1.00 -0.25 0.00 -0.42 0.00 0.00 57.16 57.50 1wlo n GLU 46 Cb 0.23 -2.30 -0.05 0.00 -0.57 0.00 0.00 31.44 28.75 1wlo n GLU 46 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wlo n GLN 48 N -0.61 2.50 -3.79 0.00 6.02 -1.26 -4.90 117.38 115.35 1wlo n GLN 48 Ca -0.08 -2.83 -0.12 0.00 -0.01 0.00 0.00 57.00 53.96 1wlo n GLN 48 Cb 0.56 -2.15 -0.08 0.00 1.02 0.00 0.00 30.24 29.59 1wlo n GLN 48 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1wlo s THR 49 N -3.70 0.08 -1.18 5.09 -4.23 -1.26 -5.05 115.64 105.40 1wlo s THR 49 Ca 0.54 -0.67 -0.07 0.00 -1.18 0.00 0.00 61.69 60.31 1wlo s THR 49 Cb 0.41 -0.78 -0.07 0.00 1.34 0.00 0.00 72.50 73.39 1wlo s THR 49 CO -0.23 -0.37 2.48 -0.81 -0.54 0.00 0.00 174.62 175.15 1wlo n PRO 50 N 0.90 2.72 -3.52 3.99 -0.04 -1.26 -4.65 135.00 133.14 1wlo n PRO 50 Ca -0.20 -1.73 -0.42 0.00 -0.04 0.00 0.00 63.50 61.11 1wlo n PRO 50 Cb 0.58 -2.57 -0.10 0.00 -0.04 0.00 0.00 33.50 31.36 1wlo n PRO 50 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1wlo s PHE 51 N 2.85 3.25 0.21 0.54 5.36 -1.26 -3.99 117.98 124.94 1wlo s PHE 51 Ca 0.52 -0.88 0.05 0.00 -0.96 0.00 0.00 56.93 55.66 1wlo s PHE 51 Cb 0.14 -2.63 -0.03 0.00 -0.34 0.00 0.00 43.02 40.15 1wlo s PHE 51 CO -0.04 -0.67 0.28 -0.06 -1.46 0.00 0.00 175.22 173.27 1wlo s PHE 52 N 1.60 3.34 0.07 10.12 0.08 0.63 0.05 117.98 133.86 1wlo s PHE 52 Ca 0.03 -0.01 -0.19 0.00 0.12 0.00 0.00 56.93 56.88 1wlo s PHE 52 Cb -0.20 -1.54 0.04 0.00 -0.57 0.00 0.00 43.02 40.75 1wlo s PHE 52 CO 0.07 0.48 0.45 0.14 -0.10 0.00 0.00 175.22 176.27 1wlo s VAL 53 N -1.94 0.05 -0.17 -0.44 -7.23 -0.67 -1.17 120.40 108.83 1wlo s VAL 53 Ca 0.33 -0.40 -0.04 0.00 -1.81 0.00 0.00 61.98 60.06 1wlo s VAL 53 Cb -0.09 -1.01 0.08 0.00 0.56 0.00 0.00 36.38 35.92 1wlo s VAL 53 CO 0.27 -0.22 0.23 -2.28 -0.31 0.00 0.00 175.10 172.79 1wlo s HIS 54 N -2.81 -0.34 -0.14 2.82 2.46 0.05 -0.27 115.29 117.07 1wlo s HIS 54 Ca -0.03 0.52 -0.07 0.00 0.47 0.00 0.00 55.06 55.94 1wlo s HIS 54 Cb -0.00 -0.24 -0.04 0.00 -0.13 0.00 0.00 32.58 32.17 1wlo s HIS 54 CO -0.05 -0.50 0.12 0.00 -2.47 0.00 0.00 174.74 171.85 1wlo s ALA 55 N 2.36 3.75 0.17 1.58 0.00 -1.26 -2.17 121.76 126.19 1wlo s ALA 55 Ca 0.05 -0.67 -0.24 0.00 0.00 0.00 0.00 51.96 51.10 1wlo s ALA 55 Cb -0.14 -1.98 0.06 0.00 0.00 0.00 0.00 23.12 21.06 1wlo s ALA 55 CO -0.10 0.47 0.87 -0.51 0.00 0.00 0.00 175.76 176.49 1wlo s ASP 56 N -0.56 -0.23 -0.05 0.00 1.01 -1.20 -4.14 116.67 111.50 1wlo s ASP 56 Ca 0.12 -0.41 0.00 0.00 0.71 0.00 0.00 52.55 52.98 1wlo s ASP 56 Cb -0.12 0.55 0.02 0.00 1.01 0.00 0.00 42.92 44.39 1wlo s ASP 56 CO 0.02 -1.00 -0.02 0.54 0.21 0.00 0.00 175.17 174.92 1wlo s VAL 57 N -3.46 0.41 -0.32 -1.27 0.11 -1.26 0.25 120.40 114.86 1wlo s VAL 57 Ca 0.11 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.20 1wlo s VAL 57 Cb -0.03 -0.50 0.09 0.00 -1.53 0.00 0.00 36.38 34.42 1wlo s VAL 57 CO 0.02 0.22 0.04 -1.61 -3.33 0.00 0.00 175.10 170.44 1wlo s GLU 58 N 1.33 1.46 0.02 