#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 2.44 -1.38 5.41 0.00 -1.26 -4.82 120.51 120.91 1y9k n ALA 0 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1y9k n ALA 0 Cb 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 2.05 -5.22 -4.76 0.00 7.64 -1.26 -4.62 113.62 107.45 1y9k n SER 2 Ca 0.03 1.10 -0.41 0.00 1.01 0.00 0.00 58.87 60.60 1y9k n SER 2 Cb 0.20 -3.74 -0.02 0.00 -1.01 0.00 0.00 64.21 59.64 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 -4.67 2.63 -0.15 0.44 1.01 -1.26 -4.67 120.40 113.72 1y9k s VAL 3 Ca 0.00 0.57 0.02 0.00 0.00 0.00 0.00 61.98 62.57 1y9k s VAL 3 Cb 0.00 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 33.03 1y9k s VAL 3 CO 0.00 0.11 -0.21 -0.69 0.00 0.00 0.00 175.10 174.31 1y9k s VAL 4 N -0.46 2.01 -0.27 2.92 1.01 0.20 -4.95 120.40 120.85 1y9k s VAL 4 Ca 0.55 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 1y9k s VAL 4 Cb -0.41 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.19 1y9k s VAL 4 CO 0.48 0.54 0.01 -0.63 0.00 0.00 0.00 175.10 175.50 1y9k s ILE 5 N 1.01 3.44 0.03 2.22 1.01 -1.26 -0.18 121.20 127.47 1y9k s ILE 5 Ca -0.02 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1y9k s ILE 5 Cb -0.15 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 1y9k s ILE 5 CO -0.06 0.12 -0.07 -1.61 0.00 0.00 0.00 174.94 173.32 1y9k s GLU 6 N 1.41 0.51 0.25 2.79 2.02 0.21 -4.91 118.70 120.98 1y9k s GLU 6 Ca 0.01 -0.60 -0.31 0.00 0.02 0.00 0.00 54.97 54.09 1y9k s GLU 6 Cb -0.17 -0.34 -0.12 0.00 0.10 0.00 0.00 34.13 33.60 1y9k s GLU 6 CO -0.01 0.07 1.61 -2.13 0.02 0.00 0.00 175.26 174.82 1y9k n ARG 7 N 1.89 2.57 -4.27 1.61 3.00 -1.26 -0.58 116.66 119.63 1y9k n ARG 7 Ca -0.20 0.92 -0.28 0.00 -0.00 0.00 0.00 57.85 58.30 1y9k n ARG 7 Cb 0.56 -2.70 -0.09 0.00 0.00 0.00 0.00 32.46 30.22 1y9k n ARG 7 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1y9k s ILE 8 N 0.43 3.28 0.65 5.15 -4.36 -0.50 -4.90 121.20 120.95 1y9k s ILE 8 Ca 0.69 -1.53 -0.18 0.00 -0.26 0.00 0.00 60.65 59.37 1y9k s ILE 8 Cb -0.54 -2.60 -0.01 0.00 1.25 0.00 0.00 42.46 40.56 1y9k s ILE 8 CO 0.43 -0.05 1.23 -2.84 0.24 0.00 0.00 174.94 173.95 1y9k s PRO 9 N -2.67 2.63 0.61 0.37 0.02 -1.26 -4.60 135.00 130.09 1y9k s PRO 9 Ca 0.24 1.88 0.36 0.00 0.02 0.00 0.00 61.00 63.51 1y9k s PRO 9 Cb -0.09 -1.88 1.99 0.00 0.02 0.00 0.00 34.50 34.53 1y9k s PRO 9 CO 0.15 -1.49 2.25 1.57 -0.33 0.00 0.00 177.00 179.15 1y9k h LYS 10 N 0.47 0.00 0.00 5.54 2.10 -1.96 -1.18 116.57 121.55 1y9k h LYS 10 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1y9k h LYS 10 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1y9k h LYS 10 CO 0.53 0.02 0.00 1.05 -2.00 0.00 0.00 179.45 179.05 1y9k h GLU 11 N 0.00 0.00 -0.58 0.07 4.11 -1.99 -3.25 114.58 112.94 1y9k h GLU 11 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1y9k h GLU 11 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1y9k h GLU 11 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.08 1y9k n ALA 12 N -2.07 2.53 -1.63 1.06 0.00 -0.44 -5.01 120.51 114.94 1y9k n ALA 12 Ca 0.02 -1.04 -0.44 0.00 0.00 0.00 0.00 53.44 51.99 1y9k n ALA 12 Cb 0.40 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 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 1.09 1.97 -2.53 0.00 -5.35 -1.23 -4.85 119.36 108.45 1y9k n ILE 13 Ca 0.19 -0.49 -0.42 0.00 -0.27 0.00 0.00 62.75 61.76 1y9k n ILE 13 Cb 0.53 -1.23 -0.01 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 -1.65 3.84 0.23 6.28 0.04 -1.26 -4.84 135.00 137.64 1y9k s PRO 14 Ca 0.58 -1.91 -0.09 0.00 0.04 0.00 0.00 61.00 59.62 1y9k s PRO 14 Cb -0.65 -5.51 0.37 0.00 0.04 0.00 0.00 34.50 28.75 1y9k s PRO 14 CO 0.61 -2.43 1.66 -0.22 0.04 0.00 0.00 177.00 176.66 1y9k h LYS 15 N 7.80 0.14 -0.35 4.56 3.64 -1.99 -0.78 116.57 129.59 1y9k h LYS 15 Ca 0.43 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.64 1y9k h LYS 15 Cb 0.88 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1y9k h LYS 15 CO 1.44 0.09 -0.39 0.77 -2.27 0.00 0.00 179.45 179.09 1y9k h SER 16 N 0.15 0.90 -0.56 4.20 0.02 -1.99 -0.69 113.55 115.57 1y9k h SER 16 Ca 0.36 -0.41 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1y9k h SER 16 Cb 0.61 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 1y9k h SER 16 CO -0.56 1.18 0.36 -0.07 -1.14 0.00 0.00 176.83 176.60 1y9k h LEU 17 N 0.69 0.60 -1.06 5.07 3.38 -1.74 -2.49 115.31 119.75 1y9k h LEU 17 Ca 0.06 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1y9k h LEU 17 Cb 0.96 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1y9k h LEU 17 CO 0.09 0.43 -0.15 -0.07 0.09 0.00 0.00 178.44 178.83 1y9k h LEU 18 N 0.72 0.48 -1.25 1.67 3.38 -0.91 -2.81 115.31 116.59 1y9k h LEU 18 Ca 0.22 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1y9k h LEU 18 Cb -0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1y9k h LEU 18 CO -0.07 0.66 -0.20 -0.07 