#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9k n ALA 0 N 0.00 3.44 -1.56 5.20 0.00 -1.26 -4.90 120.51 121.43 1y9k n ALA 0 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1y9k n ALA 0 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1y9k n ALA 0 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1y9k n SER 2 N 1.57 -8.43 -4.75 0.00 7.64 -1.26 -4.62 113.62 103.77 1y9k n SER 2 Ca 0.00 1.83 -0.41 0.00 1.01 0.00 0.00 58.87 61.30 1y9k n SER 2 Cb 0.40 -5.04 -0.02 0.00 -1.01 0.00 0.00 64.21 58.54 1y9k n SER 2 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1y9k s VAL 3 N -5.30 2.52 -0.15 0.44 1.01 -1.26 -4.66 120.40 112.99 1y9k s VAL 3 Ca 0.00 0.45 -0.00 0.00 0.00 0.00 0.00 61.98 62.43 1y9k s VAL 3 Cb 0.00 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 1y9k s VAL 3 CO 0.00 0.08 -0.13 -0.69 0.00 0.00 0.00 175.10 174.36 1y9k s VAL 4 N -0.26 2.93 -0.26 2.92 1.01 0.21 -4.96 120.40 122.00 1y9k s VAL 4 Ca 0.58 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1y9k s VAL 4 Cb -0.43 -2.24 0.05 0.00 0.00 0.00 0.00 36.38 33.75 1y9k s VAL 4 CO 0.47 0.51 -0.08 -0.63 0.00 0.00 0.00 175.10 175.38 1y9k s ILE 5 N 0.61 2.56 0.04 2.22 1.01 -1.26 -0.01 121.20 126.36 1y9k s ILE 5 Ca -0.08 -1.36 0.04 0.00 0.00 0.00 0.00 60.65 59.25 1y9k s ILE 5 Cb -0.16 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 1y9k s ILE 5 CO 0.03 0.05 -0.11 -1.83 0.00 0.00 0.00 174.94 173.08 1y9k s GLU 6 N 1.21 0.73 0.28 2.79 -1.05 -0.56 -4.94 118.70 117.17 1y9k s GLU 6 Ca -0.05 -0.72 -0.30 0.00 -0.15 0.00 0.00 54.97 53.76 1y9k s GLU 6 Cb -0.19 -0.67 -0.11 0.00 -0.44 0.00 0.00 34.13 32.72 1y9k s GLU 6 CO -0.04 0.16 1.59 0.50 0.95 0.00 0.00 175.26 178.42 1y9k s ARG 7 N -1.23 4.13 0.15 -4.83 6.06 -1.26 -1.28 118.95 120.69 1y9k s ARG 7 Ca -0.02 2.56 0.08 0.00 -2.50 0.00 0.00 55.73 55.85 1y9k s ARG 7 Cb -0.08 -3.03 -0.04 0.00 0.06 0.00 0.00 34.95 31.86 1y9k s ARG 7 CO 0.01 -0.63 -0.10 0.96 -2.50 0.00 0.00 175.30 173.04 1y9k s ILE 8 N 0.08 3.23 0.45 4.11 -5.25 -0.17 -4.89 121.20 118.75 1y9k s ILE 8 Ca 0.64 -1.51 -0.23 0.00 -0.99 0.00 0.00 60.65 58.56 1y9k s ILE 8 Cb -0.48 -2.56 -0.08 0.00 2.95 0.00 0.00 42.46 42.30 1y9k s ILE 8 CO 0.47 -0.01 1.15 -2.16 -1.79 0.00 0.00 174.94 172.60 1y9k s PRO 9 N -2.56 3.83 0.31 0.37 0.04 -1.26 -4.55 135.00 131.18 1y9k s PRO 9 Ca 0.23 1.76 0.08 0.00 0.04 0.00 0.00 61.00 63.11 1y9k s PRO 9 Cb -0.10 -2.45 0.92 0.00 0.04 0.00 0.00 34.50 32.91 1y9k s PRO 9 CO 0.14 -0.49 1.46 1.63 0.04 0.00 0.00 177.00 179.79 1y9k n LYS 10 N -0.39 -0.07 0.26 4.56 5.02 -1.26 0.01 118.16 126.30 1y9k n LYS 10 Ca 0.07 1.35 0.11 0.00 -2.02 0.00 0.00 58.31 57.82 1y9k n LYS 10 Cb 0.48 -2.25 0.71 0.00 -0.02 0.00 0.00 35.03 33.95 1y9k n LYS 10 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1y9k h GLU 11 N 0.00 0.00 -0.71 1.97 3.07 -1.98 -3.10 114.58 113.82 1y9k h GLU 11 Ca 0.65 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 59.38 1y9k h GLU 11 Cb 1.51 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.35 1y9k h GLU 11 CO -0.82 0.08 0.17 0.00 -1.40 0.00 0.00 179.01 177.04 1y9k n ALA 12 N -2.40 4.24 -1.77 3.43 0.00 0.10 -5.01 120.51 119.10 1y9k n ALA 12 Ca -0.03 -2.04 -0.41 0.00 0.00 0.00 0.00 53.44 50.96 1y9k n ALA 12 Cb 0.17 -1.20 -0.00 0.00 0.00 0.00 0.00 19.45 18.41 1y9k n ALA 12 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1y9k n ILE 13 N 0.15 1.93 -2.32 0.00 -5.35 -1.18 -4.88 119.36 107.71 1y9k n ILE 13 Ca 0.34 -0.48 -0.35 0.00 -0.27 0.00 0.00 62.75 61.99 1y9k n ILE 13 Cb 1.27 -1.95 -0.03 0.00 -1.74 0.00 0.00 39.64 37.19 1y9k n ILE 13 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1y9k s PRO 14 N -1.97 3.21 0.21 6.28 0.04 -1.26 -4.84 135.00 136.66 1y9k s PRO 14 Ca 0.54 -1.50 -0.10 0.00 0.04 0.00 0.00 61.00 59.98 1y9k s PRO 14 Cb -0.48 -5.37 0.30 0.00 0.04 0.00 0.00 34.50 28.99 1y9k s PRO 14 CO 0.63 -3.12 1.69 0.87 0.04 0.00 0.00 177.00 177.11 1y9k h LYS 15 N 8.84 0.20 -0.38 4.56 1.57 -1.99 -1.29 116.57 128.09 1y9k h LYS 15 Ca 0.31 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.99 1y9k h LYS 15 Cb 0.91 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1y9k h LYS 15 CO 1.34 0.13 -0.15 0.77 -0.57 0.00 0.00 179.45 180.97 1y9k h SER 16 N 0.21 0.68 -0.36 0.86 0.02 -1.99 -1.11 113.55 111.86 1y9k h SER 16 Ca 0.32 -0.21 -0.11 0.00 -0.84 0.00 0.00 61.79 60.95 1y9k h SER 16 Cb 0.50 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1y9k h SER 16 CO -0.45 0.85 -0.17 0.25 -1.14 0.00 0.00 176.83 176.17 1y9k h LEU 17 N 0.62 0.83 -0.66 5.07 5.85 -1.74 -2.70 115.31 122.58 1y9k h LEU 17 Ca 0.10 -0.28 -0.14 0.00 0.84 0.00 0.00 57.88 58.40 1y9k h LEU 17 Cb 0.61 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1y9k h LEU 17 CO 0.04 1.00 -0.50 -0.07 -0.34 0.00 0.00 178.44 178.57 1y9k h LEU 18 N 0.73 0.47 -1.43 2.25 3.38 -0.93 -3.09 115.31 116.70 1y9k h LEU 18 Ca 0.11 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1y9k h LEU 18 Cb 0.68 