1.54 0.41 -0.01 -4.91 118.70 118.54 1wlo s GLU 58 Ca -0.05 -1.68 0.00 0.00 -0.41 0.00 0.00 54.97 52.83 1wlo s GLU 58 Cb -0.13 -2.99 0.00 0.00 -1.78 0.00 0.00 34.13 29.22 1wlo s GLU 58 CO -0.02 -0.90 0.00 0.41 -0.49 0.00 0.00 175.26 174.26 1wlo n GLY 59 N 4.36 1.50 0.42 -1.39 0.00 -1.26 -3.99 105.19 104.83 1wlo n GLY 59 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.62 3.06 -0.02 0.00 -1.26 -5.11 105.19 102.47 1wlo n GLY 60 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1wlo n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wlo s LYS 61 N 0.00 0.54 -0.20 1.61 1.02 -1.26 -4.65 119.74 116.80 1wlo s LYS 61 Ca 0.00 -0.93 -0.15 0.00 0.02 0.00 0.00 55.97 54.91 1wlo s LYS 61 Cb 0.00 -0.04 -0.04 0.00 -0.52 0.00 0.00 37.83 37.23 1wlo s LYS 61 CO 0.00 -0.03 0.38 0.14 -0.92 0.00 0.00 175.35 174.92 1wlo s VAL 62 N -2.40 5.21 -0.60 3.17 -7.23 0.80 -0.83 120.40 118.52 1wlo s VAL 62 Ca -0.04 0.66 -0.23 0.00 -1.81 0.00 0.00 61.98 60.57 1wlo s VAL 62 Cb -0.03 -3.71 0.06 0.00 0.56 0.00 0.00 36.38 33.26 1wlo s VAL 62 CO -0.03 0.26 0.90 -0.13 -0.31 0.00 0.00 175.10 175.79 1wlo s ARG 63 N 1.29 3.18 -0.09 4.82 1.81 0.70 -3.12 118.95 127.54 1wlo s ARG 63 Ca 0.18 -0.66 -0.28 0.00 -1.72 0.00 0.00 55.73 53.24 1wlo s ARG 63 Cb -0.15 -4.15 -0.02 0.00 -0.45 0.00 0.00 34.95 30.18 1wlo s ARG 63 CO 0.08 -1.62 0.93 -0.51 -0.68 0.00 0.00 175.30 173.50 1wlo s LEU 64 N 3.79 4.27 -0.13 2.53 1.43 -1.26 -3.24 118.68 126.07 1wlo s LEU 64 Ca 0.24 1.45 -0.00 0.00 -1.03 0.00 0.00 54.13 54.78 1wlo s LEU 64 Cb -0.16 -3.44 0.03 0.00 0.03 0.00 0.00 46.19 42.65 1wlo s LEU 64 CO 0.13 -0.36 -0.08 -0.31 0.23 0.00 0.00 176.35 175.96 1wlo s TYR 65 N 1.66 1.69 -0.08 0.29 2.02 -0.92 -5.01 117.35 117.00 1wlo s TYR 65 Ca 0.46 -0.93 0.05 0.00 -0.37 0.00 0.00 57.07 56.27 1wlo s TYR 65 Cb -0.18 -1.34 -0.01 0.00 -0.40 0.00 0.00 41.96 40.03 1wlo s TYR 65 CO 0.19 -0.57 -0.23 -0.06 -1.57 0.00 0.00 175.55 173.30 1wlo s PHE 66 N 1.64 2.51 -0.17 2.71 0.08 -1.26 -0.77 117.98 122.72 1wlo s PHE 66 Ca 0.04 -0.80 -0.02 0.00 0.12 0.00 0.00 56.93 56.27 1wlo s PHE 66 Cb -0.13 -1.65 0.05 0.00 -0.57 0.00 0.00 43.02 40.72 1wlo s PHE 66 CO -0.09 -0.27 0.01 -1.58 -0.10 0.00 0.00 175.22 173.20 1wlo s HIS 67 N 0.01 1.15 -0.09 0.36 5.65 -0.31 -4.12 115.29 117.92 1wlo s HIS 67 Ca -0.08 -0.84 -0.02 0.00 0.25 0.00 0.00 55.06 54.36 1wlo s HIS 67 Cb -0.15 -1.07 0.04 0.00 -1.18 0.00 0.00 32.58 30.22 1wlo s HIS 67 CO 0.05 -0.58 0.03 0.54 -0.65 0.00 0.00 174.74 174.13 1wlo s VAL 68 N 1.82 0.26 -0.03 0.89 0.11 -1.26 -0.27 120.40 121.91 1wlo s VAL 68 Ca -0.00 0.05 -0.05 0.00 -2.93 0.00 0.00 61.98 59.04 1wlo s VAL 68 Cb -0.16 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 34.12 1wlo s VAL 68 CO -0.07 0.12 0.33 1.55 -3.33 0.00 0.00 175.10 173.70 1wlo h PRO 69 N 8.35 -0.19 -1.86 1.54 0.13 -2.00 -3.23 132.00 134.73 1wlo h PRO 69 Ca -0.17 0.01 0.54 0.00 -0.87 0.00 0.00 66.00 65.51 1wlo h PRO 69 Cb 1.13 0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 