0.09 0.00 0.00 178.44 178.85 1y9k h LEU 19 N 0.45 0.00 -1.64 1.67 3.38 -0.97 -2.05 115.31 116.15 1y9k h LEU 19 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1y9k h LEU 19 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1y9k h LEU 19 CO 0.03 0.20 -0.08 -0.07 0.09 0.00 0.00 178.44 178.61 1y9k h LEU 20 N 0.00 0.11 0.05 1.67 4.07 -1.17 -3.15 115.31 116.89 1y9k h LEU 20 Ca -0.00 -0.01 -0.33 0.00 0.08 0.00 0.00 57.88 57.61 1y9k h LEU 20 Cb 0.68 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.35 1y9k h LEU 20 CO 0.03 0.22 -1.92 0.00 -1.08 0.00 0.00 178.44 175.69 1y9k n ALA 21 N -2.51 1.26 -3.37 1.53 0.00 -0.96 -4.89 120.51 111.57 1y9k n ALA 21 Ca -0.02 -0.76 -0.13 0.00 0.00 0.00 0.00 53.44 52.53 1y9k n ALA 21 Cb 0.20 -0.69 -0.09 0.00 0.00 0.00 0.00 19.45 18.87 1y9k n ALA 21 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1y9k s ASP 22 N -6.42 0.84 0.00 0.00 2.15 -0.81 -5.03 116.67 107.39 1y9k s ASP 22 Ca -0.13 -0.25 0.11 0.00 0.43 0.00 0.00 52.55 52.71 1y9k s ASP 22 Cb 0.07 0.84 0.67 0.00 -0.30 0.00 0.00 42.92 44.20 1y9k s ASP 22 CO 0.79 -0.34 1.15 -2.65 -0.17 0.00 0.00 175.17 173.95 1y9k n PRO 23 N 5.34 0.33 -3.69 4.34 -0.02 -1.23 -4.14 135.00 135.93 1y9k n PRO 23 Ca -0.03 0.03 -0.39 0.00 -2.02 0.00 0.00 63.50 61.10 1y9k n PRO 23 Cb 0.49 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.35 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 -2.10 5.44 0.17 2.55 0.15 -1.26 -4.98 113.70 113.67 1y9k s SER 24 Ca 0.16 -0.80 -0.12 0.00 0.70 0.00 0.00 55.95 55.89 1y9k s SER 24 Cb 0.08 -1.95 0.07 0.00 -1.71 0.00 0.00 66.02 62.51 1y9k s SER 24 CO 0.14 -0.27 1.74 -0.33 1.20 0.00 0.00 173.24 175.72 1y9k h GLU 25 N 8.32 0.86 -0.04 5.44 5.08 -1.99 -1.56 114.58 130.68 1y9k h GLU 25 Ca -0.29 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 57.83 1y9k h GLU 25 Cb 1.12 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1y9k h GLU 25 CO 0.62 0.72 -0.44 0.07 -1.00 0.00 0.00 179.01 178.98 1y9k h ARG 26 N 0.80 0.10 -0.21 2.33 -0.00 -1.98 0.82 114.38 116.23 1y9k h ARG 26 Ca 0.20 -0.05 -0.10 0.00 -0.00 0.00 0.00 59.98 60.03 1y9k h ARG 26 Cb 0.16 -0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.13 1y9k h ARG 26 CO -0.02 0.52 -0.26 1.96 -0.00 0.00 0.00 179.97 182.18 1y9k h GLN 27 N 0.08 0.54 -0.60 0.08 4.20 -1.96 -2.61 115.11 114.84 1y9k h GLN 27 Ca 0.00 -0.31 0.06 0.00 0.06 0.00 0.00 58.65 58.47 1y9k h GLN 27 Cb 0.82 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.56 1y9k h GLN 27 CO 0.06 0.90 0.31 0.82 -0.67 0.00 0.00 178.83 180.25 1y9k h ILE 28 N 0.22 0.94 -0.97 2.54 2.04 -1.07 -2.73 117.51 118.49 1y9k h ILE 28 Ca 0.03 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 65.76 1y9k h ILE 28 Cb 0.82 0.31 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 1y9k h ILE 28 CO 0.06 0.11 0.61 0.00 0.00 0.00 0.00 178.15 178.93 1y9k h ALA 29 N 1.33 1.37 0.11 1.87 0.00 -0.79 -0.61 119.26 122.53 1y9k h ALA 29 Ca 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1y9k h ALA 29 Cb 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1y9k h ALA 29 CO -0.19 0.35 -0.05 1.15 0.00 0.00 0.00 179.25 180.52 1y9k h THR 30 N 1.08 0.95 0.00 0.00 2.02 -1.15 -1.71 112.91 114.11 1y9k h THR 30 Ca 0.43 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.40 1y9k h THR 30 Cb 0.24 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1y9k h THR 30 CO -0.20 0.05 -0.25 0.10 0.37 0.00 0.00 175.52 175.60 1y9k h TYR 31 N -0.24 0.00 -0.46 3.16 -0.00 -1.40 -2.91 116.97 115.11 1y9k h TYR 31 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.59 1y9k h TYR 31 Cb 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.91 1y9k h TYR 31 CO -0.04 0.04 -0.19 0.28 -0.00 0.00 0.00 178.16 178.25 1y9k h VAL 32 N 0.00 1.27 -0.75 -0.90 2.07 -1.09 0.22 116.25 117.07 1y9k h VAL 32 Ca -0.00 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.15 1y9k h VAL 32 Cb 1.03 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1y9k h VAL 32 CO 0.00 0.46 0.36 1.56 0.02 0.00 0.00 177.57 179.98 1y9k h GLN 33 N 0.78 1.08 0.00 1.57 1.08 -1.25 -3.15 115.11 115.22 1y9k h GLN 33 Ca 0.11 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 1y9k h GLN 33 Cb 0.75 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1y9k h GLN 33 CO 0.06 0.84 -0.89 0.00 -0.95 0.00 0.00 178.83 177.88 1y9k h ARG 34 N 1.05 0.00 0.00 1.46 3.08 -1.54 -3.49 114.38 114.94 1y9k h ARG 34 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1y9k h ARG 34 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1y9k h ARG 34 CO -0.03 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.29 1y9k n GLY 35 N 1.18 3.23 3.02 0.04 0.00 0.75 -4.80 105.19 108.61 1y9k n GLY 35 Ca 0.00 -2.13 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 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 2.05 -0.18 0.99 1.02 0.81 -4.88 118.68 118.50 1y9k s LEU 