#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwm s ALA 1 N 0.00 3.61 -0.25 -5.12 0.00 -1.26 -4.89 121.76 113.86 1pwm s ALA 1 Ca 0.00 1.59 0.28 0.00 0.00 0.00 0.00 51.96 53.83 1pwm s ALA 1 Cb 0.00 -3.62 0.91 0.00 0.00 0.00 0.00 23.12 20.40 1pwm s ALA 1 CO 0.00 -1.07 1.80 0.66 0.00 0.00 0.00 175.76 177.15 1pwm h SER 2 N 3.29 0.00 -4.14 0.00 4.64 -2.02 -3.46 113.55 111.85 1pwm h SER 2 Ca -0.50 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.40 1pwm h SER 2 Cb 1.24 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.14 1pwm h SER 2 CO 0.67 0.00 -0.76 -0.13 -0.87 0.00 0.00 176.83 175.73 1pwm s ARG 3 N -3.41 0.99 -0.04 4.77 0.52 -1.26 -1.09 118.95 119.43 1pwm s ARG 3 Ca 0.05 -1.18 0.06 0.00 -0.52 0.00 0.00 55.73 54.13 1pwm s ARG 3 Cb 0.08 -0.90 -0.02 0.00 0.52 0.00 0.00 34.95 34.63 1pwm s ARG 3 CO 0.57 0.18 -0.20 -1.50 0.02 0.00 0.00 175.30 174.37 1pwm s ILE 4 N -1.96 2.57 -0.06 1.52 2.07 -0.03 -4.88 121.20 120.43 1pwm s ILE 4 Ca 0.07 -0.91 -0.30 0.00 -1.41 0.00 0.00 60.65 58.10 1pwm s ILE 4 Cb -0.06 -1.96 -0.02 0.00 0.13 0.00 0.00 42.46 40.55 1pwm s ILE 4 CO 0.03 0.59 1.02 -0.22 -1.91 0.00 0.00 174.94 174.45 1pwm s LEU 5 N -0.66 4.30 0.43 8.50 2.96 -1.26 -0.72 118.68 132.22 1pwm s LEU 5 Ca 0.10 1.62 -0.01 0.00 -0.22 0.00 0.00 54.13 55.63 1pwm s LEU 5 Cb -0.10 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 1pwm s LEU 5 CO -0.00 -0.40 0.66 -0.76 -1.32 0.00 0.00 176.35 174.53 1pwm s LEU 6 N 1.65 3.75 0.00 -0.68 1.43 -0.00 -4.98 118.68 119.86 1pwm s LEU 6 Ca 0.51 0.46 0.13 0.00 -1.03 0.00 0.00 54.13 54.20 1pwm s LEU 6 Cb -0.20 -3.35 0.80 0.00 0.03 0.00 0.00 46.19 43.47 1pwm s LEU 6 CO 0.22 -0.56 1.32 -0.46 0.23 0.00 0.00 176.35 177.10 1pwm n ASN 7 N -2.03 0.00 -0.97 2.29 0.23 -1.26 -0.88 115.26 112.64 1pwm n ASN 7 Ca -0.01 -1.04 0.12 0.00 -0.53 0.00 0.00 54.58 53.13 1pwm n ASN 7 Cb 0.57 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 38.46 1pwm n ASN 7 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1pwm n ASN 8 N -0.79 2.97 0.00 0.53 6.94 -1.26 -4.98 115.26 118.67 1pwm n ASN 8 Ca 0.10 -1.94 0.00 0.00 -0.02 0.00 0.00 54.58 52.72 1pwm n ASN 8 Cb 0.05 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 1pwm n ASN 8 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1pwm n GLY 9 N 1.38 1.14 3.93 4.83 0.00 -0.06 -5.05 105.19 111.36 1pwm n GLY 9 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1pwm n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pwm s ALA 10 N -3.03 3.72 -0.12 4.61 0.00 -1.26 -4.87 121.76 120.81 1pwm s ALA 10 Ca 0.00 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 1pwm s ALA 10 Cb 0.00 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 1pwm s ALA 10 CO 0.00 0.13 0.04 0.15 0.00 0.00 0.00 175.76 176.08 1pwm s LYS 11 N -3.96 3.33 -0.15 0.00 1.02 -1.26 -0.82 119.74 117.90 1pwm s LYS 11 Ca 0.40 -0.34 0.01 0.00 0.02 0.00 0.00 55.97 56.06 1pwm s LYS 11 Cb -0.10 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 1pwm s LYS 11 CO 0.33 0.61 -0.17 1.41 -0.92 0.00 0.00 175.35 176.61 1pwm s MET 12 N -0.59 3.17 0.24 1.68 -2.45 0.10 -4.90 119.30 116.56 1pwm s MET 12 Ca 0.11 -0.78 -0.31 0.00 -1.25 0.00 0.00 55.69 53.46 1pwm s MET 12 Cb -0.12 -2.57 -0.11 0.00 1.25 0.00 0.00 34.83 33.28 1pwm s MET 12 CO 0.02 0.03 1.62 -2.14 1.05 0.00 0.00 175.02 175.60 1pwm s PRO 13 N 0.77 4.15 0.28 4.11 0.02 -1.26 -0.85 135.00 142.22 1pwm s PRO 13 Ca -0.07 2.53 0.26 0.00 0.02 0.00 0.00 61.00 63.74 1pwm s PRO 13 Cb -0.16 -3.07 0.92 0.00 0.02 0.00 0.00 34.50 32.21 1pwm s PRO 13 CO 0.00 -0.65 1.76 -0.84 -0.33 0.00 0.00 177.00 176.94 1pwm h ILE 14 N 3.64 0.00 -3.93 2.83 3.07 -1.45 -3.41 117.51 118.25 1pwm h ILE 14 Ca -0.45 -0.40 -0.69 0.00 1.55 0.00 0.00 64.86 64.87 1pwm h ILE 14 Cb 1.21 1.28 -0.32 0.00 -0.27 0.00 0.00 36.82 38.72 1pwm h ILE 14 CO 0.86 0.00 -0.88 -0.22 -1.05 0.00 0.00 178.15 176.86 1pwm s LEU 15 N -4.79 2.07 0.29 0.16 2.96 -1.26 -0.52 118.68 117.59 1pwm s LEU 15 Ca 0.06 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 1pwm s LEU 15 Cb 0.10 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 1pwm s LEU 15 CO 0.50 0.23 0.14 -0.83 -1.32 0.00 0.00 176.35 175.08 1pwm s GLY 16 N -0.10 1.97 -0.22 7.98 0.00 -0.41 -4.33 107.32 112.21 1pwm s GLY 16 Ca -0.05 -1.77 -0.08 0.00 0.00 0.00 0.00 44.72 42.81 1pwm s GLY 16 CO 0.04 -1.58 0.08 -2.27 0.00 0.00 0.00 173.10 169.37 1pwm s LEU 17 N -3.36 3.72 0.46 0.66 2.96 -0.12 -3.57 118.68 119.43 1pwm s LEU 17 Ca 0.36 -0.03 -0.18 0.00 -0.22 0.00 0.00 54.13 54.07 1pwm s LEU 17 Cb 0.06 -1.97 -0.09 0.00 0.50 0.00 0.00 46.19 44.68 1pwm s LEU 17 CO 0.16 0.08 0.94 -0.83 -1.32 0.00 0.00 176.35 175.37 1pwm s GLY 18 N 0.96 2.21 0.00 7.98 0.00 -0.52 -0.72 107.32 117.24 1pwm s GLY 18 Ca 0.04 0.23 0.00 0.00 0.00 0.00 0.00 44.72 45.00 1pwm s GLY 18 CO 0.03 0.50 0.25 -1.30 0.00 0.00 0.00 173.10 172.57 1pwm n THR 19 N -1.08 0.00 -2.05 0.90 -2.24 -1.15 -4.18 114.28 104.49 1pwm n THR 19 Ca 0.06 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 1pwm n THR 19 Cb 0.54 1.50 -0.03 0.00 -2.10 0.00 0.00 70.33 70.24 1pwm n THR 19 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1pwm s TRP 20 N -0.00 3.01 0.00 4.78 -0.00 -1.26 -2.20 118.94 123.27 1pwm s TRP 20 Ca 0.00 0.72 0.00 0.00 -0.00 0.00 0.00 56.10 56.82 1pwm s TRP 20 Cb 0.00 -3.82 0.00 0.00 -0.00 0.00 0.00 33.47 29.65 1pwm s TRP 20 CO 0.00 -3.02 0.00 1.63 -0.00 0.00 0.00 176.95 175.56 1pwm n LYS 21 N 4.34 0.00 -2.21 5.86 5.02 -1.26 -5.01 118.16 124.90 1pwm n LYS 21 Ca 0.13 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.00 1pwm n LYS 21 Cb 0.41 -1.81 -0.02 0.00 -0.02 0.00 0.00 35.03 33.58 1pwm n LYS 21 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1pwm s SER 22 N -3.24 6.67 0.54 4.39 0.01 -0.93 -4.94 113.70 116.21 1pwm s SER 22 Ca 0.00 1.80 -0.21 0.00 1.31 0.00 0.00 55.95 58.84 1pwm s SER 22 Cb 0.00 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 1pwm s SER 22 CO 0.00 -0.98 1.31 -2.84 0.41 0.00 0.00 173.24 171.14 1pwm s PRO 23 N 4.06 3.18 0.51 12.44 0.02 -1.26 -4.72 135.00 149.23 1pwm s PRO 23 Ca 0.65 2.12 0.17 0.00 0.02 0.00 0.00 61.00 63.96 1pwm s PRO 23 Cb -0.26 -2.23 1.24 0.00 0.02 0.00 0.00 34.50 33.28 1pwm s PRO 23 CO 0.24 -1.12 2.12 -1.00 -0.33 0.00 0.00 177.00 176.91 1pwm h PRO 24 N 1.44 0.00 -0.00 5.54 0.13 -1.92 -0.82 132.00 136.37 1pwm h PRO 24 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1pwm h PRO 24 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1pwm h PRO 24 CO 0.57 0.04 -0.00 0.41 -0.23 0.00 0.00 178.00 178.80 1pwm n GLY 25 N -1.39 -0.80 0.00 1.56 0.00 -1.26 -3.89 105.19 99.41 1pwm n GLY 25 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1pwm n GLY 25 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pwm n GLN 26 N -0.76 3.33 0.15 1.61 6.02 -0.46 -4.82 117.38 122.45 1pwm n GLN 26 Ca 0.23 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.25 1pwm n GLN 26 Cb 0.16 -0.67 0.09 0.00 1.02 0.00 0.00 30.24 30.84 1pwm n GLN 26 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1pwm h VAL 27 N 0.00 0.80 -0.08 5.09 3.04 -1.32 -1.37 116.25 122.41 1pwm h VAL 27 Ca 0.00 -2.02 -0.01 0.00 -1.01 0.00 0.00 66.70 63.66 1pwm h VAL 27 Cb 0.00 2.32 -0.00 0.00 -2.01 0.00 0.00 31.29 31.59 1pwm h VAL 27 CO 0.00 0.44 0.02 0.74 -1.01 0.00 0.00 177.57 177.76 1pwm h THR 28 N 0.00 1.21 -0.88 3.17 2.02 -1.76 -1.51 112.91 115.16 1pwm h THR 