1wlo h PRO 69 CO 0.25 -0.12 1.37 -3.47 -0.23 0.00 0.00 178.00 175.80 1wlo n ASP 70 N -3.72 0.00 -0.83 1.44 2.03 -1.26 -4.67 116.55 109.54 1wlo n ASP 70 Ca -0.02 0.95 -0.11 0.00 0.52 0.00 0.00 54.79 56.12 1wlo n ASP 70 Cb 0.08 -0.46 -0.05 0.00 -0.72 0.00 0.00 41.12 39.97 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 -3.81 -0.88 -1.56 -0.67 1.02 -1.22 -4.88 120.64 108.64 1wlo n GLU 71 Ca 0.42 0.86 -0.61 0.00 -0.02 0.00 0.00 57.16 57.81 1wlo n GLU 71 Cb 1.93 -4.86 -0.08 0.00 -0.02 0.00 0.00 31.44 28.40 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 1.20 -3.12 0.88 0.62 0.00 -1.26 -4.77 120.51 114.05 1wlo n ALA 72 Ca -0.11 0.58 0.11 0.00 0.00 0.00 0.00 53.44 54.02 1wlo n ALA 72 Cb 0.39 -1.80 0.51 0.00 0.00 0.00 0.00 19.45 18.55 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 2.08 0.12 -0.09 0.00 -0.04 -1.26 -0.78 135.00 135.03 1wlo n PRO 73 Ca 0.23 0.10 -0.12 0.00 -0.04 0.00 0.00 63.50 63.67 1wlo n PRO 73 Cb 0.05 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.86 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 -1.42 1.47 -0.02 0.52 -2.24 -1.26 -3.42 114.28 107.90 1wlo n THR 74 Ca 0.07 -0.78 -0.18 0.00 -2.27 0.00 0.00 64.05 60.89 1wlo n THR 74 Cb 0.23 -0.82 -0.13 0.00 -2.10 0.00 0.00 70.33 67.50 1wlo n THR 74 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1wlo h VAL 75 N 0.00 1.48 -0.33 2.28 -1.51 -1.88 -3.31 116.25 112.97 1wlo h VAL 75 Ca -0.50 -2.39 0.00 0.00 -1.23 0.00 0.00 66.70 62.58 1wlo h VAL 75 Cb 2.13 3.08 -0.02 0.00 -2.13 0.00 0.00 31.29 34.35 1wlo h VAL 75 CO 0.02 0.62 0.22 0.50 -1.23 0.00 0.00 177.57 177.70 1wlo h LYS 76 N -0.69 0.43 -0.30 5.19 3.64 -1.18 -2.95 116.57 120.70 1wlo h LYS 76 Ca -0.14 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.24 1wlo h LYS 76 Cb 1.36 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.05 1wlo h LYS 76 CO 0.03 0.29 -0.18 0.00 -2.27 0.00 0.00 179.45 177.32 1wlo n ALA 77 N -2.19 -0.19 -0.30 5.00 0.00 -1.22 0.12 120.51 121.73 1wlo n ALA 77 Ca -0.01 0.25 0.09 0.00 0.00 0.00 0.00 53.44 53.78 1wlo n ALA 77 Cb 0.03 0.29 0.21 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.07 0.57 0.00 3.57 -1.62 0.30 116.94 119.69 1wlo h PHE 78 Ca 0.05 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1wlo h PHE 78 Cb 0.12 0.17 0.01 0.00 2.79 0.00 0.00 35.95 39.04 1wlo h PHE 78 CO -0.93 -0.33 -0.27 0.00 -2.23 0.00 0.00 178.31 174.55 1wlo h ALA 79 N 1.84 -0.76 0.00 2.41 0.00 0.18 0.22 119.26 123.15 1wlo h ALA 79 Ca 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1wlo h ALA 79 Cb 0.94 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1wlo h ALA 79 CO -0.79 -0.91 0.25 0.78 0.00 0.00 0.00 179.25 178.58 1wlo h GLY 80 N -0.81 0.00 0.00 0.00 0.00 0.36 0.11 103.07 102.74 1wlo h GLY 80 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1wlo h GLY 80 CO 0.13 0.00 -0.21 -2.00 0.00 0.00 0.00 176.54 174.46 1wlo h LEU 81 N 0.00 0.00 -1.86 3.11 6.46 0.58 -2.60 115.31 120.99 1wlo h