36 Ca 0.00 -0.72 -0.06 0.00 0.02 0.00 0.00 54.13 53.37 1y9k s LEU 36 Cb 0.00 -1.24 -0.03 0.00 0.02 0.00 0.00 46.19 44.94 1y9k s LEU 36 CO 0.00 -0.10 0.03 -0.89 0.02 0.00 0.00 176.35 175.41 1y9k s THR 37 N 1.42 4.40 -0.05 5.49 2.01 -1.26 -0.02 115.64 127.62 1y9k s THR 37 Ca 0.02 -0.17 0.06 0.00 0.31 0.00 0.00 61.69 61.91 1y9k s THR 37 Cb -0.15 -2.97 -0.01 0.00 0.01 0.00 0.00 72.50 69.37 1y9k s THR 37 CO -0.10 0.45 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.74 1y9k s TYR 38 N 0.56 2.44 -0.07 4.92 1.51 0.18 -1.41 117.35 125.48 1y9k s TYR 38 Ca 0.01 -0.63 0.04 0.00 -1.01 0.00 0.00 57.07 55.48 1y9k s TYR 38 Cb -0.13 -1.59 -0.02 0.00 -0.11 0.00 0.00 41.96 40.11 1y9k s TYR 38 CO 0.02 -0.16 -0.18 0.08 -1.11 0.00 0.00 175.55 174.20 1y9k s VAL 39 N -0.28 2.68 -0.10 0.71 1.01 0.26 -1.30 120.40 123.38 1y9k s VAL 39 Ca -0.00 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 60.96 1y9k s VAL 39 Cb -0.13 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1y9k s VAL 39 CO 0.03 0.57 0.48 0.00 0.00 0.00 0.00 175.10 176.18 1y9k s ALA 40 N -0.26 3.49 0.14 5.51 0.00 -0.33 -0.62 121.76 129.70 1y9k s ALA 40 Ca 0.00 -0.17 0.08 0.00 0.00 0.00 0.00 51.96 51.88 1y9k s ALA 40 Cb -0.13 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 1y9k s ALA 40 CO 0.03 0.05 -0.19 0.15 0.00 0.00 0.00 175.76 175.80 1y9k s LYS 41 N 0.44 1.21 -0.03 0.00 1.02 0.75 -0.83 119.74 122.29 1y9k s LYS 41 Ca 0.26 -1.32 -0.01 0.00 0.02 0.00 0.00 55.97 54.92 1y9k s LYS 41 Cb -0.15 -1.30 0.03 0.00 -0.52 0.00 0.00 37.83 35.88 1y9k s LYS 41 CO 0.11 0.27 0.05 -1.14 -0.92 0.00 0.00 175.35 173.72 1y9k s GLN 42 N -2.54 -0.05 -1.47 1.68 -0.44 -0.15 -0.63 119.66 116.07 1y9k s GLN 42 Ca 0.12 0.30 -0.04 0.00 -2.50 0.00 0.00 55.36 53.24 1y9k s GLN 42 Cb -0.07 -0.41 0.02 0.00 -1.64 0.00 0.00 33.01 30.91 1y9k s GLN 42 CO 0.06 -0.26 0.33 0.41 0.50 0.00 0.00 175.29 176.33 1y9k n GLY 43 N 4.84 -0.51 2.53 2.59 0.00 -1.26 -2.04 105.19 111.34 1y9k n GLY 43 Ca -0.13 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.21 0.85 3.55 -0.02 0.00 -1.26 -5.02 105.19 102.08 1y9k n GLY 44 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.74 5.04 0.04 1.61 0.15 -0.86 -5.04 113.70 111.90 1y9k s SER 45 Ca 0.00 -0.05 -0.30 0.00 0.70 0.00 0.00 55.95 56.30 1y9k s SER 45 Cb 0.00 -1.79 -0.07 0.00 -1.71 0.00 0.00 66.02 62.46 1y9k s SER 45 CO 0.00 0.19 1.46 -0.69 1.20 0.00 0.00 173.24 175.41 1y9k s VAL 46 N 0.22 3.46 0.00 4.45 1.01 -1.26 -0.98 120.40 127.30 1y9k s VAL 46 Ca -0.01 0.91 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1y9k s VAL 46 Cb -0.13 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1y9k s VAL 46 CO 0.02 0.01 0.03 2.30 0.00 0.00 0.00 175.10 177.46 1y9k n ILE 47 N 4.54 0.00 -3.62 2.22 -5.35 -0.01 -4.89 119.36 112.26 1y9k n ILE 47 Ca 0.14 -0.35 -0.01 0.00 -0.27 0.00 0.00 62.75 62.25 1y9k n ILE 47 Cb 0.43 1.02 -0.01 0.00 -1.74 0.00 0.00 39.64 39.34 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 -0.65 -0.36 -0.10 3.28 0.00 -1.19 -0.90 107.32 107.39 1y9k s GLY 48 Ca 0.00 0.95 -0.30 0.00 0.00 0.00 0.00 44.72 45.37 1y9k s GLY 48 CO 0.00 0.25 0.76 0.54 0.00 0.00 0.00 173.10 174.65 1y9k s VAL 49 N -2.51 0.00 0.02 1.40 0.11 -0.48 -1.19 120.40 117.75 1y9k s VAL 49 Ca 0.12 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.09 1y9k s VAL 49 Cb 0.02 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 1y9k s VAL 49 CO -0.04 0.00 0.17 -0.72 -3.33 0.00 0.00 175.10 171.18 1y9k s TYR 50 N -0.97 0.05 -0.12 1.54 -0.85 -0.42 -1.55 117.35 115.04 1y9k s TYR 50 Ca -0.08 -0.21 0.03 0.00 -0.52 0.00 0.00 57.07 56.29 1y9k s TYR 50 Cb -0.01 -0.04 0.01 0.00 0.38 0.00 0.00 41.96 42.30 1y9k s TYR 50 CO 0.07 -0.37 -0.23 0.08 -1.52 0.00 0.00 175.55 173.58 1y9k s VAL 51 N -2.07 2.05 -0.06 -3.49 1.01 -0.25 -0.64 120.40 116.94 1y9k s VAL 51 Ca -0.09 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 60.86 1y9k s VAL 51 Cb -0.04 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1y9k s VAL 51 CO -0.01 0.55 0.10 -0.76 0.00 0.00 0.00 175.10 174.98 1y9k s LEU 52 N 0.58 4.06 -0.06 3.92 1.43 0.97 -3.77 118.68 125.81 1y9k s LEU 52 Ca -0.13 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 1y9k s LEU 52 Cb -0.17 -2.15 0.02 0.00 0.03 0.00 0.00 46.19 43.92 1y9k s LEU 52 CO 0.04 0.34 -0.05 -0.22 0.23 0.00 0.00 176.35 176.68 1y9k s LEU 53 N -1.34 1.22 -0.11 1.79 2.96 -0.14 -0.13 118.68 122.93 1y9k s LEU 53 Ca 0.19 -0.18 -0.30 0.00 -0.22 0.00 0.00 54.13 53.62 1y9k s LEU 53 Cb -0.12 -0.58 -0.02 0.00 0.50 0.00 0.00 46.19 45.97 1y9k s LEU 53 CO 0.09 -0.08 1.24 -0.70 -1.32 0.00 0.00 176.35 175.58 1y9k s GLU 54 N 1.20 4.28 0.00 1.98 2.12 -1.26 0.05 118.70 127.07 1y9k s GLU 54 Ca -0.06 1.68 0.00 0.00 0.36 0.00 0.00 54.97 56.94 1y9k s GLU 54 Cb -0.14 -3.67 0.00 0.00 0.26 0.00 0.00 34.13 30.58 1y9k s GLU 54 CO -0.02 -0.59 0.00 0.25 -0.54 0.00 