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1y9k h LEU 18 CO 0.05 0.89 -0.28 -0.07 0.09 0.00 0.00 178.44 179.13 1y9k h LEU 19 N 0.34 0.02 -0.69 1.67 3.38 -1.08 -1.36 115.31 117.60 1y9k h LEU 19 Ca 0.02 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.08 1y9k h LEU 19 Cb 1.00 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.67 1y9k h LEU 19 CO 0.09 0.29 0.32 -0.07 0.09 0.00 0.00 178.44 179.16 1y9k h LEU 20 N 0.02 0.38 0.12 1.67 4.07 -1.40 -3.08 115.31 117.09 1y9k h LEU 20 Ca 0.00 0.07 -0.29 0.00 0.08 0.00 0.00 57.88 57.74 1y9k h LEU 20 Cb 0.50 0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.25 1y9k h LEU 20 CO 0.04 0.21 -1.39 0.00 -1.08 0.00 0.00 178.44 176.21 1y9k h ALA 21 N 1.44 0.18 -2.26 1.53 0.00 -1.52 -3.44 119.26 115.20 1y9k h ALA 21 Ca 0.35 -1.00 -0.34 0.00 0.00 0.00 0.00 54.91 53.92 1y9k h ALA 21 Cb 0.41 0.15 -0.34 0.00 0.00 0.00 0.00 17.79 18.01 1y9k h ALA 21 CO -0.30 1.05 -0.64 0.34 0.00 0.00 0.00 179.25 179.70 1y9k s ASP 22 N -7.07 1.76 0.00 0.00 -1.08 -0.56 -5.02 116.67 104.71 1y9k s ASP 22 Ca -0.06 -0.70 0.02 0.00 -0.52 0.00 0.00 52.55 51.29 1y9k s ASP 22 Cb 0.07 0.43 0.08 0.00 -1.46 0.00 0.00 42.92 42.03 1y9k s ASP 22 CO 0.87 -0.38 0.84 -2.65 0.52 0.00 0.00 175.17 174.36 1y9k n PRO 23 N 5.31 0.02 -3.61 4.34 -0.02 -1.20 -4.16 135.00 135.68 1y9k n PRO 23 Ca -0.03 0.26 -0.40 0.00 -2.02 0.00 0.00 63.50 61.31 1y9k n PRO 23 Cb 0.47 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.33 1y9k n PRO 23 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1y9k s SER 24 N -2.54 5.69 0.16 2.55 0.15 -1.26 -4.97 113.70 113.48 1y9k s SER 24 Ca 0.01 -0.81 -0.15 0.00 0.70 0.00 0.00 55.95 55.70 1y9k s SER 24 Cb 0.01 -2.02 0.05 0.00 -1.71 0.00 0.00 66.02 62.34 1y9k s SER 24 CO 0.02 -0.32 1.82 -0.33 1.20 0.00 0.00 173.24 175.63 1y9k h GLU 25 N 8.41 0.56 -0.27 5.44 5.08 -2.00 -1.37 114.58 130.43 1y9k h GLU 25 Ca -0.28 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.10 1y9k h GLU 25 Cb 1.12 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 30.17 1y9k h GLU 25 CO 0.65 0.37 -0.47 -0.09 -1.00 0.00 0.00 179.01 178.47 1y9k h ARG 26 N 0.57 -0.42 -0.43 2.33 2.43 -1.98 -1.08 114.38 115.81 1y9k h ARG 26 Ca 0.17 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 1y9k h ARG 26 Cb -0.03 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1y9k h ARG 26 CO -0.06 -0.28 0.08 1.96 -1.51 0.00 0.00 179.97 180.16 1y9k h GLN 27 N -0.44 0.65 -0.21 0.20 4.20 -1.94 -2.51 115.11 115.05 1y9k h GLN 27 Ca 0.09 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1y9k h GLN 27 Cb 0.62 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1y9k h GLN 27 CO -0.50 0.61 0.10 0.82 -0.67 0.00 0.00 178.83 179.20 1y9k h ILE 28 N 0.63 1.13 -0.97 2.54 2.04 -0.92 -3.11 117.51 118.85 1y9k h ILE 28 Ca 0.14 -0.37 0.11 0.00 1.00 0.00 0.00 64.86 65.74 1y9k h ILE 28 Cb 0.28 0.99 -0.08 0.00 -0.74 0.00 0.00 36.82 37.27 1y9k h ILE 28 CO 0.00 0.13 0.62 0.00 0.00 0.00 0.00 178.15 178.90 1y9k h ALA 29 N 0.97 1.56 0.12 1.87 0.00 -0.77 -1.27 119.26 121.74 1y9k h ALA 29 Ca 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1y9k h ALA 29 Cb 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1y9k h ALA 29 CO -0.01 0.21 -0.06 1.15 0.00 0.00 0.00 179.25 180.54 1y9k h THR 30 N 0.96 0.97 0.00 0.00 2.02 -1.43 -1.73 112.91 113.71 1y9k h THR 30 Ca 0.47 -0.34 -0.17 0.00 0.77 0.00 0.00 66.41 67.14 1y9k h THR 30 Cb 0.46 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1y9k h THR 30 CO -0.23 0.08 -0.81 0.10 0.37 0.00 0.00 175.52 175.03 1y9k h TYR 31 N -0.32 0.00 -0.16 3.16 -0.00 -1.46 -2.73 116.97 115.47 1y9k h TYR 31 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.60 1y9k h TYR 31 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.98 1y9k h TYR 31 CO -0.02 0.81 -0.39 -0.39 -0.00 0.00 0.00 178.16 178.17 1y9k h VAL 32 N 0.00 1.30 -0.67 -0.90 -1.51 -1.28 0.82 116.25 114.01 1y9k h VAL 32 Ca -0.01 -1.50 -0.06 0.00 -1.23 0.00 0.00 66.70 63.89 1y9k h VAL 32 Cb 1.52 1.61 -0.03 0.00 -2.13 0.00 0.00 31.29 32.26 1y9k h VAL 32 CO 0.11 0.46 0.16 -0.61 -1.23 0.00 0.00 177.57 176.45 1y9k h GLN 33 N 0.30 1.06 0.00 5.19 5.75 -1.28 -3.15 115.11 122.99 1y9k h GLN 33 Ca 0.03 -0.24 -0.07 0.00 -0.15 0.00 0.00 58.65 58.21 1y9k h GLN 33 Cb 0.82 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.22 1y9k h GLN 33 CO 0.07 0.93 -1.19 0.54 -2.65 0.00 0.00 178.83 176.53 1y9k n ARG 34 N -4.24 0.61 -1.19 1.69 1.74 -1.03 -5.01 116.66 109.23 1y9k n ARG 34 Ca 0.05 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 1y9k n ARG 34 Cb 0.25 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 1y9k n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y9k n GLY 35 N 1.27 2.54 3.07 -0.13 0.00 0.28 -4.81 105.19 107.41 1y9k n GLY 35 Ca -0.04 -2.14 -0.32 0.00 0.00 0.00 0.00 46.02 43.52 1y9k n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y9k s LEU 36 N 0.00 2.09 -0.16 0.99 1.43 0.31 -4.84 118.68 118.51 1y9k s LEU 36 Ca 0.00 -0.68 -0.06 