LEU 81 Ca 0.00 -0.19 0.16 0.00 -0.12 0.00 0.00 57.88 57.73 1wlo h LEU 81 Cb 0.49 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 1wlo h LEU 81 CO 0.00 0.71 0.44 -0.07 -0.62 0.00 0.00 178.44 178.89 1wlo h LEU 82 N -1.00 0.13 0.00 2.25 3.38 0.05 1.24 115.31 121.36 1wlo h LEU 82 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wlo h LEU 82 Cb 0.36 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1wlo h LEU 82 CO -0.01 0.06 -0.15 -1.14 0.09 0.00 0.00 178.44 177.29 1wlo n ARG 83 N -4.40 0.17 0.00 1.13 0.63 0.27 0.80 116.66 115.27 1wlo n ARG 83 Ca 0.12 0.12 0.12 0.00 -0.92 0.00 0.00 57.85 57.29 1wlo n ARG 83 Cb 0.61 -1.68 0.16 0.00 0.45 0.00 0.00 32.46 32.00 1wlo n ARG 83 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1wlo n GLU 84 N -1.97 1.74 0.00 -0.14 -0.58 0.41 -3.64 120.64 116.47 1wlo n GLU 84 Ca 0.06 -1.36 0.00 0.00 -0.42 0.00 0.00 57.16 55.43 1wlo n GLU 84 Cb 0.40 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 1wlo n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wlo n GLY 85 N 1.35 0.00 0.00 0.62 0.00 -0.30 -4.37 105.19 102.49 1wlo n GLY 85 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 1wlo n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wlo n LEU 86 N -1.94 0.04 0.00 0.99 7.99 0.24 -2.76 117.00 121.56 1wlo n LEU 86 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 56.01 56.17 1wlo n LEU 86 Cb 0.31 -0.51 0.00 0.00 -0.11 0.00 0.00 43.42 43.11 1wlo n LEU 86 CO 0.00 -0.50 0.00 1.21 -1.51 0.00 0.00 177.39 176.59 1wlo n GLU 87 N -2.38 0.00 -0.72 3.23 4.07 -1.13 0.26 120.64 123.97 1wlo n GLU 87 Ca -0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1wlo n GLU 87 Cb 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.39 1wlo n GLU 87 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1wlo n GLY 88 N 0.00 0.82 3.91 8.31 0.00 -1.18 -4.93 105.19 112.11 1wlo n GLY 88 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.28 2.15 0.75 1.61 0.41 0.72 -4.59 118.70 119.47 1wlo s GLU 89 Ca 0.00 0.05 -0.11 0.00 -0.41 0.00 0.00 54.97 54.50 1wlo s GLU 89 Cb 0.00 -2.02 0.04 0.00 -1.78 0.00 0.00 34.13 30.37 1wlo s GLU 89 CO 0.00 -1.42 1.08 -1.12 -0.49 0.00 0.00 175.26 173.32 1wlo s SER 90 N -4.53 4.95 0.16 -0.19 0.01 -1.26 -0.14 113.70 112.69 1wlo s SER 90 Ca 0.61 1.38 0.24 0.00 1.31 0.00 0.00 55.95 59.48 1wlo s SER 90 Cb -0.11 -2.17 0.91 0.00 0.21 0.00 0.00 66.02 64.86 1wlo s SER 90 CO 0.48 -1.69 1.73 -0.81 0.41 0.00 0.00 173.24 173.36 1wlo n PRO 91 N -3.26 0.15 -0.12 12.44 -0.04 -1.26 -2.39 135.00 140.53 1wlo n PRO 91 Ca 0.07 0.25 -0.25 0.00 -0.04 0.00 0.00 63.50 63.54 1wlo n PRO 91 Cb 0.55 -1.73 -0.11 0.00 -0.04 0.00 0.00 33.50 32.18 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 -2.00 0.58 0.31 0.54 4.71 -1.26 -3.46 120.64 120.06 1wlo n GLU 92 Ca 0.04 0.46 0.19 0.00 -0.01 0.00 0.00 57.16 57.85 1wlo n GLU 92 Cb 0.31 -1.65 1.07 0.00 -1.01 0.00 0.00 31.44 30.15 1wlo n GLU 92 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wlo