28 Ca -0.00 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1pwm h THR 28 Cb 1.28 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 69.13 1pwm h THR 28 CO 0.06 0.18 0.50 -0.08 0.37 0.00 0.00 175.52 176.55 1pwm h GLU 29 N -0.10 1.22 -0.28 6.66 4.57 -1.87 -1.33 114.58 123.45 1pwm h GLU 29 Ca 0.03 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1pwm h GLU 29 Cb 0.27 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1pwm h GLU 29 CO 0.00 0.87 0.16 0.00 -1.18 0.00 0.00 179.01 178.86 1pwm h ALA 30 N 1.33 0.35 -0.34 2.92 0.00 -1.09 -0.00 119.26 122.42 1pwm h ALA 30 Ca 0.31 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 1pwm h ALA 30 Cb -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1pwm h ALA 30 CO -0.05 -0.22 -0.33 0.28 0.00 0.00 0.00 179.25 178.92 1pwm h VAL 31 N 0.32 1.28 -0.17 0.00 2.07 -1.09 -0.21 116.25 118.46 1pwm h VAL 31 Ca 0.11 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.16 1pwm h VAL 31 Cb 0.01 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1pwm h VAL 31 CO -0.06 0.49 0.10 0.11 0.02 0.00 0.00 177.57 178.23 1pwm h LYS 32 N 0.64 0.21 -0.45 1.57 1.57 -0.93 -0.77 116.57 118.41 1pwm h LYS 32 Ca 0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1pwm h LYS 32 Cb 0.86 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1pwm h LYS 32 CO 0.08 0.14 0.29 0.28 -0.57 0.00 0.00 179.45 179.67 1pwm h VAL 33 N 0.22 1.12 -0.11 0.50 2.07 -0.90 -1.19 116.25 117.95 1pwm h VAL 33 Ca 0.06 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.38 1pwm h VAL 33 Cb -0.02 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 1pwm h VAL 33 CO -0.02 0.12 -0.12 0.00 0.02 0.00 0.00 177.57 177.57 1pwm h ALA 34 N 1.15 -0.04 -0.82 1.67 0.00 -0.76 -0.66 119.26 119.80 1pwm h ALA 34 Ca 0.16 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1pwm h ALA 34 Cb -0.05 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1pwm h ALA 34 CO -0.03 -0.57 0.46 0.82 0.00 0.00 0.00 179.25 179.92 1pwm h ILE 35 N -0.15 1.24 -0.50 0.00 2.04 -0.99 0.15 117.51 119.29 1pwm h ILE 35 Ca 0.08 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.38 1pwm h ILE 35 Cb 0.26 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 1pwm h ILE 35 CO -0.20 0.26 0.33 0.44 0.00 0.00 0.00 178.15 178.99 1pwm h ASP 36 N 1.14 0.52 -0.52 1.72 3.32 -0.43 -2.59 116.42 119.57 1pwm h ASP 36 Ca 0.29 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1pwm h ASP 36 Cb 0.02 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1pwm h ASP 36 CO -0.05 0.37 0.00 1.33 -1.72 0.00 0.00 179.24 179.17 1pwm n VAL 37 N -4.47 0.69 0.00 -1.35 0.24 -0.33 -4.94 118.33 108.18 1pwm n VAL 37 Ca 0.05 -0.78 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 1pwm n VAL 37 Cb 0.11 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.07 1pwm n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pwm n GLY 38 N 1.48 1.61 3.77 7.63 0.00 -0.78 -5.01 105.19 113.88 1pwm n GLY 38 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1pwm n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pwm s TYR 39 N -1.93 2.86 0.00 1.61 1.51 -0.03 -4.90 117.35 116.47 1pwm s TYR 39 Ca 0.00 1.37 0.00 0.00 -1.01 0.00 0.00 57.07 57.43 1pwm s TYR 39 Cb 0.00 -3.73 0.00 0.00 -0.11 0.00 0.00 41.96 38.12 1pwm s TYR 39 CO 0.00 -2.16 0.57 0.54 -1.11 0.00 0.00 175.55 173.39 1pwm n ARG 40 N 0.43 0.73 -4.03 -0.62 5.12 -1.26 -4.20 116.66 112.82 1pwm n ARG 40 Ca 0.02 -0.74 -0.21 0.00 -1.93 0.00 0.00 57.85 54.99 1pwm n ARG 40 Cb 0.42 -0.80 -0.17 0.00 -1.16 0.00 0.00 32.46 30.76 1pwm n ARG 40 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1pwm s HIS 41 N -0.33 0.75 -0.09 -1.55 2.46 -1.26 0.01 115.29 115.29 1pwm s HIS 41 Ca 