0.00 -1.03 0.00 0.00 54.13 52.37 1y9k s LEU 36 Cb 0.00 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 1y9k s LEU 36 CO 0.00 -0.05 0.03 -0.89 0.23 0.00 0.00 176.35 175.67 1y9k s THR 37 N 1.36 4.49 -0.10 5.49 2.01 -1.26 -0.50 115.64 127.12 1y9k s THR 37 Ca 0.03 -0.15 0.03 0.00 0.31 0.00 0.00 61.69 61.92 1y9k s THR 37 Cb -0.14 -2.99 0.01 0.00 0.01 0.00 0.00 72.50 69.39 1y9k s THR 37 CO -0.11 0.49 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.80 1y9k s TYR 38 N 0.17 2.26 -0.02 4.92 1.51 0.19 -1.00 117.35 125.38 1y9k s TYR 38 Ca 0.02 -0.95 0.03 0.00 -1.01 0.00 0.00 57.07 55.16 1y9k s TYR 38 Cb -0.13 -1.55 -0.03 0.00 -0.11 0.00 0.00 41.96 40.14 1y9k s TYR 38 CO 0.01 -0.41 -0.07 0.14 -1.11 0.00 0.00 175.55 174.11 1y9k s VAL 39 N 0.53 3.63 -0.09 0.71 -7.23 -0.40 -1.04 120.40 116.50 1y9k s VAL 39 Ca -0.15 -0.69 -0.18 0.00 -1.81 0.00 0.00 61.98 59.14 1y9k s VAL 39 Cb -0.17 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1y9k s VAL 39 CO 0.06 0.46 0.50 0.00 -0.31 0.00 0.00 175.10 175.80 1y9k s ALA 40 N -0.93 3.49 0.15 1.32 0.00 -0.42 -1.50 121.76 123.87 1y9k s ALA 40 Ca 0.15 -0.15 0.10 0.00 0.00 0.00 0.00 51.96 52.06 1y9k s ALA 40 Cb -0.11 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 1y9k s ALA 40 CO 0.05 0.07 -0.21 0.15 0.00 0.00 0.00 175.76 175.82 1y9k s LYS 41 N 0.35 1.32 -0.03 0.00 1.02 0.99 -0.81 119.74 122.57 1y9k s LYS 41 Ca 0.27 -1.38 -0.01 0.00 0.02 0.00 0.00 55.97 54.87 1y9k s LYS 41 Cb -0.16 -1.55 0.03 0.00 -0.52 0.00 0.00 37.83 35.63 1y9k s LYS 41 CO 0.12 0.34 0.04 -1.14 -0.92 0.00 0.00 175.35 173.79 1y9k s GLN 42 N -2.47 -0.00 -1.40 1.68 -0.44 -0.32 -0.62 119.66 116.10 1y9k s GLN 42 Ca 0.15 0.29 -0.02 0.00 -2.50 0.00 0.00 55.36 53.27 1y9k s GLN 42 Cb -0.08 -0.45 0.01 0.00 -1.64 0.00 0.00 33.01 30.85 1y9k s GLN 42 CO 0.07 -0.27 0.18 0.41 0.50 0.00 0.00 175.29 176.18 1y9k n GLY 43 N 4.87 -0.50 2.12 2.59 0.00 -1.26 -2.18 105.19 110.82 1y9k n GLY 43 Ca -0.13 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1y9k n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y9k n GLY 44 N -1.05 1.26 3.64 -0.02 0.00 -1.26 -5.03 105.19 102.73 1y9k n GLY 44 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1y9k n GLY 44 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y9k s SER 45 N -3.13 5.55 0.12 1.61 0.15 -0.93 -5.03 113.70 112.04 1y9k s SER 45 Ca 0.00 0.09 -0.31 0.00 0.70 0.00 0.00 55.95 56.43 1y9k s SER 45 Cb 0.00 -1.91 -0.09 0.00 -1.71 0.00 0.00 66.02 62.31 1y9k s SER 45 CO 0.00 0.21 1.60 -0.69 1.20 0.00 0.00 173.24 175.56 1y9k s VAL 46 N 0.18 2.83 0.00 4.45 1.01 -1.26 -1.17 120.40 126.43 1y9k s VAL 46 Ca 0.04 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1y9k s VAL 46 Cb -0.12 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1y9k s VAL 46 CO 0.01 0.02 0.00 2.30 0.00 0.00 0.00 175.10 177.43 1y9k n ILE 47 N 4.31 0.00 -3.62 2.22 -5.35 0.01 -4.89 119.36 112.04 1y9k n ILE 47 Ca 0.15 -0.32 -0.02 0.00 -0.27 0.00 0.00 62.75 62.28 1y9k n ILE 47 Cb 0.39 0.99 -0.01 0.00 -1.74 0.00 0.00 39.64 39.28 1y9k n ILE 47 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1y9k s GLY 48 N -0.66 -0.35 -0.05 3.28 0.00 -1.17 -0.86 107.32 107.51 1y9k s GLY 48 Ca 0.00 0.94 -0.28 0.00 0.00 0.00 0.00 44.72 45.38 1y9k s GLY 48 CO 0.00 0.26 0.63 0.54 0.00 0.00 0.00 173.10 174.53 1y9k s VAL 49 N -2.62 0.01 -0.02 1.40 0.11 -0.07 -1.30 120.40 117.90 1y9k s VAL 49 Ca 0.11 -0.07 -0.13 0.00 -2.93 0.00 0.00 61.98 58.97 1y9k s VAL 49 Cb 0.01 -0.94 0.02 0.00 -1.53 0.00 0.00 36.38 33.94 1y9k s VAL 49 CO -0.04 -0.04 0.27 -0.72 -3.33 0.00 0.00 175.10 171.25 1y9k s TYR 50 N -1.13 -0.14 -0.12 1.54 -0.85 -0.21 -1.46 117.35 114.98 1y9k s TYR 50 Ca -0.11 0.21 0.02 0.00 -0.52 0.00 0.00 57.07 56.67 1y9k s TYR 50 Cb -0.01 0.06 -0.01 0.00 0.38 0.00 0.00 41.96 42.39 1y9k s TYR 50 CO 0.09 -0.35 -0.17 0.08 -1.52 0.00 0.00 175.55 173.68 1y9k s VAL 51 N -1.23 2.67 -0.10 -3.49 1.01 -0.49 -0.64 120.40 118.13 1y9k s VAL 51 Ca -0.13 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 1y9k s VAL 51 Cb -0.06 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1y9k s VAL 51 CO 0.03 0.54 0.03 -0.76 0.00 0.00 0.00 175.10 174.95 1y9k s LEU 52 N 0.31 3.74 -0.09 3.92 1.43 0.34 -3.91 118.68 124.43 1y9k s LEU 52 Ca -0.13 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1y9k s LEU 52 Cb -0.17 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.20 1y9k s LEU 52 CO 0.07 0.35 -0.10 -0.22 0.23 0.00 0.00 176.35 176.68 1y9k s LEU 53 N -0.73 1.43 -0.05 1.79 2.96 -0.02 -0.53 118.68 123.53 1y9k s LEU 53 Ca 0.12 -0.31 -0.30 0.00 -0.22 0.00 0.00 54.13 53.42 1y9k s LEU 53 Cb -0.12 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.69 1y9k s LEU 53 CO 0.02 -0.04 1.24 -0.70 -1.32 0.00 0.00 176.35 175.55 1y9k s GLU 54 N 1.20 4.33 0.00 1.98 2.12 -1.26 -0.27 118.70 126.81 1y9k s GLU 54 Ca -0.04 1.73 0.00 0.00 0.36 0.00 0.00 54.97 57.02 1y9k s GLU 54 Cb -0.14 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 