0.00 175.26 174.36 1y9k n THR 55 N 5.04 0.00 -0.87 -1.70 -2.24 0.28 -4.96 114.28 109.82 1y9k n THR 55 Ca 0.13 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.62 1y9k n THR 55 Cb 0.45 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 68.89 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 1.25 -0.12 0.02 -0.78 0.52 -1.26 -4.88 118.95 113.71 1y9k s ARG 56 Ca 0.00 0.73 -0.35 0.00 -0.52 0.00 0.00 55.73 55.58 1y9k s ARG 56 Cb 0.00 -1.66 -0.14 0.00 0.52 0.00 0.00 34.95 33.67 1y9k s ARG 56 CO 0.00 -3.15 1.65 -2.30 0.02 0.00 0.00 175.30 171.52 1y9k n PRO 57 N -4.50 1.87 -1.91 3.54 -0.02 -1.26 -2.08 135.00 130.64 1y9k n PRO 57 Ca 0.05 0.68 -0.17 0.00 -2.02 0.00 0.00 63.50 62.03 1y9k n PRO 57 Cb 0.55 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.55 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 4.48 -1.28 -3.99 -0.52 5.02 -1.26 -4.92 118.16 115.69 1y9k n LYS 58 Ca 0.20 0.97 -0.24 0.00 -2.02 0.00 0.00 58.31 57.22 1y9k n LYS 58 Cb 0.25 -5.30 -0.05 0.00 -0.02 0.00 0.00 35.03 29.91 1y9k n LYS 58 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1y9k n THR 59 N -3.25 0.00 -3.62 -0.18 -1.04 -0.88 0.27 114.28 105.58 1y9k n THR 59 Ca -0.19 -1.82 -0.13 0.00 -2.04 0.00 0.00 64.05 59.87 1y9k n THR 59 Cb 0.61 0.42 -0.07 0.00 -1.82 0.00 0.00 70.33 69.47 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 0.75 0.64 -2.82 2.12 0.11 -0.56 118.70 115.58 1y9k s GLU 61 Ca 0.03 0.75 -0.08 0.00 0.36 0.00 0.00 54.97 56.03 1y9k s GLU 61 Cb 0.00 0.36 0.01 0.00 0.26 0.00 0.00 34.13 34.76 1y9k s GLU 61 CO 0.02 -0.12 0.99 0.42 -0.54 0.00 0.00 175.26 176.03 1y9k s ILE 62 N 0.08 3.63 0.21 -3.70 1.01 0.46 -0.96 121.20 121.92 1y9k s ILE 62 Ca -0.00 0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.58 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 -0.00 -0.56 0.87 -3.20 0.00 0.00 0.00 174.94 172.05 1y9k n ASN 64 N -2.76 0.26 -3.67 3.58 2.85 -1.25 -4.44 115.26 109.83 1y9k n ASN 64 Ca 0.05 1.15 -0.09 0.00 -0.11 0.00 0.00 54.58 55.59 1y9k n ASN 64 Cb 0.57 -1.12 -0.10 0.00 1.24 0.00 0.00 39.78 40.38 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 -0.76 -0.45 -0.01 -1.44 2.07 -1.26 -1.09 121.20 118.27 1y9k s ILE 65 Ca 0.66 0.14 -0.08 0.00 -1.41 0.00 0.00 60.65 59.96 1y9k s ILE 65 Cb -0.86 -0.66 0.01 0.00 0.13 0.00 0.00 42.46 41.07 1y9k s ILE 65 CO 0.57 0.06 0.17 0.00 -1.91 0.00 0.00 174.94 173.82 1y9k s ALA 66 N 2.22 -0.42 0.09 1.50 0.00 -0.59 -4.82 121.76 119.74 1y9k s ALA 66 Ca -0.04 0.02 0.10 0.00 0.00 0.00 0.00 51.96 52.03 1y9k s ALA 66 Cb -0.11 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1y9k s ALA 66 CO -0.13 -0.20 -0.26 0.08 0.00 0.00 0.00 175.76 175.24 1y9k s VAL 67 N -1.21 2.24 0.29 0.00 1.01 -1.26 -1.39 120.40 120.08 1y9k s VAL 67 Ca -0.13 -1.59 -0.29 0.00 0.00 0.00 0.00 61.98 59.98 1y9k s VAL 67 Cb -0.07 -1.94 -0.14 0.00 0.00 0.00 0.00 36.38 34.23 1y9k s VAL 67 CO 0.02 0.21 1.15 0.00 0.00 0.00 0.00 175.10 176.47 1y9k n ALA 68 N 1.27 0.31 -0.27 5.51 0.00 -0.08 -4.88 120.51 122.38 1y9k n ALA 68 Ca -0.17 0.39 0.08 0.00 0.00 0.00 0.00 53.44 53.73 1y9k n ALA 68 Cb 0.53 -2.12 0.22 0.00 0.00 0.00 0.00 19.45 18.08 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 2.51 0.33 0.00 0.00 5.08 -1.99 -0.76 114.58 119.75 1y9k h GLU 69 Ca -0.42 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1y9k h GLU 69 Cb 1.32 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1y9k h GLU 69 CO 0.64 0.22 0.00 -2.39 -1.00 0.00 0.00 179.01 176.48 1y9k n HIS 70 N -5.10 0.00 -0.45 4.33 1.44 -1.26 -3.96 115.22 110.22 1y9k n HIS 70 Ca 0.16 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.94 1y9k n HIS 70 Cb 0.50 -0.16 0.21 0.00 0.12 0.00 0.00 29.99 30.66 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 -1.16 3.39 -4.78 2.39 4.77 -0.29 -5.01 117.00 116.30 1y9k n LEU 71 Ca 0.18 -2.33 -0.34 0.00 -0.03 0.00 0.00 56.01 53.48 1y9k n LEU 71 Cb 0.18 -0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 1y9k n LEU 71 CO 0.20 0.73 0.75 -1.10 -1.33 0.00 0.00 177.39 176.64 1y9k s GLN 72 N -1.60 3.46 -0.07 3.23 -0.21 -1.25 -3.28 119.66 119.94 1y9k s GLN 72 Ca 0.32 1.47 0.00 0.00 0.02 0.00 0.00 55.36 57.17 1y9k s GLN 72 Cb 0.21 -2.03 0.00 0.00 1.00 0.00 0.00 33.01 32.18 1y9k s GLN 72 CO 0.15 -0.74 0.00 0.41 -2.12 0.00 0.00 175.29 172.99 1y9k n GLY 73 N -0.14 0.48 0.42 3.09 0.00 -1.26 -4.91 105.19 102.86 1y9k n GLY 73 Ca 0.10 -0.27 0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.67 1.82 -0.58 1.61 5.02 -1.21 -5.00 118.16 117.16 1y9k n LYS 74 Ca -0.01 -1.55 0.00 0.00 -2.02 0.00 0.00 58.31 54.74 1y9k n LYS 74 Cb 0.06 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1y9k n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y9k n GLY 75 N 0.34 0.65 0.14 0.72 0.00 -1.26 -4.97 105.19 100.80 1y9k n GLY 75 Ca 0.07 -0.54 -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 