0.00 -0.22 0.03 0.00 0.47 0.00 0.00 55.06 55.35 1pwm s HIS 41 Cb 0.00 -0.72 0.00 0.00 -0.13 0.00 0.00 32.58 31.73 1pwm s HIS 41 CO 0.00 -0.24 -0.20 0.42 -2.47 0.00 0.00 174.74 172.25 1pwm s ILE 42 N 1.26 1.74 -0.27 0.89 -1.09 -0.99 -0.94 121.20 121.79 1pwm s ILE 42 Ca -0.06 -0.83 -0.11 0.00 -2.23 0.00 0.00 60.65 57.42 1pwm s ILE 42 Cb -0.14 -1.52 -0.05 0.00 -1.58 0.00 0.00 42.46 39.17 1pwm s ILE 42 CO -0.02 0.49 0.20 -0.62 -1.23 0.00 0.00 174.94 173.76 1pwm s ASP 43 N 0.43 6.05 0.36 3.58 2.15 0.10 -1.76 116.67 127.58 1pwm s ASP 43 Ca -0.17 0.03 0.05 0.00 0.43 0.00 0.00 52.55 52.89 1pwm s ASP 43 Cb -0.17 -2.12 -0.07 0.00 -0.30 0.00 0.00 42.92 40.26 1pwm s ASP 43 CO 0.07 -0.04 0.04 0.00 -0.17 0.00 0.00 175.17 175.07 1pwm s ALA 45 N -3.08 -1.87 0.26 0.00 0.00 -1.26 -3.77 121.76 112.04 1pwm s ALA 45 Ca 0.36 1.59 -0.05 0.00 0.00 0.00 0.00 51.96 53.86 1pwm s ALA 45 Cb 0.09 -0.64 0.31 0.00 0.00 0.00 0.00 23.12 22.88 1pwm s ALA 45 CO 0.16 -0.32 1.93 1.25 0.00 0.00 0.00 175.76 178.78 1pwm h HIS 46 N 3.24 1.23 0.00 0.00 -0.00 -1.98 -2.29 115.15 115.35 1pwm h HIS 46 Ca -0.24 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.16 1pwm h HIS 46 Cb 1.16 -0.41 0.00 0.00 -0.00 0.00 0.00 27.41 28.15 1pwm h HIS 46 CO 0.34 0.75 0.00 1.55 -0.00 0.00 0.00 177.93 180.56 1pwm n VAL 47 N -4.41 1.02 0.44 5.26 3.14 -1.26 -1.85 118.33 120.68 1pwm n VAL 47 Ca 0.12 0.34 0.13 0.00 -2.96 0.00 0.00 64.34 61.98 1pwm n VAL 47 Cb 0.05 -1.25 0.40 0.00 -1.06 0.00 0.00 33.84 31.98 1pwm n VAL 47 CO 0.00 0.00 0.00 1.88 -6.46 0.00 0.00 176.83 172.25 1pwm h TYR 48 N 0.00 0.00 -1.06 1.45 0.05 -1.81 -3.47 116.97 112.13 1pwm h TYR 48 Ca 0.00 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.51 1pwm h TYR 48 Cb 0.24 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 37.90 1pwm h TYR 48 CO 0.00 0.00 -0.28 1.04 -1.05 0.00 0.00 178.16 177.87 1pwm n GLN 49 N -2.56 -0.98 -0.25 4.88 6.02 -0.77 -4.79 117.38 118.93 1pwm n GLN 49 Ca 0.04 0.87 0.01 0.00 -0.01 0.00 0.00 57.00 57.91 1pwm n GLN 49 Cb 0.40 -5.00 0.02 0.00 1.02 0.00 0.00 30.24 26.68 1pwm n GLN 49 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1pwm n ASN 50 N -0.30 0.45 0.01 1.08 0.23 -1.26 -4.86 115.26 110.61 1pwm n ASN 50 Ca -0.14 -1.81 -0.00 0.00 -0.53 0.00 0.00 54.58 52.09 1pwm n ASN 50 Cb 0.50 -0.15 0.29 0.00 -2.08 0.00 0.00 39.78 38.35 1pwm n ASN 50 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1pwm h GLU 51 N 0.00 0.50 -0.57 -3.83 5.08 -1.89 -1.35 114.58 112.53 1pwm h GLU 51 Ca 0.00 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1pwm h GLU 51 Cb 1.15 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 1pwm h GLU 51 CO 0.00 0.55 0.33 -0.97 -1.00 0.00 0.00 179.01 177.93 1pwm h ASN 52 N 0.47 0.53 0.06 1.42 -1.24 -1.89 0.24 115.58 115.16 1pwm h ASN 52 Ca 0.10 0.01 -0.18 0.00 0.71 0.00 0.00 56.30 56.94 1pwm h ASN 52 Cb 0.37 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.32 1pwm h ASN 52 CO 0.02 0.36 -0.65 -0.33 -1.29 0.00 0.00 177.43 175.54 1pwm h GLU 53 N 0.65 0.57 -0.50 6.67 3.07 -1.73 -1.15 114.58 122.15 1pwm h GLU 53 Ca 0.23 -0.41 0.03 0.00 -0.50 0.00 0.00 59.36 58.71 1pwm h GLU 53 Cb 0.06 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.00 1pwm h GLU 53 CO -0.12 1.03 0.28 0.28 -1.40 0.00 0.00 179.01 179.08 1pwm h VAL 54 N 0.41 1.02 -0.59 3.13 2.07 -1.04 -2.89 116.25 118.36 1pwm h VAL 54 Ca -0.02 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1pwm h VAL 54 Cb 1.22 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1pwm h VAL 54 CO 0.12 0.10 0.31 1.23 0.02 0.00 0.00 177.57 179.36 1pwm h GLY 55 N 0.56 0.88 0.74 2.17 0.00 -0.52 -1.89 103.07 105.00 1pwm h GLY 55 Ca 0.20 -0.39 0.05 0.00 