h ALA 93 N -0.66 1.26 0.05 0.62 0.00 -1.95 0.24 119.26 118.82 1wlo h ALA 93 Ca -0.48 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.27 1wlo h ALA 93 Cb 1.43 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.24 1wlo h ALA 93 CO -0.29 -0.05 -0.65 0.28 0.00 0.00 0.00 179.25 178.55 1wlo h VAL 94 N 0.00 1.47 -0.48 0.00 2.07 -1.63 -3.20 116.25 114.49 1wlo h VAL 94 Ca 0.01 -2.25 -0.10 0.00 0.82 0.00 0.00 66.70 65.18 1wlo h VAL 94 Cb 0.08 2.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 1wlo h VAL 94 CO -0.00 0.64 -0.11 -0.07 0.02 0.00 0.00 177.57 178.06 1wlo h LEU 95 N -0.25 0.86 -2.55 2.57 -0.00 -1.11 -1.89 115.31 112.95 1wlo h LEU 95 Ca -0.10 -0.27 0.01 0.00 -0.00 0.00 0.00 57.88 57.52 1wlo h LEU 95 Cb 1.41 -0.23 -0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1wlo h LEU 95 CO 0.12 0.99 0.14 -0.33 -0.00 0.00 0.00 178.44 179.36 1wlo h GLU 96 N 0.78 0.00 -6.26 1.13 4.39 -0.66 -3.40 114.58 110.56 1wlo h GLU 96 Ca 0.13 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.28 1wlo h GLU 96 Cb 0.62 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1wlo h GLU 96 CO 0.04 0.00 1.16 0.08 -1.16 0.00 0.00 179.01 179.13 1wlo s VAL 97 N -4.19 3.47 0.86 3.13 1.01 -0.44 -4.40 120.40 119.84 1wlo s VAL 97 Ca -0.04 0.55 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 1wlo s VAL 97 Cb 0.12 -3.41 0.11 0.00 0.00 0.00 0.00 36.38 33.20 1wlo s VAL 97 CO 0.38 -0.11 1.12 -2.16 0.00 0.00 0.00 175.10 174.33 1wlo s PRO 98 N 4.47 1.52 0.00 2.72 0.04 -1.26 -4.92 135.00 137.57 1wlo s PRO 98 Ca 0.78 0.43 0.24 0.00 0.04 0.00 0.00 61.00 62.48 1wlo s PRO 98 Cb -0.33 -1.87 1.42 0.00 0.04 0.00 0.00 34.50 33.76 1wlo s PRO 98 CO 0.32 -1.96 1.79 -0.35 0.04 0.00 0.00 177.00 176.84 1wlo n PRO 99 N -3.63 0.75 -2.85 0.56 -0.04 -1.26 -3.35 135.00 125.18 1wlo n PRO 99 Ca 0.07 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.41 1wlo n PRO 99 Cb 0.58 -1.49 0.02 0.00 -0.04 0.00 0.00 33.50 32.56 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 2.19 0.00 0.55 0.00 -1.26 -4.86 105.19 102.32 1wlo n GLY 100 Ca 0.18 -1.31 0.09 0.00 0.00 0.00 0.00 46.02 44.98 1wlo n GLY 100 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1wlo n PHE 101 N 0.04 0.00 0.38 1.61 1.16 -1.21 -2.50 117.46 116.94 1wlo n PHE 101 Ca 0.14 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.76 1wlo n PHE 101 Cb 0.76 0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.66 1wlo n PHE 101 CO 0.00 0.00 0.00 2.48 -1.87 0.00 0.00 176.76 177.37 1wlo n TYR 102 N -0.79 0.00 0.07 2.97 4.11 -1.26 -4.66 117.16 117.60 1wlo n TYR 102 Ca 0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.90 1wlo n TYR 102 Cb 0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.34 1wlo n TYR 102 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1wlo h ARG 103 N 1.53 -0.51 -2.55 -3.48 3.08 -1.89 -2.39 114.38 108.17 1wlo h ARG 103 Ca 0.00 0.03 -0.31 0.00 0.07 0.00 0.00 59.98 59.77 1wlo h ARG 103 Cb 0.35 