1.17 -0.35 -0.61 2.04 -1.94 -3.13 117.51 114.69 1y9k h ILE 76 Ca 0.00 -2.69 0.07 0.00 1.00 0.00 0.00 64.86 63.24 1y9k h ILE 76 Cb 0.00 2.90 -0.07 0.00 -0.74 0.00 0.00 36.82 38.91 1y9k h ILE 76 CO 0.00 0.84 -0.12 1.23 0.00 0.00 0.00 178.15 180.09 1y9k h GLY 77 N 0.69 0.19 0.48 5.37 0.00 -1.94 0.41 103.07 108.27 1y9k h GLY 77 Ca -0.27 0.16 0.09 0.00 0.00 0.00 0.00 47.33 47.31 1y9k h GLY 77 CO 0.22 -0.16 0.34 1.70 0.00 0.00 0.00 176.54 178.64 1y9k h LYS 78 N -0.05 0.56 0.00 4.80 3.64 -1.98 -0.93 116.57 122.61 1y9k h LYS 78 Ca 0.17 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1y9k h LYS 78 Cb 0.31 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1y9k h LYS 78 CO -0.38 0.37 -0.29 1.57 -2.27 0.00 0.00 179.45 178.45 1y9k h LYS 79 N 0.58 0.00 -0.26 1.90 2.10 -1.31 -1.01 116.57 118.57 1y9k h LYS 79 Ca 0.34 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.95 1y9k h LYS 79 Cb 0.35 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 1y9k h LYS 79 CO -0.27 0.29 0.02 -0.07 -2.00 0.00 0.00 179.45 177.42 1y9k h LEU 80 N 0.00 0.43 -0.13 7.07 3.38 -0.58 -2.73 115.31 122.75 1y9k h LEU 80 Ca -0.00 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.71 1y9k h LEU 80 Cb 1.20 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1y9k h LEU 80 CO 0.04 0.61 -0.04 -0.07 0.09 0.00 0.00 178.44 179.07 1y9k h LEU 81 N 0.24 -0.13 -1.26 1.67 4.07 -0.98 0.11 115.31 119.02 1y9k h LEU 81 Ca 0.08 0.04 0.06 0.00 0.08 0.00 0.00 57.88 58.13 1y9k h LEU 81 Cb 0.38 0.09 -0.05 0.00 1.08 0.00 0.00 40.66 42.15 1y9k h LEU 81 CO 0.01 -0.05 0.53 0.03 -1.08 0.00 0.00 178.44 177.88 1y9k h ARG 82 N -0.01 0.89 -0.09 1.13 2.47 -1.24 0.18 114.38 117.72 1y9k h ARG 82 Ca 0.06 -0.05 -0.16 0.00 -1.26 0.00 0.00 59.98 58.57 1y9k h ARG 82 Cb 0.10 -0.20 0.01 0.00 -1.65 0.00 0.00 29.97 28.23 1y9k h ARG 82 CO -0.14 0.59 -0.56 1.25 0.56 0.00 0.00 179.97 181.67 1y9k h HIS 83 N 0.92 0.74 -0.75 3.04 2.76 -1.15 -1.62 115.15 119.08 1y9k h HIS 83 Ca 0.34 -0.34 0.09 0.00 -2.20 0.00 0.00 60.37 58.26 1y9k h HIS 83 Cb 0.17 -0.11 -0.07 0.00 1.55 0.00 0.00 27.41 28.95 1y9k h HIS 83 CO -0.00 1.13 0.40 0.00 -1.30 0.00 0.00 177.93 178.16 1y9k h ALA 84 N 0.46 1.06 -0.45 5.26 0.00 -0.40 0.81 119.26 125.99 1y9k h ALA 84 Ca -0.05 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1y9k h ALA 84 Cb 1.22 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1y9k h ALA 84 CO 0.12 0.01 0.22 0.28 0.00 0.00 0.00 179.25 179.88 1y9k h VAL 85 N 0.68 1.18 -0.82 0.00 2.07 -0.85 -1.52 116.25 116.99 1y9k h VAL 85 Ca 0.37 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1y9k h VAL 85 Cb 0.36 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1y9k h VAL 85 CO -0.26 0.20 0.38 -0.08 0.02 0.00 0.00 177.57 177.83 1y9k h GLU 86 N 0.59 1.19 -0.26 1.57 4.81 -0.80 -1.19 114.58 120.49 1y9k h GLU 86 Ca 0.16 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1y9k h GLU 86 Cb 0.11 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1y9k h GLU 86 CO -0.02 0.93 -0.19 1.15 -0.73 0.00 0.00 179.01 180.15 1y9k h THR 87 N 1.17 1.31 -0.04 0.32 2.02 -0.67 -1.07 112.91 115.96 1y9k h THR 87 Ca 0.28 -1.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.14 1y9k h THR 87 Cb 0.14 1.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1y9k h THR 87 CO -0.03 0.41 0.02 0.00 0.37 0.00 0.00 175.52 176.29 1y9k h ALA 88 N 0.70 0.05 -0.83 6.16 0.00 -1.16 -1.22 119.26 122.96 1y9k h ALA 88 Ca 0.05 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.00 1y9k h ALA 88 Cb 0.72 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 1y9k h ALA 88 CO 0.05 -0.37 0.44 -0.22 0.00 0.00 0.00 179.25 179.15 1y9k h LYS 89 N -0.08 0.67 0.00 0.00 3.64 -1.23 -1.80 116.57 117.76 1y9k h LYS 89 Ca 0.01 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1y9k h LYS 89 Cb 0.15 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1y9k h LYS 89 CO -0.00 0.44 -0.20 0.78 -2.27 0.00 0.00 179.45 178.20 1y9k h GLY 90 N 0.69 0.00 0.96 5.01 0.00 -0.81 -2.52 103.07 106.39 1y9k h GLY 90 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1y9k h GLY 90 CO -0.31 0.00 -0.10 -1.72 0.00 0.00 0.00 176.54 174.41 1y9k n TYR 91 N -3.43 0.00 -0.55 5.60 4.02 -0.50 -5.08 117.16 117.23 1y9k n TYR 91 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1y9k n TYR 91 Cb 0.39 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 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 1.27 -1.16 0.00 2.72 0.00 -0.95 -5.09 105.19 101.98 1y9k n GLY 92 Ca 0.15 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1y9k n GLY 92 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1y9k n SER 94 N -0.01 0.00 -3.79 1.61 7.64 0.14 -4.94 113.62 114.27 1y9k n SER 94 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1y9k n SER 94 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 1y9k n SER 94 