0.00 0.00 0.00 47.33 47.20 1pwm h GLY 55 CO -0.11 0.37 0.42 -2.08 0.00 0.00 0.00 176.54 175.14 1pwm h VAL 56 N 0.83 1.01 -0.19 4.60 2.07 -1.01 -0.23 116.25 123.33 1pwm h VAL 56 Ca 0.21 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1pwm h VAL 56 Cb 0.04 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1pwm h VAL 56 CO -0.03 0.14 0.04 0.00 0.02 0.00 0.00 177.57 177.74 1pwm h ALA 57 N 1.35 0.26 -0.25 1.67 0.00 -1.30 -1.44 119.26 119.54 1pwm h ALA 57 Ca 0.31 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1pwm h ALA 57 Cb 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1pwm h ALA 57 CO -0.16 -0.09 0.12 0.82 0.00 0.00 0.00 179.25 179.94 1pwm h ILE 58 N 0.12 0.98 -0.80 0.00 2.04 -1.06 -1.77 117.51 117.02 1pwm h ILE 58 Ca 0.06 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 1pwm h ILE 58 Cb 0.29 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1pwm h ILE 58 CO 0.00 0.05 0.34 -0.61 0.00 0.00 0.00 178.15 177.93 1pwm h GLN 59 N 0.25 1.18 -0.59 2.37 5.75 -0.99 -0.61 115.11 122.48 1pwm h GLN 59 Ca 0.10 -0.20 -0.03 0.00 -0.15 0.00 0.00 58.65 58.38 1pwm h GLN 59 Cb 0.04 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 1pwm h GLN 59 CO -0.08 0.94 0.27 1.49 -2.65 0.00 0.00 178.83 178.80 1pwm h GLU 60 N 1.16 0.86 -0.18 1.69 4.81 -0.97 0.58 114.58 122.53 1pwm h GLU 60 Ca 0.27 -0.14 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 1pwm h GLU 60 Cb 0.18 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1pwm h GLU 60 CO -0.03 0.71 -0.37 0.87 -0.73 0.00 0.00 179.01 179.46 1pwm h LYS 61 N 0.81 0.39 -0.25 1.92 1.79 -0.93 -0.72 116.57 119.58 1pwm h LYS 61 Ca 0.20 -0.18 -0.05 0.00 -2.18 0.00 0.00 60.65 58.45 1pwm h LYS 61 Cb 0.15 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 1pwm h LYS 61 CO -0.02 0.71 -0.03 -0.07 -1.08 0.00 0.00 179.45 178.96 1pwm h LEU 62 N 0.33 0.46 -1.16 2.94 3.38 -0.90 -1.60 115.31 118.76 1pwm h LEU 62 Ca 0.03 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1pwm h LEU 62 Cb 0.81 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1pwm h LEU 62 CO 0.06 0.69 0.12 -0.09 0.09 0.00 0.00 178.44 179.31 1pwm h ARG 63 N 0.23 0.70 -0.47 1.13 2.43 -0.59 -1.45 114.38 116.35 1pwm h ARG 63 Ca 0.07 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1pwm h ARG 63 Cb 0.47 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1pwm h ARG 63 CO 0.02 0.64 0.00 0.39 -1.51 0.00 0.00 179.97 179.51 1pwm n GLU 64 N -4.30 2.12 -2.80 0.20 1.02 -0.30 -4.90 120.64 111.68 1pwm n GLU 64 Ca 0.03 -1.73 -0.16 0.00 -0.02 0.00 0.00 57.16 55.28 1pwm n GLU 64 Cb 0.21 -1.38 0.03 0.00 -0.02 0.00 0.00 31.44 30.27 1pwm n GLU 64 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1pwm n GLN 65 N 0.91 -3.50 -0.04 3.49 6.02 -0.55 -4.88 117.38 118.83 1pwm n GLN 65 Ca 0.16 0.64 -0.11 0.00 -0.01 0.00 0.00 57.00 57.68 1pwm n GLN 65 Cb 0.41 -4.94 0.03 0.00 1.02 0.00 0.00 30.24 26.76 1pwm n GLN 65 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1pwm h VAL 66 N -1.00 1.30 -3.63 5.09 2.07 -1.56 -3.46 116.25 115.06 1pwm h VAL 66 Ca -0.37 -1.70 -0.17 0.00 0.82 0.00 0.00 66.70 65.27 1pwm h VAL 66 Cb 1.26 1.63 -0.23 0.00 -1.52 0.00 0.00 31.29 32.43 1pwm h VAL 66 CO 0.40 0.54 -0.59 -0.69 0.02 0.00 0.00 177.57 177.25 1pwm s VAL 67 N -4.14 0.06 0.29 2.57 1.01 -1.24 -5.08 120.40 113.87 1pwm s VAL 67 Ca -0.09 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 1pwm s VAL 67 Cb 0.11 -0.28 -0.06 0.00 0.00 0.00 0.00 36.38 36.15 1pwm s VAL 67 CO 0.86 -0.27 0.60 -0.54 0.00 0.00 0.00 175.10 175.74 1pwm s LYS 68 N -0.88 3.72 0.28 2.72 1.02 -1.26 -4.37 119.74 120.97 1pwm s LYS 68 Ca -0.10 0.19 -0.01 0.00 0.02 0.00 0.00 55.97 56.07 1pwm s LYS 68 Cb -0.06 -2.59 0.46 0.00 -0.52 0.00 0.00 37.83 35.12 1pwm s LYS 68 CO 0.00 0.20 1.90 -0.09 -0.92 0.00 0.00 175.35 176.44 1pwm h ARG 69 N 1.88 1.08 0.00 1.68 9.65 -1.95 -0.52 114.38 126.20 1pwm h ARG 69 Ca -0.47 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.34 1pwm h ARG 69 Cb 1.18 -0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 29.52 1pwm h ARG 69 CO 0.67 0.72 -0.03 1.05 2.80 0.00 0.00 179.97 185.18 1pwm h GLU 70 N 1.12 0.00 -0.00 0.20 9.09 -2.03 -1.64 114.58 121.32 1pwm h GLU 70 Ca 0.40 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.81 1pwm h GLU 70 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 1pwm h GLU 70 CO -0.15 0.03 -0.28 0.39 0.05 0.00 0.00 179.01 179.05 1pwm n GLU 71 N -3.48 0.12 -3.87 1.06 -0.58 -0.21 -4.87 120.64 108.81 1pwm n GLU 71 Ca -0.02 -0.05 -0.31 0.00 -0.42 0.00 0.00 57.16 56.35 1pwm n GLU 71 Cb 0.13 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.46 1pwm n GLU 71 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1pwm s LEU 72 N -2.91 4.34 -0.35 -4.62 1.43 -0.62 -4.84 118.68 111.12 1pwm s LEU 72 Ca 0.15 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.59 1pwm s LEU 72 Cb 0.18 -3.02 0.11 0.00 0.03 0.00 0.00 46.19 43.49 1pwm s LEU 72 CO 0.61 0.15 0.12 0.12 0.23 0.00 0.00 176.35 177.58 1pwm s PHE 73 N -1.53 2.15 -0.20 0.29 2.19 0.10 -4.94 117.98 116.04 1pwm s PHE 73 Ca 0.36 -2.13 -0.07 0.00 0.33 0.00 0.00 56.93 55.41 1pwm s PHE 73 Cb -0.13 -1.98 -0.04 0.00 -1.31 0.00 0.00 43.02 39.56 1pwm s PHE 73 CO 0.27 -0.87 0.07 0.42 1.83 0.00 0.00 175.22 176.94 1pwm s ILE 74 N 1.19 4.63 -0.10 3.12 -1.09 -1.26 -2.35 121.20 125.34 1pwm s ILE 74 Ca 0.12 -0.08 0.01 0.00 -2.23 0.00 0.00 60.65 58.46 1pwm s ILE 74 Cb -0.19 -3.11 -0.02 0.00 -1.58 0.00 0.00 42.46 37.55 1pwm s ILE 74 CO -0.16 0.42 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.16 1pwm s VAL 75 N 0.80 3.26 0.20 2.92 1.01 -0.72 -1.29 120.40 126.57 1pwm s VAL 75 Ca 0.04 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1pwm s VAL 75 Cb -0.14 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 1pwm s VAL 75 CO 0.02 0.55 0.14 -0.24 0.00 0.00 0.00 175.10 175.57 1pwm n SER 76 N 2.97 -0.01 -3.88 3.32 2.88 -0.81 -0.78 113.62 117.32 1pwm n SER 76 Ca -0.18 -2.21 -0.11 0.00 -1.33 0.00 0.00 58.87 55.04 1pwm n SER 76 Cb 0.53 0.84 -0.11 0.00 -0.75 0.00 0.00 64.21 64.72 1pwm n SER 76 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1pwm s LYS 77 N -2.78 0.39 -0.27 -1.46 1.02 -1.25 -1.21 119.74 114.19 1pwm s LYS 77 Ca 0.19 -0.31 -0.22 0.00 0.02 0.00 0.00 55.97 55.66 1pwm s LYS 77 Cb 0.01 0.16 -0.01 0.00 -0.52 0.00 0.00 37.83 37.47 1pwm s LYS 77 CO 0.14 -0.09 0.71 -1.17 -0.92 0.00 0.00 175.35 174.02 1pwm s LEU 78 N -1.09 4.08 0.72 3.17 2.96 0.43 -3.94 118.68 125.01 1pwm s LEU 78 Ca -0.12 0.75 -0.11 0.00 -0.22 0.00 0.00 54.13 54.44 1pwm s LEU 78 Cb -0.07 -2.98 0.02 0.00 0.50 0.00 0.00 46.19 43.67 1pwm s LEU 78 CO 0.01 -0.46 1.07 0.86 -1.32 0.00 0.00 176.35 176.50 1pwm s TRP 79 N 2.69 3.08 0.49 5.38 -0.11 -1.26 -1.98 118.94 127.22 1pwm s TRP 79 Ca 0.29 1.32 0.25 0.00 1.22 0.00 0.00 56.10 59.18 1pwm s TRP 79 Cb -0.15 -2.95 1.46 0.00 -1.50 0.00 0.00 33.47 30.34 1pwm s TRP 79 CO 0.09 -1.34 2.12 0.00 -4.62 0.00 0.00 176.95 173.20 1pwm n THR 81 N -3.92 0.06 -1.37 0.00 -2.24 -1.26 -0.55 114.28 105.01 1pwm n THR 81 Ca -0.02 -0.09 0.08 0.00 -2.27 0.00 0.00 64.05 61.75 1pwm n THR 81 Cb 0.18 -0.09 0.15 0.00 -2.10 0.00 0.00 70.33 68.47 1pwm n THR 81 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1pwm n TYR 82 N -0.46 0.00 -0.20 4.78 4.01 -0.57 -4.05 117.16 120.68 1pwm n TYR 82 Ca 0.11 -1.10 -0.09 0.00 -0.16 0.00 0.00 57.90 56.66 1pwm n TYR 82 Cb 0.11 -0.18 