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 1wlo h ARG 103 CO 0.00 -0.34 1.15 0.41 -1.07 0.00 0.00 179.97 180.12 1wlo n GLY 104 N -1.43 3.11 0.00 0.04 0.00 -1.26 -4.73 105.19 100.92 1wlo n GLY 104 Ca -0.06 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 3.05 -0.31 -2.95 1.61 4.01 -0.90 -4.96 117.16 116.71 1wlo n TYR 105 Ca 0.47 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.97 1wlo n TYR 105 Cb 0.55 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.55 1wlo n TYR 105 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wlo n GLY 106 N 0.00 5.04 0.11 2.72 0.00 -1.26 -4.76 105.19 107.04 1wlo n GLY 106 Ca 0.00 -2.48 -0.12 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.14 0.93 -0.11 0.99 4.77 -1.26 -4.31 117.00 117.87 1wlo n LEU 107 Ca 0.30 -0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 56.23 1wlo n LEU 107 Cb 0.49 0.06 0.19 0.00 -2.33 0.00 0.00 43.42 41.82 1wlo n LEU 107 CO 0.31 0.62 0.93 -0.08 -1.33 0.00 0.00 177.39 177.84 1wlo h GLU 108 N 0.00 0.78 -0.44 3.23 4.22 -1.86 -0.17 114.58 120.35 1wlo h GLU 108 Ca -0.54 -0.18 0.13 0.00 0.08 0.00 0.00 59.36 58.85 1wlo h GLU 108 Cb 2.14 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 31.26 1wlo h GLU 108 CO 0.00 0.75 0.66 0.93 -2.18 0.00 0.00 179.01 179.18 1wlo h GLU 109 N 0.74 0.00 0.00 1.92 5.08 -1.93 -1.96 114.58 118.43 1wlo h GLU 109 Ca 0.16 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.19 1wlo h GLU 109 Cb 0.37 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1wlo h GLU 109 CO 0.01 0.00 -2.11 1.19 -1.00 0.00 0.00 179.01 177.10 1wlo n PHE 110 N -3.32 0.00 -3.17 4.33 3.72 -0.75 -4.93 117.46 113.33 1wlo n PHE 110 Ca 0.09 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.08 1wlo n PHE 110 Cb 0.83 -0.72 -0.07 0.00 -0.94 0.00 0.00 39.48 38.58 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 -2.37 3.22 1.01 1.38 0.08 -0.15 -5.05 117.98 116.11 1wlo s PHE 111 Ca -0.28 0.50 -0.14 0.00 0.12 0.00 0.00 56.93 57.14 1wlo s PHE 111 Cb 0.10 -2.92 0.08 0.00 -0.57 0.00 0.00 43.02 39.72 1wlo s PHE 111 CO 0.36 -0.45 0.39 0.25 -0.10 0.00 0.00 175.22 175.67 1wlo n THR 112 N 5.35 0.00 0.23 0.64 -2.24 -1.26 -4.34 114.28 112.67 1wlo n THR 112 Ca -0.03 -0.22 0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1wlo n THR 112 Cb 0.49 -0.67 0.39 0.00 -2.10 0.00 0.00 70.33 68.44 1wlo n THR 112 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1wlo h PRO 113 N -1.81 0.00 0.00 -0.78 0.13 -1.97 -0.92 132.00 126.66 1wlo h PRO 113 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1wlo h PRO 113 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1wlo h PRO 113 CO 0.37 0.10 -0.00 -0.07 -0.23 0.00 0.00 178.00 178.16 1wlo h LEU 114 N 0.00 -0.00 -0.61 1.56 -0.00 -2.01 -3.24 115.31 111.00 1wlo h LEU 114 Ca -0.00 -0.89 -0.05 0.00 -0.00 0.00 0.00 57.88 56.94 1wlo h LEU 114 Cb 0.82 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.46 1wlo h LEU 114 CO 0.01 0.93 0.20 0.03 -0.00 0.00 0.00 178.44 179.62 1wlo