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1y9k s LYS 95 N -0.18 0.18 -0.13 1.43 2.20 -0.84 0.54 119.74 122.94 1y9k s LYS 95 Ca 0.00 0.29 0.03 0.00 -0.36 0.00 0.00 55.97 55.93 1y9k s LYS 95 Cb 0.00 0.02 0.01 0.00 -1.51 0.00 0.00 37.83 36.35 1y9k s LYS 95 CO 0.00 -0.06 -0.22 -1.17 -0.36 0.00 0.00 175.35 173.54 1y9k s LEU 96 N 0.40 2.16 0.18 5.43 2.96 -1.26 -4.24 118.68 124.31 1y9k s LEU 96 Ca -0.03 -0.57 0.09 0.00 -0.22 0.00 0.00 54.13 53.40 1y9k s LEU 96 Cb -0.04 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 1y9k s LEU 96 CO -0.02 0.11 -0.09 -1.61 -1.32 0.00 0.00 176.35 173.42 1y9k s GLU 97 N 0.66 2.08 -0.13 1.98 2.02 -1.26 -4.30 118.70 119.75 1y9k s GLU 97 Ca -0.11 -1.27 -0.18 0.00 0.02 0.00 0.00 54.97 53.43 1y9k s GLU 97 Cb -0.16 -2.16 0.05 0.00 0.10 0.00 0.00 34.13 31.95 1y9k s GLU 97 CO 0.02 0.43 0.47 0.54 0.02 0.00 0.00 175.26 176.74 1y9k s VAL 98 N -1.74 0.01 0.09 2.63 0.11 -0.60 -0.41 120.40 120.50 1y9k s VAL 98 Ca 0.25 -0.11 0.09 0.00 -2.93 0.00 0.00 61.98 59.28 1y9k s VAL 98 Cb -0.09 -0.71 -0.03 0.00 -1.53 0.00 0.00 36.38 34.02 1y9k s VAL 98 CO 0.15 -0.06 -0.23 -0.83 -3.33 0.00 0.00 175.10 170.81 1y9k s GLY 99 N -0.31 1.29 0.11 6.54 0.00 -1.26 -0.17 107.32 113.52 1y9k s GLY 99 Ca -0.05 -1.24 -0.07 0.00 0.00 0.00 0.00 44.72 43.37 1y9k s GLY 99 CO 0.03 -1.20 0.17 -1.08 0.00 0.00 0.00 173.10 171.01 1y9k s THR 100 N -1.00 0.13 0.83 0.90 -1.32 -0.39 -4.95 115.64 109.83 1y9k s THR 100 Ca 0.09 -1.43 -0.12 0.00 -1.21 0.00 0.00 61.69 59.02 1y9k s THR 100 Cb -0.10 -1.61 0.10 0.00 -1.51 0.00 0.00 72.50 69.38 1y9k s THR 100 CO 0.04 -0.57 1.16 -0.83 -2.21 0.00 0.00 174.62 172.20 1y9k s GLY 101 N -2.93 1.90 0.52 6.08 0.00 -1.26 0.26 107.32 111.90 1y9k s GLY 101 Ca 0.11 0.63 0.23 0.00 0.00 0.00 0.00 44.72 45.70 1y9k s GLY 101 CO -0.06 1.03 2.11 3.45 0.00 0.00 0.00 173.10 179.64 1y9k h ASN 102 N -1.23 0.00 0.95 1.64 -1.07 -1.56 -2.39 115.58 111.92 1y9k h ASN 102 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.92 1y9k h ASN 102 Cb 1.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.52 1y9k h ASN 102 CO 0.46 0.09 -0.21 -1.54 0.07 0.00 0.00 177.43 176.29 1y9k n SER 103 N -3.99 0.37 -3.61 6.14 3.41 -1.26 -4.54 113.62 110.14 1y9k n SER 103 Ca -0.02 0.28 -0.41 0.00 -0.26 0.00 0.00 58.87 58.45 1y9k n SER 103 Cb 0.18 -0.28 -0.01 0.00 -0.26 0.00 0.00 64.21 63.84 1y9k n SER 103 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1y9k n SER 104 N -1.73 5.96 0.10 4.04 7.64 -0.90 -4.74 113.62 123.99 1y9k n SER 104 Ca 0.06 -2.85 -0.00 0.00 1.01 0.00 0.00 58.87 57.08 1y9k n SER 104 Cb 0.37 -1.56 0.30 0.00 -1.01 0.00 0.00 64.21 62.31 1y9k n SER 104 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1y9k h VAL 105 N 3.51 1.25 -0.27 0.44 -1.51 -1.85 -0.68 116.25 117.13 1y9k h VAL 105 Ca 0.64 -1.18 -0.04 0.00 -1.23 0.00 0.00 66.70 64.90 1y9k h VAL 105 Cb 0.50 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 31.10 1y9k h VAL 105 CO 1.76 0.36 0.03 0.28 -1.23 0.00 0.00 177.57 178.77 1y9k h SER 106 N 0.22 0.44 -0.32 4.19 0.02 -1.99 -0.97 113.55 115.14 1y9k h SER 106 Ca 0.03 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1y9k h SER 106 Cb 0.61 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1y9k h SER 106 CO 0.04 0.61 0.20 1.56 -1.14 0.00 0.00 176.83 178.10 1y9k h GLN 107 N 0.27 0.43 -0.66 3.45 4.20 -1.89 0.74 115.11 121.64 1y9k h GLN 107 Ca 0.08 -0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.83 1y9k h GLN 107 Cb 0.36 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 1y9k h GLN 107 CO 0.01 0.32 0.34 -0.07 -0.67 0.00 0.00 178.83 178.76 1y9k h LEU 108 N 0.42 0.46 0.00 1.46 3.38 -1.06 0.42 115.31 120.39 1y9k h LEU 108 Ca 0.12 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1y9k h LEU 108 Cb -0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1y9k h LEU 108 CO -0.02 0.28 -0.01 0.00 0.09 0.00 0.00 178.44 178.78 1y9k h ALA 109 N 1.38 -0.01 0.04 1.53 0.00 -0.89 -2.96 119.26 118.35 1y9k h ALA 109 Ca 0.31 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1y9k h ALA 109 Cb 0.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1y9k h ALA 109 CO -0.23 -0.51 -0.02 1.25 0.00 0.00 0.00 179.25 179.74 1y9k h LEU 110 N -0.02 -0.04 -0.86 0.00 5.85 -0.02 -1.67 115.31 118.54 1y9k h LEU 110 Ca 0.00 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1y9k h LEU 110 Cb 0.02 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1y9k h LEU 110 CO -0.01 0.08 0.56 1.88 -0.34 0.00 0.00 178.44 180.61 1y9k h TYR 111 N -0.16 1.05 -0.13 1.25 0.05 -0.26 -1.24 116.97 117.53 1y9k h TYR 111 Ca -0.01 0.03 -0.19 0.00 0.05 0.00 0.00 58.73 58.61 1y9k h TYR 111 Cb 0.14 -0.35 -0.00 0.00 1.01 0.00 0.00 36.73 37.53 1y9k h TYR 111 CO -0.04 0.62 -0.69 1.96 -1.05 0.00 0.00 178.16 178.95 1y9k h GLN 112 N 1.10 0.56 -0.23 4.88 4.20 -1.48 -0.98 115.11 123.16 1y9k h GLN 112 Ca 0.34 -0.43 