30.68 1y9k s GLU 54 CO -0.03 -0.48 0.00 0.25 -0.54 0.00 0.00 175.26 174.46 1y9k n THR 55 N 4.66 0.00 -1.12 -1.70 -2.24 -0.27 -4.97 114.28 108.64 1y9k n THR 55 Ca 0.11 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.60 1y9k n THR 55 Cb 0.46 0.00 0.17 0.00 -2.10 0.00 0.00 70.33 68.86 1y9k n THR 55 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1y9k s ARG 56 N 1.23 0.61 0.22 -0.78 0.52 -1.26 -4.88 118.95 114.61 1y9k s ARG 56 Ca 0.00 0.67 -0.32 0.00 -0.52 0.00 0.00 55.73 55.57 1y9k s ARG 56 Cb 0.00 -1.75 -0.14 0.00 0.52 0.00 0.00 34.95 33.59 1y9k s ARG 56 CO 0.00 -2.65 1.38 -2.30 0.02 0.00 0.00 175.30 171.75 1y9k n PRO 57 N -4.14 1.88 -1.83 3.54 -0.02 -1.26 -1.56 135.00 131.60 1y9k n PRO 57 Ca 0.06 0.67 -0.15 0.00 -2.02 0.00 0.00 63.50 62.06 1y9k n PRO 57 Cb 0.56 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 1y9k n PRO 57 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1y9k n LYS 58 N 2.08 -1.62 -3.83 -0.52 4.76 -1.26 -4.91 118.16 112.85 1y9k n LYS 58 Ca 0.13 0.81 -0.23 0.00 -2.87 0.00 0.00 58.31 56.15 1y9k n LYS 58 Cb 0.30 -5.22 -0.04 0.00 -1.84 0.00 0.00 35.03 28.23 1y9k n LYS 58 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1y9k n THR 59 N -2.61 0.00 -3.62 -0.18 -1.04 -0.60 -0.63 114.28 105.59 1y9k n THR 59 Ca -0.16 -1.70 -0.12 0.00 -2.04 0.00 0.00 64.05 60.03 1y9k n THR 59 Cb 0.54 0.28 -0.07 0.00 -1.82 0.00 0.00 70.33 69.27 1y9k n THR 59 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1y9k s GLU 61 N -3.35 0.68 0.68 -2.82 2.12 0.63 -1.11 118.70 115.52 1y9k s GLU 61 Ca 0.03 0.72 -0.10 0.00 0.36 0.00 0.00 54.97 55.97 1y9k s GLU 61 Cb -0.00 0.33 0.01 0.00 0.26 0.00 0.00 34.13 34.73 1y9k s GLU 61 CO 0.02 -0.10 1.05 0.42 -0.54 0.00 0.00 175.26 176.11 1y9k s ILE 62 N 0.13 3.55 0.22 -3.70 1.01 0.79 -0.84 121.20 122.36 1y9k s ILE 62 Ca 0.01 0.38 -0.30 0.00 0.00 0.00 0.00 60.65 60.74 1y9k s ILE 62 Cb -0.04 -3.48 -0.16 0.00 0.01 0.00 0.00 42.46 38.79 1y9k s ILE 62 CO -0.02 -0.60 0.87 -3.20 0.00 0.00 0.00 174.94 171.99 1y9k n ASN 64 N -2.91 0.36 -3.69 3.58 2.85 -1.25 -4.40 115.26 109.81 1y9k n ASN 64 Ca 0.06 1.15 -0.10 0.00 -0.11 0.00 0.00 54.58 55.58 1y9k n ASN 64 Cb 0.57 -1.14 -0.11 0.00 1.24 0.00 0.00 39.78 40.34 1y9k n ASN 64 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1y9k s ILE 65 N -0.82 -0.12 -0.11 -1.44 2.07 -1.26 -1.40 121.20 118.12 1y9k s ILE 65 Ca 0.65 0.12 -0.15 0.00 -1.41 0.00 0.00 60.65 59.86 1y9k s ILE 65 Cb -0.84 -0.59 0.04 0.00 0.13 0.00 0.00 42.46 41.20 1y9k s ILE 65 CO 0.57 0.05 0.38 0.00 -1.91 0.00 0.00 174.94 174.03 1y9k s ALA 66 N 1.59 -0.95 0.05 1.50 0.00 -0.53 -4.78 121.76 118.64 1y9k s ALA 66 Ca -0.08 0.91 0.08 0.00 0.00 0.00 0.00 51.96 52.87 1y9k s ALA 66 Cb -0.09 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 1y9k s ALA 66 CO -0.12 -0.21 -0.21 0.08 0.00 0.00 0.00 175.76 175.30 1y9k s VAL 67 N -0.24 2.60 0.26 0.00 1.01 -1.26 -0.89 120.40 121.87 1y9k s VAL 67 Ca -0.04 -1.29 -0.30 0.00 0.00 0.00 0.00 61.98 60.35 1y9k s VAL 67 Cb -0.03 -2.09 -0.14 0.00 0.00 0.00 0.00 36.38 34.12 1y9k s VAL 67 CO 0.02 0.32 1.20 0.00 0.00 0.00 0.00 175.10 176.64 1y9k n ALA 68 N 1.52 0.29 -0.32 5.51 0.00 -0.04 -4.87 120.51 122.60 1y9k n ALA 68 Ca -0.16 0.41 0.09 0.00 0.00 0.00 0.00 53.44 53.77 1y9k n ALA 68 Cb 0.52 -2.13 0.25 0.00 0.00 0.00 0.00 19.45 18.09 1y9k n ALA 68 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1y9k h GLU 69 N 3.03 0.70 0.00 0.00 5.08 -1.99 -0.82 114.58 120.58 1y9k h GLU 69 Ca -0.43 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1y9k h GLU 69 Cb 1.31 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1y9k h GLU 69 CO 0.67 0.46 0.00 -2.39 -1.00 0.00 0.00 179.01 176.76 1y9k n HIS 70 N -4.80 0.00 -0.58 4.33 1.44 -1.26 -3.97 115.22 110.38 1y9k n HIS 70 Ca 0.19 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.97 1y9k n HIS 70 Cb 0.46 -0.10 0.18 0.00 0.12 0.00 0.00 29.99 30.65 1y9k n HIS 70 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1y9k n LEU 71 N -1.10 3.18 -4.82 2.39 4.77 -0.31 -5.02 117.00 116.09 1y9k n LEU 71 Ca 0.21 -2.53 -0.33 0.00 -0.03 0.00 0.00 56.01 53.33 1y9k n LEU 71 Cb 0.15 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 1y9k n LEU 71 CO 0.20 0.68 0.69 -1.10 -1.33 0.00 0.00 177.39 176.53 1y9k s GLN 72 N -1.94 3.87 0.00 3.23 -0.21 -1.25 -3.32 119.66 120.05 1y9k s GLN 72 Ca 0.30 1.17 0.00 0.00 0.02 0.00 0.00 55.36 56.85 1y9k s GLN 72 Cb 0.22 -2.12 0.00 0.00 1.00 0.00 0.00 33.01 32.11 1y9k s GLN 72 CO 0.10 -0.35 0.00 0.41 -2.12 0.00 0.00 175.29 173.33 1y9k n GLY 73 N -0.80 0.80 1.06 3.09 0.00 -1.26 -4.93 105.19 103.15 1y9k n GLY 73 Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.20 1y9k n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y9k n LYS 74 N -2.31 2.64 -0.87 1.61 4.76 -1.21 -4.96 118.16 117.82 1y9k n LYS 74 Ca 0.00 -2.35 0.00 0.00 -2.87 0.00 0.00 58.31 53.09 1y9k n LYS 74 Cb 0.00 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 