0.02 0.00 -0.31 0.00 0.00 39.34 38.98 1pwm n TYR 82 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1pwm h HIS 83 N 0.40 0.95 -0.07 -0.72 3.86 -1.70 -3.35 115.15 114.52 1pwm h HIS 83 Ca -0.01 -0.12 -0.22 0.00 -1.16 0.00 0.00 60.37 58.86 1pwm h HIS 83 Cb 1.06 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.25 1pwm h HIS 83 CO 0.29 0.83 0.33 0.39 0.86 0.00 0.00 177.93 180.62 1pwm n GLU 84 N -4.38 0.00 -0.38 2.45 -0.58 -1.26 -4.36 120.64 112.12 1pwm n GLU 84 Ca 0.02 0.00 0.36 0.00 -0.42 0.00 0.00 57.16 57.12 1pwm n GLU 84 Cb 0.25 -0.42 0.71 0.00 -0.57 0.00 0.00 31.44 31.40 1pwm n GLU 84 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1pwm h LYS 85 N 2.26 0.08 0.00 3.49 5.09 -1.89 -2.02 116.57 123.58 1pwm h LYS 85 Ca -0.05 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.68 1pwm h LYS 85 Cb 0.40 -0.02 0.00 0.00 0.10 0.00 0.00 32.23 32.71 1pwm h LYS 85 CO 0.30 0.05 -0.82 0.41 -2.09 0.00 0.00 179.45 177.30 1pwm n GLY 86 N -1.72 -1.26 0.04 0.07 0.00 -1.26 -3.60 105.19 97.47 1pwm n GLY 86 Ca 0.29 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 46.06 1pwm n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pwm n LEU 87 N -1.89 0.52 -0.07 0.99 4.77 -0.80 -4.62 117.00 115.91 1pwm n LEU 87 Ca 0.03 0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 1pwm n LEU 87 Cb 0.41 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 1pwm n LEU 87 CO 0.38 -0.00 0.92 0.58 -1.33 0.00 0.00 177.39 177.94 1pwm h VAL 88 N 0.00 1.12 -0.53 4.08 2.07 -1.51 -1.44 116.25 120.04 1pwm h VAL 88 Ca 0.00 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 1pwm h VAL 88 Cb 0.84 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1pwm h VAL 88 CO 0.00 0.12 0.11 0.50 0.02 0.00 0.00 177.57 178.32 1pwm h LYS 89 N 0.28 0.85 -0.50 1.57 3.64 -1.82 -1.15 116.57 119.45 1pwm h LYS 89 Ca 0.09 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 1pwm h LYS 89 Cb 0.08 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1pwm h LYS 89 CO -0.01 0.82 0.12 0.78 -2.27 0.00 0.00 179.45 178.88 1pwm h GLY 90 N 0.74 0.82 0.96 5.01 0.00 -1.78 0.60 103.07 109.42 1pwm h GLY 90 Ca 0.16 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1pwm h GLY 90 CO 0.00 0.44 0.19 0.00 0.00 0.00 0.00 176.54 177.17 1pwm h ALA 91 N 1.39 0.56 -0.33 3.60 0.00 -0.92 -0.56 119.26 123.00 1pwm h ALA 91 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1pwm h ALA 91 Cb 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1pwm h ALA 91 CO -0.00 0.15 0.17 0.00 0.00 0.00 0.00 179.25 179.57 1pwm h GLN 93 N 0.41 0.45 -0.46 0.00 5.75 -0.70 0.38 115.11 120.94 1pwm h GLN 93 Ca 0.12 -0.12 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1pwm h GLN 93 Cb 0.08 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 1pwm h GLN 93 CO -0.02 0.56 0.14 -0.22 -2.65 0.00 0.00 178.83 176.65 1pwm h LYS 94 N 0.43 0.71 -0.49 1.69 1.63 -0.95 0.02 116.57 119.61 1pwm h LYS 94 Ca 0.08 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1pwm h LYS 94 Cb 0.44 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 1pwm h LYS 94 CO 0.02 0.68 0.30 1.15 -3.45 0.00 0.00 179.45 178.15 1pwm h THR 95 N 0.60 1.15 -0.61 1.00 2.02 -0.93 -0.21 112.91 115.94 1pwm h THR 95 Ca 0.15 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 67.01 1pwm h THR 95 Cb 0.27 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1pwm h THR 95 CO -0.00 0.15 0.38 -0.07 0.37 0.00 0.00 175.52 176.35 1pwm h LEU 96 N 0.66 0.63 -0.43 2.58 3.38 -0.70 0.37 115.31 121.78 1pwm h LEU 96 Ca 0.18 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1pwm h LEU 96 Cb -0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1pwm h LEU 96 CO -0.03 0.44 0.18 0.28 0.09 