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 1y9k h GLN 112 Cb -0.02 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1y9k h GLN 112 CO -0.11 1.05 -0.05 -0.22 -0.67 0.00 0.00 178.83 178.84 1y9k h LYS 113 N 0.40 0.35 -0.00 1.46 3.64 -0.91 -1.86 116.57 119.64 1y9k h LYS 113 Ca -0.03 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1y9k h LYS 113 Cb 1.28 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1y9k h LYS 113 CO 0.13 0.42 -0.03 0.00 -2.27 0.00 0.00 179.45 177.70 1y9k n GLY 115 N 1.13 0.78 3.74 0.00 0.00 -0.70 -5.06 105.19 105.09 1y9k n GLY 115 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 3.80 -0.12 1.61 0.40 -0.42 -4.85 117.98 116.40 1y9k s PHE 116 Ca 0.00 1.79 -0.01 0.00 -0.60 0.00 0.00 56.93 58.11 1y9k s PHE 116 Cb 0.00 -3.10 -0.02 0.00 0.51 0.00 0.00 43.02 40.41 1y9k s PHE 116 CO 0.00 0.03 -0.10 0.50 0.70 0.00 0.00 175.22 176.35 1y9k s ARG 117 N -0.72 3.31 0.12 0.44 3.52 -0.31 -3.80 118.95 121.51 1y9k s ARG 117 Ca 0.45 -0.62 -0.31 0.00 -0.13 0.00 0.00 55.73 55.11 1y9k s ARG 117 Cb -0.27 -2.68 -0.09 0.00 -1.56 0.00 0.00 34.95 30.35 1y9k s ARG 117 CO 0.33 0.31 1.64 0.42 -0.81 0.00 0.00 175.30 177.20 1y9k s ILE 118 N 0.11 2.77 0.00 4.11 1.01 -1.26 -0.81 121.20 127.14 1y9k s ILE 118 Ca -0.04 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.00 1y9k s ILE 118 Cb -0.14 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.07 1y9k s ILE 118 CO 0.04 0.01 0.00 2.22 0.00 0.00 0.00 174.94 177.21 1y9k n PHE 119 N 4.91 0.00 -3.87 3.97 1.16 0.37 -4.95 117.46 119.04 1y9k n PHE 119 Ca 0.15 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.65 1y9k n PHE 119 Cb 0.39 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.25 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 -1.74 -0.06 -0.03 5.98 0.15 -1.20 -5.03 113.70 111.77 1y9k s SER 120 Ca 0.00 -0.91 0.01 0.00 0.70 0.00 0.00 55.95 55.75 1y9k s SER 120 Cb 0.00 0.75 0.02 0.00 -1.71 0.00 0.00 66.02 65.09 1y9k s SER 120 CO 0.00 -1.45 -0.02 -0.63 1.20 0.00 0.00 173.24 172.34 1y9k s ILE 121 N -3.26 0.31 -0.64 6.45 1.01 -1.26 -1.57 121.20 122.23 1y9k s ILE 121 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 60.65 60.64 1y9k s ILE 121 Cb -0.05 -0.37 0.15 0.00 0.01 0.00 0.00 42.46 42.20 1y9k s ILE 121 CO 0.10 0.17 0.64 -0.62 0.00 0.00 0.00 174.94 175.22 1y9k s ASP 122 N 0.94 6.35 0.26 3.58 -1.08 -1.26 -5.00 116.67 120.46 1y9k s ASP 122 Ca -0.11 -1.96 -0.30 0.00 -0.52 0.00 0.00 52.55 49.66 1y9k s ASP 122 Cb -0.14 -2.24 -0.10 0.00 -1.46 0.00 0.00 42.92 38.98 1y9k s ASP 122 CO -0.01 -0.85 1.45 -0.36 0.52 0.00 0.00 175.17 175.93 1y9k s PHE 123 N 1.49 2.98 -1.45 -5.34 0.40 -1.26 -3.03 117.98 111.77 1y9k s PHE 123 Ca 0.10 1.02 0.00 0.00 -0.60 0.00 0.00 56.93 57.45 1y9k s PHE 123 Cb -0.23 -3.84 0.00 0.00 0.51 0.00 0.00 43.02 39.46 1y9k s PHE 123 CO 0.00 -2.73 0.00 -0.25 0.70 0.00 0.00 175.22 172.94 1y9k n ASP 124 N 2.19 -5.26 -0.11 1.36 8.00 -1.17 -4.91 116.55 116.67 1y9k n ASP 124 Ca 0.06 0.34 -0.06 0.00 0.71 0.00 0.00 54.79 55.84 1y9k n ASP 124 Cb 0.40 -3.96 -0.00 0.00 -0.02 0.00 0.00 41.12 37.54 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 -0.64 -0.12 1.24 3.20 -1.40 -0.98 116.97 118.27 1y9k h TYR 125 Ca -0.28 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.55 1y9k h TYR 125 Cb 1.09 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.69 1y9k h TYR 125 CO 0.51 -0.32 -0.32 0.74 -1.64 0.00 0.00 178.16 177.14 1y9k h PHE 126 N -0.18 0.26 -0.58 -3.82 -1.00 -1.80 -2.45 116.94 107.37 1y9k h PHE 126 Ca 0.18 -0.06 -0.10 0.00 2.81 0.00 0.00 57.97 60.81 1y9k h PHE 126 Cb 0.47 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.95 1y9k h PHE 126 CO -0.46 0.53 -0.02 0.77 -1.61 0.00 0.00 178.31 177.52 1y9k h SER 127 N 0.21 1.02 -0.72 2.17 0.02 -1.54 -1.73 113.55 112.97 1y9k h SER 127 Ca 0.03 -0.30 -0.27 0.00 -0.84 0.00 0.00 61.79 60.41 1y9k h SER 127 Cb 0.67 -0.27 -0.16 0.00 0.14 0.00 0.00 62.40 62.77 1y9k h SER 127 CO 0.05 1.08 0.35 2.29 -1.14 0.00 0.00 176.83 179.46 1y9k n LYS 128 N -4.17 3.00 0.00 3.45 2.85 -0.44 -4.21 118.16 118.64 1y9k n LYS 128 Ca 0.03 -2.66 0.00 0.00 -1.05 0.00 0.00 58.31 54.63 1y9k n LYS 128 Cb 0.36 -2.08 0.00 0.00 -0.65 0.00 0.00 35.03 32.65 1y9k n LYS 128 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1y9k n HIS 129 N -0.35 0.00 -4.19 5.58 8.25 -0.95 -5.03 115.22 118.53 1y9k n HIS 129 Ca 0.41 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.66 1y9k n HIS 129 Cb 1.35 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 32.29 1y9k n HIS 129 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1y9k s TYR 130 N -1.13 0.84 0.10 4.41 1.51 -0.67 -5.01 117.35 117.41 1y9k s TYR 130 Ca 0.00 -0.25 -0.21 0.00 -1.01 0.00 0.00 57.07 55.60 1y9k s TYR 130 Cb 0.00 -0.73 -0.10 0.00 -0.11 0.00 0.00 41.96 41.02 1y9k s TYR 130 CO 0.00 -0.21 1.72 1.49 -1.11 0.00 0.00 175.55 177.44 1y9k h GLU 