1y9k n LYS 74 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1y9k n GLY 75 N 1.23 0.50 0.14 0.72 0.00 -1.26 -4.97 105.19 101.55 1y9k n GLY 75 Ca 0.19 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 1y9k n GLY 75 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1y9k h ILE 76 N 0.00 1.16 -0.53 -0.61 2.04 -1.93 -3.05 117.51 114.60 1y9k h ILE 76 Ca 0.00 -2.68 0.10 0.00 1.00 0.00 0.00 64.86 63.28 1y9k h ILE 76 Cb 0.00 2.90 -0.08 0.00 -0.74 0.00 0.00 36.82 38.90 1y9k h ILE 76 CO 0.00 0.84 0.03 1.23 0.00 0.00 0.00 178.15 180.25 1y9k h GLY 77 N 0.65 0.58 0.74 5.37 0.00 -1.94 0.94 103.07 109.41 1y9k h GLY 77 Ca -0.28 0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.15 1y9k h GLY 77 CO 0.22 -0.13 0.56 1.70 0.00 0.00 0.00 176.54 178.89 1y9k h LYS 78 N 0.15 1.00 -0.53 4.80 3.64 -1.98 -0.09 116.57 123.56 1y9k h LYS 78 Ca 0.27 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 1y9k h LYS 78 Cb 0.40 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1y9k h LYS 78 CO -0.42 0.66 0.14 0.87 -2.27 0.00 0.00 179.45 178.44 1y9k h LYS 79 N 1.03 0.84 -0.33 1.90 1.57 -1.11 -1.14 116.57 119.34 1y9k h LYS 79 Ca 0.39 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1y9k h LYS 79 Cb 0.15 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1y9k h LYS 79 CO -0.17 0.80 0.13 -0.07 -0.57 0.00 0.00 179.45 179.57 1y9k h LEU 80 N 0.74 0.45 -0.25 2.94 3.38 -0.48 -2.62 115.31 119.48 1y9k h LEU 80 Ca 0.17 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1y9k h LEU 80 Cb 0.32 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1y9k h LEU 80 CO 0.00 0.50 0.14 -0.07 0.09 0.00 0.00 178.44 179.10 1y9k h LEU 81 N 0.38 0.22 -1.31 1.67 3.38 -0.92 -0.76 115.31 117.97 1y9k h LEU 81 Ca 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1y9k h LEU 81 Cb 0.19 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1y9k h LEU 81 CO -0.01 0.17 0.01 0.03 0.09 0.00 0.00 178.44 178.73 1y9k h ARG 82 N 0.29 0.47 -0.17 1.13 -0.00 -1.20 -0.96 114.38 113.95 1y9k h ARG 82 Ca 0.10 -0.09 -0.21 0.00 -0.50 0.00 0.00 59.98 59.27 1y9k h ARG 82 Cb 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 29.97 29.90 1y9k h ARG 82 CO -0.05 0.49 -0.74 1.25 0.00 0.00 0.00 179.97 180.93 1y9k h HIS 83 N 0.46 1.03 -0.94 3.04 2.76 -1.28 -2.47 115.15 117.75 1y9k h HIS 83 Ca 0.10 -0.44 0.03 0.00 -2.20 0.00 0.00 60.37 57.86 1y9k h HIS 83 Cb 0.29 -0.17 -0.05 0.00 1.55 0.00 0.00 27.41 29.03 1y9k h HIS 83 CO 0.01 1.27 0.62 0.00 -1.30 0.00 0.00 177.93 178.53 1y9k h ALA 84 N 0.62 1.37 -0.02 5.26 0.00 -0.75 0.12 119.26 125.87 1y9k h ALA 84 Ca -0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1y9k h ALA 84 Cb 1.36 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1y9k h ALA 84 CO 0.15 0.55 0.01 0.28 0.00 0.00 0.00 179.25 180.24 1y9k h VAL 85 N 1.22 1.13 -0.41 0.00 2.07 -1.11 -1.48 116.25 117.66 1y9k h VAL 85 Ca 0.37 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1y9k h VAL 85 Cb -0.04 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1y9k h VAL 85 CO -0.10 0.10 -0.04 -0.33 0.02 0.00 0.00 177.57 177.21 1y9k h GLU 86 N -0.12 0.69 -0.53 1.57 4.39 -1.16 -0.88 114.58 118.55 1y9k h GLU 86 Ca 0.01 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.47 1y9k h GLU 86 Cb 0.15 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1y9k h GLU 86 CO -0.00 0.74 0.15 1.15 -1.16 0.00 0.00 179.01 179.89 1y9k h THR 87 N 0.64 1.24 -0.22 1.13 2.02 -0.69 -0.46 112.91 116.57 1y9k h THR 87 Ca 0.12 -0.82 -0.07 0.00 0.77 0.00 0.00 66.41 66.42 1y9k h THR 87 Cb 0.47 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1y9k h THR 87 CO 0.02 0.30 -0.12 0.00 0.37 0.00 0.00 175.52 176.09 1y9k h ALA 88 N 1.02 0.31 -0.66 6.16 0.00 -0.99 -1.76 119.26 123.35 1y9k h ALA 88 Ca 0.17 -0.31 0.09 0.00 0.00 0.00 0.00 54.91 54.86 1y9k h ALA 88 Cb 0.30 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1y9k h ALA 88 CO -0.00 0.18 0.30 0.87 0.00 0.00 0.00 179.25 180.59 1y9k h LYS 89 N 0.18 0.51 -0.35 0.00 1.57 -1.15 -1.99 116.57 115.34 1y9k h LYS 89 Ca 0.05 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1y9k h LYS 89 Cb 0.63 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1y9k h LYS 89 CO 0.04 0.34 0.19 0.78 -0.57 0.00 0.00 179.45 180.22 1y9k h GLY 90 N 0.52 0.51 1.34 3.86 0.00 -0.85 -2.34 103.07 106.11 1y9k h GLY 90 Ca 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1y9k h GLY 90 CO -0.27 0.21 0.00 -1.72 0.00 0.00 0.00 176.54 174.75 1y9k n TYR 91 N -4.44 0.00 -0.55 5.60 4.02 -0.68 -5.09 117.16 116.01 1y9k n TYR 91 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 1y9k n TYR 91 Cb 0.10 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.25 1y9k n TYR 91 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1y9k n GLY 92 N 1.05 -0.72 0.00 2.72 0.00 -0.88 -5.09 105.19 102.26 1y9k n GLY 92 Ca 0.17 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1y9k n GLY 92 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y9k n SER 94 N -0.06 0.00 -3.85 1.61 3.41 0.20 -4.93 113.62 109.99 1y9k n SER 94 Ca 0.00 -0.01 -0.12 0.00 -0.26 0.00 0.00 58.87 58.48 1y9k n SER 94 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 1y9k n SER 94 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1y9k s LYS 95 N 0.00 0.06 -0.10 4.33 2.20 -0.77 -0.35 119.74 125.11 1y9k s LYS 95 Ca 0.00 0.07 0.03 0.00 -0.36 0.00 0.00 55.97 55.71 1y9k s LYS 95 Cb 0.00 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 1y9k s LYS 95 CO 0.00 -0.01 -0.21 -1.17 -0.36 0.00 0.00 175.35 173.60 1y9k s LEU 96 N 0.01 1.99 0.19 5.43 2.96 -1.26 -4.31 118.68 123.69 1y9k s LEU 96 Ca -0.00 -0.50 0.11 0.00 -0.22 0.00 0.00 54.13 53.51 1y9k s LEU 96 Cb -0.00 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 45.36 1y9k s LEU 96 CO 0.00 0.12 -0.21 -1.61 -1.32 0.00 0.00 176.35 173.33 1y9k s GLU 97 N 0.46 1.62 -0.15 1.98 2.02 -1.26 -4.32 118.70 119.04 1y9k s GLU 97 Ca -0.17 -1.47 -0.13 0.00 0.02 0.00 0.00 54.97 53.22 1y9k s GLU 97 Cb -0.17 -1.91 0.04 0.00 0.10 0.00 0.00 34.13 32.19 1y9k s GLU 97 CO 0.07 0.41 0.40 0.54 0.02 0.00 0.00 175.26 176.69 1y9k s VAL 98 N -1.66 -0.01 0.06 2.63 0.11 -0.82 -0.15 120.40 120.56 1y9k s VAL 98 Ca 0.21 0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.33 1y9k s VAL 98 Cb -0.08 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.17 1y9k s VAL 98 CO 0.11 0.01 -0.06 -0.83 -3.33 0.00 0.00 175.10 171.00 1y9k s GLY 99 N 0.43 1.81 0.08 6.54 0.00 -1.26 -0.68 107.32 114.24 1y9k s GLY 99 Ca -0.02 -1.11 -0.07 0.00 0.00 0.00 0.00 44.72 43.52 1y9k s GLY 99 CO -0.02 -1.04 0.15 -1.08 0.00 0.00 0.00 173.10 171.12 1y9k s THR 100 N -1.14 0.15 0.81 0.90 -1.32 0.04 -4.93 115.64 110.14 1y9k s THR 100 Ca 0.21 -1.26 -0.11 0.00 -1.21 0.00 0.00 61.69 59.31 1y9k s THR 100 Cb -0.11 -1.34 0.08 0.00 -1.51 0.00 0.00 72.50 69.62 1y9k s THR 100 CO 0.12 -0.70 1.13 -0.83 -2.21 0.00 0.00 174.62 172.13 1y9k s GLY 101 N -2.82 1.81 0.49 6.08 0.00 -1.26 0.70 107.32 112.32 1y9k s GLY 101 Ca 0.05 0.49 0.19 0.00 0.00 0.00 0.00 44.72 45.45 1y9k s GLY 101 CO -0.10 0.88 2.06 3.45 0.00 0.00 0.00 173.10 179.38 1y9k h ASN 102 N -1.19 0.00 1.81 1.64 -1.07 -1.57 -2.36 115.58 112.84 1y9k h ASN 102 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.93 1y9k h ASN 102 Cb 1.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 1y9k h ASN 102 CO 0.48 0.13 0.00 0.77 0.07 0.00 0.00 177.43 178.87 1y9k h SER 103 N 0.00 0.00 0.00 6.14 4.64 -1.87 -3.41 113.55 119.05 1y9k h SER 103 Ca -0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 1y9k h SER 103 Cb 0.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1y9k h SER 103 CO 0.02 0.00 3.08 -1.20 -0.87 0.00 0.00 176.83 177.85 1y9k n SER 104 N -2.82 4.23 -0.04 4.97 7.64 -0.89 -4.71 113.62 122.01 1y9k n SER 104 Ca 0.04 -2.77 -0.12 0.00 1.01 0.00 0.00 58.87 57.03 1y9k n SER 104 Cb 0.49 -1.55 0.01 0.00 -1.01 0.00 0.00 64.21 62.15 1y9k n SER 104 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1y9k h VAL 105 N 3.95 1.30 -0.02 0.44 2.07 -1.84 -1.52 116.25 120.63 1y9k h VAL 105 Ca 0.58 -1.77 -0.12 0.00 0.82 0.00 0.00 66.70 66.21 1y9k h VAL 105 Cb 0.59 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1y9k h VAL 105 CO 1.88 0.56 -0.54 0.77 0.02 0.00 0.00 177.57 180.26 1y9k h SER 106 N 0.55 0.05 -0.52 0.57 4.64 -1.99 -1.59 113.55 115.27 1y9k h SER 106 Ca 0.01 -0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 1y9k h SER 106 Cb 1.13 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 1y9k h SER 106 CO 0.11 0.59 -0.11 1.56 -0.87 0.00 0.00 176.83 178.11 1y9k h GLN 107 N 0.04 0.98 -0.45 4.77 4.20 -1.89 -0.72 115.11 122.03 1y9k h GLN 107 Ca -0.00 -0.37 0.03 0.00 0.06 0.00 0.00 58.65 58.37 1y9k h GLN 107 Cb 0.97 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.65 1y9k h GLN 107 CO 0.07 1.04 0.24 -0.07 -0.67 0.00 0.00 178.83 179.44 1y9k h LEU 108 N 0.85 0.35 0.05 1.46 3.38 -1.02 0.16 115.31 120.54 1y9k h LEU 108 Ca 0.13 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1y9k h LEU 108 Cb 0.67 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1y9k h LEU 108 CO 0.05 0.25 -0.20 0.00 0.09 0.00 0.00 178.44 178.63 1y9k h ALA 109 N 1.23 -0.29 0.30 1.53 0.00 -1.23 -2.85 119.26 117.96 1y9k h ALA 109 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1y9k h ALA 109 Cb 0.08 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1y9k h ALA 109 CO -0.13 -0.71 -0.15 1.25 0.00 0.00 0.00 179.25 179.52 1y9k h LEU 110 N -0.35 -0.34 -0.88 0.00 5.85 -0.70 -1.11 115.31 117.77 1y9k h LEU 110 Ca 0.04 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.83 1y9k h LEU 110 Cb 0.40 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 1y9k h LEU 110 CO -0.15 -0.24 0.55 1.88 -0.34 0.00 0.00 178.44 180.14 1y9k h TYR 111 N -0.42 1.02 -0.10 1.25 0.05 -0.78 0.04 116.97 118.04 1y9k h TYR 111 Ca -0.04 0.03 -0.17 0.00 0.05 0.00 0.00 58.73 58.60 1y9k h TYR 111 Cb 0.32 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 1y9k h TYR 111 CO -0.05 0.52 -0.66 1.96 -1.05 0.00 0.00 178.16 178.88 1y9k h GLN 112 N 1.01 0.39 -0.64 4.88 4.20 -1.39 -0.03 115.11 123.52 1y9k h GLN 112 Ca 0.38 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 1y9k h GLN 112 Cb 0.16 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 1y9k h GLN 112 CO -0.17 0.91 0.24 0.87 -0.67 0.00 0.00 178.83 180.01 1y9k h LYS 113 N 0.28 0.95 0.00 1.46 1.57 -0.64 -2.74 116.57 117.45 1y9k h LYS 113 Ca -0.02 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1y9k h LYS 113 Cb 1.21 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1y9k h LYS 113 CO 0.11 0.79 0.00 0.00 -0.57 0.00 0.00 179.45 179.78 1y9k n GLY 115 N 0.88 0.66 3.76 0.00 0.00 -0.90 -5.04 105.19 104.55 1y9k n GLY 115 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 1y9k n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y9k s PHE 116 N -2.00 3.74 -0.12 1.61 0.40 -0.08 -4.86 117.98 116.67 1y9k s PHE 116 Ca 0.00 1.80 0.01 0.00 -0.60 0.00 0.00 56.93 58.14 1y9k s PHE 116 Cb 0.00 -3.08 -0.01 0.00 0.51 0.00 0.00 43.02 40.44 1y9k s PHE 116 CO 0.00 0.01 -0.16 0.50 0.70 0.00 0.00 175.22 176.27 1y9k s ARG 117 N -1.54 3.30 0.16 0.44 3.52 0.05 -3.87 118.95 121.01 1y9k s ARG 117 Ca 0.45 -0.73 -0.31 0.00 -0.13 0.00 0.00 55.73 55.01 1y9k s ARG 117 Cb -0.26 -2.55 -0.10 0.00 -1.56 0.00 0.00 34.95 30.47 1y9k s ARG 117 CO 0.33 0.20 1.68 0.42 -0.81 0.00 0.00 175.30 177.12 1y9k s ILE 118 N 0.35 2.47 0.00 4.11 1.01 -1.26 -0.91 121.20 126.98 1y9k s ILE 118 Ca -0.13 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.76 1y9k s ILE 118 Cb -0.16 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.15 1y9k s ILE 118 CO 0.06 0.01 0.00 2.22 0.00 0.00 0.00 174.94 177.24 1y9k n PHE 119 N 4.53 0.00 -3.60 3.97 1.16 0.06 -4.95 117.46 118.63 1y9k n PHE 119 Ca 0.16 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.66 1y9k n PHE 119 Cb 0.38 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.23 1y9k n PHE 119 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1y9k s SER 120 N -0.55 -0.32 -0.05 5.98 0.15 -1.20 -5.03 113.70 112.68 1y9k s SER 120 Ca 0.00 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.50 1y9k s SER 120 Cb 0.00 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 64.79 1y9k s SER 120 CO 0.00 -0.81 -0.11 -0.63 1.20 0.00 0.00 173.24 172.89 1y9k s ILE 121 N -3.32 0.98 -0.49 6.45 1.01 -1.26 -0.89 121.20 123.69 1y9k s ILE 121 Ca 0.07 -0.41 -0.18 0.00 0.00 0.00 0.00 60.65 60.13 1y9k s ILE 121 Cb -0.01 -0.90 0.06 0.00 0.01 0.00 0.00 42.46 41.61 1y9k s ILE 121 CO -0.05 0.31 0.55 -1.81 0.00 0.00 0.00 174.94 173.95 1y9k s ASP 122 N 0.55 6.21 0.24 3.58 1.01 -1.26 -5.00 116.67 121.99 1y9k s ASP 122 Ca -0.11 -0.97 -0.30 0.00 0.71 0.00 0.00 52.55 51.89 1y9k s ASP 122 Cb -0.14 -2.26 -0.09 0.00 1.01 0.00 0.00 42.92 41.44 1y9k s ASP 122 CO 0.02 -0.80 1.19 -0.36 0.21 0.00 0.00 175.17 175.43 1y9k s PHE 123 N 2.35 3.41 -0.76 4.23 0.40 -1.26 -3.34 117.98 123.01 1y9k s PHE 123 Ca 0.12 1.49 0.00 0.00 -0.60 0.00 0.00 56.93 57.95 1y9k s PHE 123 Cb -0.20 -3.43 0.00 0.00 0.51 0.00 0.00 43.02 39.90 1y9k s PHE 123 CO 0.11 -1.14 0.00 -0.25 0.70 0.00 0.00 175.22 174.64 1y9k n ASP 124 N 1.85 -4.95 -0.19 1.36 8.00 -1.15 -4.89 116.55 116.57 1y9k n ASP 124 Ca 0.02 0.18 -0.01 0.00 0.71 0.00 0.00 54.79 55.69 1y9k n ASP 124 Cb 0.44 -3.08 0.07 0.00 -0.02 0.00 0.00 41.12 38.53 1y9k n ASP 124 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1y9k h TYR 125 N 0.00 -0.22 -0.16 1.24 3.20 -1.50 -1.46 116.97 118.07 1y9k h TYR 125 Ca -0.15 0.05 -0.18 0.00 3.14 0.00 0.00 58.73 61.59 1y9k h TYR 125 Cb 0.83 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.29 1y9k h TYR 125 CO 0.43 -0.22 -0.64 0.74 -1.64 0.00 0.00 178.16 176.83 1y9k h PHE 126 N 0.03 0.77 -0.92 -3.82 -1.00 -1.77 -1.82 116.94 108.40 1y9k h PHE 126 Ca 0.29 -0.30 0.01 0.00 2.81 0.00 0.00 57.97 60.77 1y9k h PHE 126 Cb 0.45 -0.13 -0.05 0.00 3.61 0.00 0.00 35.95 39.83 1y9k h PHE 126 CO -0.44 1.07 0.60 0.77 -1.61 0.00 0.00 178.31 178.69 1y9k h SER 127 N 0.43 1.07 -0.09 2.17 0.02 -1.61 -1.79 113.55 113.74 1y9k h SER 127 Ca -0.01 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.79 1y9k h SER 127 Cb 1.21 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1y9k h SER 127 CO 0.12 0.78 -0.37 0.11 -1.14 0.00 0.00 176.83 176.34 1y9k h LYS 128 N 1.25 0.42 0.00 3.45 1.57 -1.11 -3.36 116.57 118.79 1y9k h LYS 128 Ca 0.34 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1y9k h LYS 128 Cb -0.12 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 1y9k h LYS 128 CO -0.07 0.95 -0.16 0.45 -0.57 0.00 0.00 179.45 180.05 1y9k h HIS 129 N -0.03 0.00 -3.56 -1.35 3.86 -1.24 -3.44 115.15 109.39 1y9k h HIS 129 Ca -0.02 0.00 -0.46 0.00 -1.16 0.00 0.00 60.37 58.73 1y9k h HIS 129 Cb 1.01 0.00 -0.33 0.00 1.06 0.00 0.00 27.41 29.15 1y9k h HIS 129 CO 0.12 0.16 -0.80 0.71 0.86 0.00 0.00 177.93 178.98 1y9k s TYR 130 N -3.14 1.13 0.09 2.45 1.51 -0.68 -5.01 117.35 113.70 1y9k s TYR 130 