h ARG 115 N -0.98 0.94 -0.68 1.13 3.08 -1.92 -2.83 114.38 113.12 1wlo h ARG 115 Ca -0.00 -0.19 0.14 0.00 0.07 0.00 0.00 59.98 59.99 1wlo h ARG 115 Cb 0.90 -0.14 -0.13 0.00 0.08 0.00 0.00 29.97 30.68 1wlo h ARG 115 CO 0.00 0.83 -0.20 -0.07 -1.07 0.00 0.00 179.97 179.46 1wlo h LEU 116 N 0.86 -0.72 -1.78 3.04 3.38 -1.28 1.33 115.31 120.14 1wlo h LEU 116 Ca 0.20 0.21 0.25 0.00 0.09 0.00 0.00 57.88 58.63 1wlo h LEU 116 Cb 0.27 0.45 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 1wlo h LEU 116 CO -0.01 -0.24 0.65 0.03 0.09 0.00 0.00 178.44 178.95 1wlo h ARG 117 N -0.02 0.16 0.00 1.13 3.08 -1.52 1.27 114.38 118.47 1wlo h ARG 117 Ca 0.32 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1wlo h ARG 117 Cb 0.52 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1wlo h ARG 117 CO -0.72 0.11 -0.55 0.78 -1.07 0.00 0.00 179.97 178.52 1wlo h GLY 118 N 0.17 0.00 0.00 0.04 0.00 0.15 -3.31 103.07 100.12 1wlo h GLY 118 Ca 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.73 1wlo h GLY 118 CO -0.09 0.00 -0.52 1.41 0.00 0.00 0.00 176.54 177.34 1wlo h LEU 119 N 0.00 0.00 -0.99 3.11 3.38 0.43 -3.29 115.31 117.96 1wlo h LEU 119 Ca 0.00 -0.35 0.35 0.00 0.09 0.00 0.00 57.88 57.97 1wlo h LEU 119 Cb 0.93 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.51 1wlo h LEU 119 CO 0.00 0.97 0.41 -0.33 0.09 0.00 0.00 178.44 179.57 1wlo h GLU 120 N -1.00 0.07 -0.92 1.13 4.39 0.39 0.67 114.58 119.31 1wlo h GLU 120 Ca -0.10 -0.00 0.18 0.00 0.34 0.00 0.00 59.36 59.78 1wlo h GLU 120 Cb 0.73 -0.02 -0.17 0.00 -0.10 0.00 0.00 28.75 29.19 1wlo h GLU 120 CO -0.06 0.05 -0.24 0.00 -1.16 0.00 0.00 179.01 177.60 1wlo h ALA 121 N 1.95 0.59 -0.82 3.43 0.00 -1.70 0.75 119.26 123.46 1wlo h ALA 121 Ca 0.75 0.36 0.19 0.00 0.00 0.00 0.00 54.91 56.20 1wlo h ALA 121 Cb 1.83 0.71 -0.16 0.00 0.00 0.00 0.00 17.79 20.17 1wlo h ALA 121 CO -0.77 -0.40 -0.12 0.00 0.00 0.00 0.00 179.25 177.96 1wlo n ALA 122 N -3.50 0.28 0.07 0.00 0.00 0.23 0.24 120.51 117.83 1wlo n ALA 122 Ca 0.14 0.90 -0.03 0.00 0.00 0.00 0.00 53.44 54.45 1wlo n ALA 122 Cb 0.46 -0.58 -0.01 0.00 0.00 0.00 0.00 19.45 19.32 1wlo n ALA 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wlo h LEU 123 N 0.00 -0.15 -0.95 0.00 5.85 0.38 0.13 115.31 120.57 1wlo h LEU 123 Ca 0.43 0.01 0.18 0.00 0.84 0.00 0.00 57.88 59.34 1wlo h LEU 123 Cb 0.76 0.04 -0.17 0.00 0.37 0.00 0.00 40.66 41.66 1wlo h LEU 123 CO -0.82 -0.07 -0.29 -0.07 -0.34 0.00 0.00 178.44 176.85 1wlo h LEU 124 N -0.24 -1.06 0.29 2.25 -0.00 -0.49 0.94 115.31 117.00 1wlo h LEU 124 Ca -0.02 0.29 -0.01 0.00 -0.00 0.00 0.00 57.88 58.14 1wlo h LEU 124 Cb 0.14 0.64 -0.01 0.00 -0.00 0.00 0.00 40.66 41.43 1wlo h LEU 124 CO 0.03 -0.31 -0.23 -0.09 -0.00 0.00 0.00 178.44 177.84 1wlo h ARG 125 N -0.01 -0.48 -0.56 1.13 2.43 0.31 0.27 114.38 117.47 1wlo h ARG 125 Ca 0.42 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.71 1wlo h ARG 125 Cb 0.66 0.11 -0.11 0.00 -0.42 0.00 0.00 29.97 30.22 1wlo h ARG 125 