131 N 7.22 0.18 -6.30 -0.62 4.81 -1.85 -3.42 114.58 114.60 1y9k h GLU 131 Ca -0.36 -0.02 -0.56 0.00 -0.13 0.00 0.00 59.36 58.29 1y9k h GLU 131 Cb 1.16 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 1y9k h GLU 131 CO 0.46 0.17 -0.01 -2.00 -0.73 0.00 0.00 179.01 176.91 1y9k s GLU 132 N -5.98 4.22 0.35 1.92 2.12 -1.26 -5.05 118.70 115.02 1y9k s GLU 132 Ca -0.13 0.76 -0.29 0.00 0.36 0.00 0.00 54.97 55.68 1y9k s GLU 132 Cb 0.07 -3.17 -0.11 0.00 0.26 0.00 0.00 34.13 31.18 1y9k s GLU 132 CO 0.69 0.59 1.46 -2.00 -0.54 0.00 0.00 175.26 175.46 1y9k s GLU 133 N -1.29 4.17 -0.14 4.30 2.12 -1.26 -5.01 118.70 121.59 1y9k s GLU 133 Ca 0.32 2.49 -0.03 0.00 0.36 0.00 0.00 54.97 58.11 1y9k s GLU 133 Cb -0.19 -3.00 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 1y9k s GLU 133 CO 0.20 -0.47 -0.05 0.42 -0.54 0.00 0.00 175.26 174.82 1y9k s ILE 134 N -0.93 3.82 -0.09 -3.70 1.01 -1.26 -5.07 121.20 114.99 1y9k s ILE 134 Ca 0.54 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.81 1y9k s ILE 134 Cb -0.45 -2.65 0.01 0.00 0.01 0.00 0.00 42.46 39.38 1y9k s ILE 134 CO 0.58 0.52 -0.13 -0.63 0.00 0.00 0.00 174.94 175.28 1y9k s ILE 135 N 0.12 1.27 -0.04 2.92 1.01 -1.26 -0.48 121.20 124.74 1y9k s ILE 135 Ca -0.01 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.15 1y9k s ILE 135 Cb -0.14 -1.17 -0.00 0.00 0.01 0.00 0.00 42.46 41.16 1y9k s ILE 135 CO 0.03 0.39 -0.17 -1.61 0.00 0.00 0.00 174.94 173.58 1y9k s GLU 136 N 0.88 1.79 -1.04 2.79 2.02 0.04 -4.81 118.70 120.38 1y9k s GLU 136 Ca -0.10 -0.62 -0.05 0.00 0.02 0.00 0.00 54.97 54.23 1y9k s GLU 136 Cb -0.15 -1.56 0.04 0.00 0.10 0.00 0.00 34.13 32.55 1y9k s GLU 136 CO 0.01 0.25 0.23 0.09 0.02 0.00 0.00 175.26 175.86 1y9k n ASN 137 N 3.12 -3.41 0.00 -0.19 4.13 -1.26 0.27 115.26 117.92 1y9k n ASN 137 Ca -0.18 -0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.03 1y9k n ASN 137 Cb 0.53 -2.88 0.00 0.00 -1.54 0.00 0.00 39.78 35.89 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 -0.94 0.56 3.36 7.41 0.00 -1.26 -5.04 105.19 109.29 1y9k n GLY 138 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.25 2.83 0.06 -0.61 1.01 0.14 -5.10 121.20 117.29 1y9k s ILE 139 Ca 0.00 -0.76 -0.31 0.00 0.00 0.00 0.00 60.65 59.59 1y9k s ILE 139 Cb 0.00 -2.15 -0.08 0.00 0.01 0.00 0.00 42.46 40.24 1y9k s ILE 139 CO 0.00 0.55 1.65 -0.69 0.00 0.00 0.00 174.94 176.44 1y9k s VAL 140 N 0.08 3.10 -0.74 2.92 1.01 -1.26 -0.78 120.40 124.72 1y9k s VAL 140 Ca -0.07 0.52 -0.25 0.00 0.00 0.00 0.00 61.98 62.18 1y9k s VAL 140 Cb -0.15 -3.33 0.05 0.00 0.00 0.00 0.00 36.38 32.95 1y9k s VAL 140 CO 0.05 -0.01 1.17 0.00 0.00 0.00 0.00 175.10 176.31 1y9k n ARG 142 N 8.60 0.21 0.00 0.00 0.63 -1.26 -4.54 116.66 120.30 1y9k n ARG 142 Ca 0.03 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 1y9k n ARG 142 Cb 0.48 -1.01 0.00 0.00 0.45 0.00 0.00 32.46 32.38 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 -3.10 0.00 -3.65 6.15 8.00 -1.26 -2.55 116.55 120.14 1y9k n ASP 143 Ca -0.17 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.27 1y9k n ASP 143 Cb 0.65 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.69 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 3.96 -0.38 -0.19 0.53 -1.09 0.14 -1.40 121.20 122.78 1y9k s ILE 145 Ca 0.00 0.02 -0.08 0.00 -2.23 0.00 0.00 60.65 58.36 1y9k s ILE 145 Cb 0.00 -0.94 -0.04 0.00 -1.58 0.00 0.00 42.46 39.90 1y9k s ILE 145 CO 0.00 0.01 0.09 -0.13 -1.23 0.00 0.00 174.94 173.68 1y9k s ARG 146 N 2.11 4.03 0.16 2.79 1.81 -0.61 -1.26 118.95 127.97 1y9k s ARG 146 Ca -0.08 -0.30 0.08 0.00 -1.72 0.00 0.00 55.73 53.71 1y9k s ARG 146 Cb -0.08 -3.28 -0.04 0.00 -0.45 0.00 0.00 34.95 31.10 1y9k s ARG 146 CO -0.18 0.30 -0.17 -0.51 -0.68 0.00 0.00 175.30 174.05 1y9k s LEU 147 N 0.32 2.43 0.00 2.53 1.02 0.76 -0.48 118.68 125.26 1y9k s LEU 147 Ca 0.05 -0.85 0.00 0.00 0.02 0.00 0.00 54.13 53.35 1y9k s LEU 147 Cb -0.12 -0.78 0.00 0.00 0.02 0.00 0.00 46.19 45.32 1y9k s LEU 147 CO -0.01 -0.06 0.00 0.00 0.02 0.00 0.00 176.35 176.31 1y9k n ALA 148 N 0.33 0.00 -3.58 4.21 0.00 0.01 -1.55 120.51 119.93 1y9k n ALA 148 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.02 1y9k n ALA 148 Cb 0.57 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.85 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 0.05 2.19 0.25 0.00 0.41 -1.26 -1.16 118.70 119.18 1y9k s GLU 150 Ca 0.00 -0.56 0.06 0.00 -0.41 0.00 0.00 54.97 54.06 1y9k s GLU 150 Cb 0.00 -1.83 -0.03 0.00 -1.78 0.00 0.00 34.13 30.49 1y9k s GLU 150 CO 0.00 -0.02 0.30 -0.51 -0.49 0.00 0.00 175.26 174.53 1y9k s LEU 151 N 0.87 4.12 0.00 1.80 1.43 0.19 -4.95 118.68 122.14 1y9k s LEU 151 Ca -0.09 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1y9k s LEU 151 Cb -0.15 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.41 1y9k s LEU 151 CO 0.00 -0.06 0.00 -3.20 0.23 0.00 0.00 176.35 173.32