Ca 0.06 -0.36 -0.21 0.00 -1.01 0.00 0.00 57.07 55.55 1y9k s TYR 130 Cb 0.06 -0.85 -0.11 0.00 -0.11 0.00 0.00 41.96 40.94 1y9k s TYR 130 CO 0.69 -0.20 1.70 1.49 -1.11 0.00 0.00 175.55 178.12 1y9k h GLU 131 N 6.83 0.15 -6.12 -0.62 4.57 -1.86 -3.43 114.58 114.10 1y9k h GLU 131 Ca -0.34 -0.02 -0.57 0.00 -1.18 0.00 0.00 59.36 57.26 1y9k h GLU 131 Cb 1.17 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.68 1y9k h GLU 131 CO 0.48 0.16 0.51 -2.00 -1.18 0.00 0.00 179.01 176.97 1y9k s GLU 132 N -5.94 4.36 0.34 1.92 2.56 -1.26 -5.03 118.70 115.65 1y9k s GLU 132 Ca -0.13 1.24 -0.29 0.00 0.00 0.00 0.00 54.97 55.78 1y9k s GLU 132 Cb 0.07 -3.56 -0.11 0.00 2.00 0.00 0.00 34.13 32.53 1y9k s GLU 132 CO 0.68 -0.33 1.53 -2.00 -0.56 0.00 0.00 175.26 174.58 1y9k s GLU 133 N 2.12 4.12 -0.11 4.30 2.12 -1.26 -5.00 118.70 124.99 1y9k s GLU 133 Ca 0.44 2.57 -0.00 0.00 0.36 0.00 0.00 54.97 58.34 1y9k s GLU 133 Cb -0.17 -2.99 -0.02 0.00 0.26 0.00 0.00 34.13 31.20 1y9k s GLU 133 CO 0.15 -0.57 -0.10 0.42 -0.54 0.00 0.00 175.26 174.62 1y9k s ILE 134 N -0.62 3.37 -0.09 -3.70 1.01 -1.26 -5.07 121.20 114.85 1y9k s ILE 134 Ca 0.57 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.69 1y9k s ILE 134 Cb -0.47 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 39.60 1y9k s ILE 134 CO 0.56 0.54 -0.16 -0.63 0.00 0.00 0.00 174.94 175.25 1y9k s ILE 135 N 0.00 1.51 -0.15 2.92 1.01 -1.26 -0.44 121.20 124.79 1y9k s ILE 135 Ca -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1y9k s ILE 135 Cb -0.14 -1.35 0.02 0.00 0.01 0.00 0.00 42.46 41.00 1y9k s ILE 135 CO 0.04 0.44 -0.14 -1.61 0.00 0.00 0.00 174.94 173.67 1y9k s GLU 136 N 0.68 2.27 -1.45 2.79 2.02 0.26 -4.84 118.70 120.43 1y9k s GLU 136 Ca -0.13 -0.55 -0.07 0.00 0.02 0.00 0.00 54.97 54.24 1y9k s GLU 136 Cb -0.16 -2.09 0.05 0.00 0.10 0.00 0.00 34.13 32.03 1y9k s GLU 136 CO 0.03 -0.24 0.79 0.09 0.02 0.00 0.00 175.26 175.95 1y9k n ASN 137 N 4.78 -2.74 -0.07 -0.19 4.13 -1.26 -1.51 115.26 118.40 1y9k n ASN 137 Ca -0.17 -0.85 -0.01 0.00 1.68 0.00 0.00 54.58 55.24 1y9k n ASN 137 Cb 0.50 -3.73 -0.00 0.00 -1.54 0.00 0.00 39.78 35.00 1y9k n ASN 137 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1y9k n GLY 138 N -1.67 0.45 3.18 7.41 0.00 -1.26 -5.01 105.19 108.28 1y9k n GLY 138 Ca -0.13 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 1y9k n GLY 138 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y9k s ILE 139 N -1.84 1.91 0.08 -0.61 1.01 -0.57 -5.11 121.20 116.08 1y9k s ILE 139 Ca 0.00 -0.92 -0.31 0.00 0.00 0.00 0.00 60.65 59.42 1y9k s ILE 139 Cb 0.00 -1.67 -0.08 0.00 0.01 0.00 0.00 42.46 40.72 1y9k s ILE 139 CO 0.00 0.53 1.62 -0.69 0.00 0.00 0.00 174.94 176.39 1y9k s VAL 140 N 0.50 3.03 -0.57 2.92 1.01 -1.26 -0.57 120.40 125.46 1y9k s VAL 140 Ca -0.16 0.54 -0.26 0.00 0.00 0.00 0.00 61.98 62.10 1y9k s VAL 140 Cb -0.17 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 32.90 1y9k s VAL 140 CO 0.06 0.01 1.08 0.00 0.00 0.00 0.00 175.10 176.24 1y9k n ARG 142 N 8.04 0.00 0.00 0.00 0.63 -1.26 -4.50 116.66 119.56 1y9k n ARG 142 Ca 0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 1y9k n ARG 142 Cb 0.48 -0.59 0.00 0.00 0.45 0.00 0.00 32.46 32.81 1y9k n ARG 142 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1y9k n ASP 143 N -2.81 0.00 -3.65 6.15 8.00 -1.26 -2.48 116.55 120.50 1y9k n ASP 143 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 1y9k n ASP 143 Cb 0.45 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.48 1y9k n ASP 143 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1y9k s ILE 145 N 4.01 -0.13 -0.19 0.53 -1.09 0.22 -1.44 121.20 123.12 1y9k s ILE 145 Ca 0.00 0.02 -0.06 0.00 -2.23 0.00 0.00 60.65 58.38 1y9k s ILE 145 Cb 0.00 -0.91 -0.03 0.00 -1.58 0.00 0.00 42.46 39.94 1y9k s ILE 145 CO 0.00 0.01 0.03 -0.13 -1.23 0.00 0.00 174.94 173.62 1y9k s ARG 146 N 1.75 3.78 0.22 2.79 1.81 -0.06 -0.78 118.95 128.45 1y9k s ARG 146 Ca -0.09 -0.44 0.10 0.00 -1.72 0.00 0.00 55.73 53.58 1y9k s ARG 146 Cb -0.07 -3.14 -0.05 0.00 -0.45 0.00 0.00 34.95 31.25 1y9k s ARG 146 CO -0.18 0.14 -0.20 -0.51 -0.68 0.00 0.00 175.30 173.87 1y9k s LEU 147 N 0.71 2.50 0.00 2.53 1.02 0.14 -0.76 118.68 124.83 1y9k s LEU 147 Ca 0.01 -0.94 0.00 0.00 0.02 0.00 0.00 54.13 53.22 1y9k s LEU 147 Cb -0.14 -0.98 0.00 0.00 0.02 0.00 0.00 46.19 45.09 1y9k s LEU 147 CO 0.02 0.01 0.00 0.00 0.02 0.00 0.00 176.35 176.40 1y9k n ALA 148 N -0.11 0.00 -3.00 4.21 0.00 -0.08 -1.94 120.51 119.59 1y9k n ALA 148 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.10 1y9k n ALA 148 Cb 0.58 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.87 1y9k n ALA 148 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1y9k s GLU 150 N -0.43 1.55 0.00 0.00 2.02 -1.26 -0.77 118.70 119.81 1y9k s GLU 150 Ca 0.00 -0.51 0.25 0.00 0.02 0.00 0.00 54.97 54.74 1y9k s GLU 150 Cb 0.00 -1.36 0.44 0.00 0.10 0.00 0.00 34.13 33.31 1y9k s GLU 150 CO 0.00 0.19 1.40 1.28 0.02 0.00 0.00 175.26 178.15