CO -0.97 -0.32 -0.41 -0.07 -1.51 0.00 0.00 179.97 176.69 1wlo h LEU 126 N -0.50 -1.39 -1.54 3.80 3.38 0.94 0.96 115.31 120.97 1wlo h LEU 126 Ca -0.04 0.24 0.28 0.00 0.09 0.00 0.00 57.88 58.45 1wlo h LEU 126 Cb 0.42 0.64 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 1wlo h LEU 126 CO 0.01 -0.33 0.71 1.56 0.09 0.00 0.00 178.44 180.47 1wlo h GLN 127 N -0.22 0.27 -0.23 1.13 4.20 0.98 1.43 115.11 122.67 1wlo h GLN 127 Ca 0.19 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 1wlo h GLN 127 Cb 0.56 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1wlo h GLN 127 CO -0.67 0.18 -0.16 0.00 -0.67 0.00 0.00 178.83 177.51 1wlo h ALA 128 N 1.57 1.31 0.05 3.87 0.00 0.31 -0.54 119.26 125.83 1wlo h ALA 128 Ca 0.58 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 1wlo h ALA 128 Cb 1.69 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.38 1wlo h ALA 128 CO -0.22 0.46 -0.58 1.96 0.00 0.00 0.00 179.25 180.88 1wlo h GLN 129 N 0.36 0.31 -0.16 0.00 4.20 0.27 -3.28 115.11 116.81 1wlo h GLN 129 Ca 0.07 -0.39 0.04 0.00 0.06 0.00 0.00 58.65 58.42 1wlo h GLN 129 Cb 0.49 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 1wlo h GLN 129 CO 0.03 1.11 -0.09 0.28 -0.67 0.00 0.00 178.83 179.49 1wlo h VAL 130 N -0.31 0.71 -1.30 -0.54 2.07 -0.49 0.01 116.25 116.40 1wlo h VAL 130 Ca -0.08 0.00 0.39 0.00 0.82 0.00 0.00 66.70 67.82 1wlo h VAL 130 Cb 1.35 0.71 -0.10 0.00 -1.52 0.00 0.00 31.29 31.74 1wlo h VAL 130 CO 0.11 0.00 0.88 0.03 0.02 0.00 0.00 177.57 178.61 1wlo h ARG 131 N -0.09 0.13 -0.70 1.57 3.08 -1.19 1.56 114.38 118.75 1wlo h ARG 131 Ca 0.09 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1wlo h ARG 131 Cb 0.22 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1wlo h ARG 131 CO -0.21 0.09 0.29 0.87 -1.07 0.00 0.00 179.97 179.94 1wlo h LYS 132 N 0.14 1.03 -0.66 0.04 1.79 -1.05 -1.73 116.57 116.13 1wlo h LYS 132 Ca 0.72 -0.18 0.06 0.00 -2.18 0.00 0.00 60.65 59.07 1wlo h LYS 132 Cb 2.38 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 32.82 1wlo h LYS 132 CO -0.25 0.84 0.44 0.00 -1.08 0.00 0.00 179.45 179.40 1wlo h ALA 133 N 1.14 1.73 -0.78 3.86 0.00 0.23 0.63 119.26 126.07 1wlo h ALA 133 Ca 0.23 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.21 1wlo h ALA 133 Cb 0.19 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1wlo h ALA 133 CO -0.02 0.17 0.43 -0.07 0.00 0.00 0.00 179.25 179.76 1wlo h LEU 134 N 0.70 0.61 -3.28 0.00 3.38 -0.91 0.13 115.31 115.93 1wlo h LEU 134 Ca 0.28 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1wlo h LEU 134 Cb 0.22 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1wlo h LEU 134 CO -0.09 0.35 0.00 0.35 0.09 0.00 0.00 178.44 179.14 1wlo n THR 135 N -4.78 2.18 -0.61 0.22 -2.24 -0.18 -5.14 114.28 103.73 1wlo n THR 135 Ca 0.12 -1.44 0.00 0.00 -2.27 0.00 0.00 64.05 60.46 1wlo n THR 135 Cb 0.27 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1wlo n THR 135 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26