0.00 0.00 178.44 179.39 1pwm h SER 97 N 0.75 0.59 -0.54 -0.43 0.02 -0.69 0.13 113.55 113.38 1pwm h SER 97 Ca 0.24 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1pwm h SER 97 Cb -0.00 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1pwm h SER 97 CO -0.09 0.59 0.17 0.44 -1.14 0.00 0.00 176.83 176.80 1pwm h ASP 98 N 0.56 0.78 0.94 3.07 3.32 -0.77 -2.46 116.42 121.86 1pwm h ASP 98 Ca 0.14 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1pwm h ASP 98 Cb 0.18 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1pwm h ASP 98 CO -0.01 0.78 0.00 0.18 -1.72 0.00 0.00 179.24 178.47 1pwm n LEU 99 N -4.46 0.14 -3.72 1.55 4.77 0.09 -4.01 117.00 111.36 1pwm n LEU 99 Ca 0.02 0.52 -0.24 0.00 -0.03 0.00 0.00 56.01 56.28 1pwm n LEU 99 Cb 0.20 -0.48 0.04 0.00 -2.33 0.00 0.00 43.42 40.85 1pwm n LEU 99 CO 0.39 -0.11 0.05 0.29 -1.33 0.00 0.00 177.39 176.69 1pwm n LYS 100 N -1.64 -5.75 -4.17 3.23 5.02 0.33 -4.44 118.16 110.75 1pwm n LYS 100 Ca 0.06 0.67 -0.25 0.00 -2.02 0.00 0.00 58.31 56.77 1pwm n LYS 100 Cb 0.31 -5.46 -0.06 0.00 -0.02 0.00 0.00 35.03 29.80 1pwm n LYS 100 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pwm s LEU 101 N -6.92 3.53 0.07 -0.35 1.43 -0.52 -4.95 118.68 110.98 1pwm s LEU 101 Ca 0.30 -0.33 0.22 0.00 -1.03 0.00 0.00 54.13 53.29 1pwm s LEU 101 Cb -0.14 -2.13 -0.18 0.00 0.03 0.00 0.00 46.19 43.76 1pwm s LEU 101 CO 0.80 0.05 0.74 0.47 0.23 0.00 0.00 176.35 178.63 1pwm n ASP 102 N -0.51 0.39 -3.61 2.29 8.00 -1.26 -4.50 116.55 117.35 1pwm n ASP 102 Ca -0.08 0.12 -0.12 0.00 0.71 0.00 0.00 54.79 55.42 1pwm n ASP 102 Cb 0.56 1.30 -0.05 0.00 -0.02 0.00 0.00 41.12 42.91 1pwm n ASP 102 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1pwm s TYR 103 N -3.44 -0.30 -0.01 1.24 -0.85 -1.26 -4.74 117.35 107.99 1pwm s TYR 103 Ca -0.04 0.15 -0.03 0.00 -0.52 0.00 0.00 57.07 56.63 1pwm s TYR 103 Cb 0.12 0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.71 1pwm s TYR 103 CO 0.86 -0.66 0.18 -0.51 -1.52 0.00 0.00 175.55 173.90 1pwm s LEU 104 N -2.38 4.37 0.26 -3.49 1.43 -0.47 -4.98 118.68 113.41 1pwm s LEU 104 Ca -0.01 0.35 0.07 0.00 -1.03 0.00 0.00 54.13 53.51 1pwm s LEU 104 Cb 0.00 -2.61 0.31 0.00 0.03 0.00 0.00 46.19 43.92 1pwm s LEU 104 CO -0.07 0.26 1.59 0.44 0.23 0.00 0.00 176.35 178.81 1pwm h ASP 105 N 3.82 0.15 -3.47 2.29 3.32 -1.53 0.38 116.42 121.38 1pwm h ASP 105 Ca -0.49 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 56.38 1pwm h ASP 105 Cb 1.19 -0.04 -0.25 0.00 0.22 0.00 0.00 39.33 40.45 1pwm h ASP 105 CO 0.69 0.71 -0.21 -0.22 -1.72 0.00 0.00 179.24 178.50 1pwm s LEU 106 N -7.81 -0.07 -0.09 1.55 2.96 -1.10 -2.15 118.68 111.96 1pwm s LEU 106 Ca -0.03 0.98 0.03 0.00 -0.22 0.00 0.00 54.13 54.89 1pwm s LEU 106 Cb 0.12 1.57 0.01 0.00 0.50 0.00 0.00 46.19 48.39 1pwm s LEU 106 CO 0.78 -0.19 -0.17 -0.47 -1.32 0.00 0.00 176.35 174.98 1pwm s TYR 107 N 0.96 2.02 0.01 5.38 5.04 -0.43 -1.92 117.35 128.41 1pwm s TYR 107 Ca -0.06 -0.86 0.06 0.00 -2.44 0.00 0.00 57.07 53.77 1pwm s TYR 107 Cb -0.06 -1.42 -0.03 0.00 0.35 0.00 0.00 41.96 40.80 1pwm s TYR 107 CO -0.08 -0.40 -0.16 -0.51 -1.34 0.00 0.00 175.55 173.06 1pwm s LEU 108 N 0.68 2.69 -0.19 6.97 1.43 -0.35 -0.45 118.68 129.46 1pwm s LEU 108 Ca -0.13 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 52.35 1pwm s LEU 108 Cb -0.16 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 1pwm s LEU 108 CO 0.03 0.29 1.50 -0.63 0.23 0.00 0.00 176.35 177.77 1pwm s ILE 109 N -0.87 3.87 0.20 -0.59 1.01 -0.35 -0.43 121.20 124.04 1pwm s ILE 109 Ca 0.14 1.01 -0.08 0.00 0.00 0.00 0.00 60.65 61.71 1pwm s ILE 109 Cb -0.11 -3.79 0.11 0.00 0.01 0.00 0.00 42.46 38.68 1pwm s ILE 109 CO 0.04 -0.24 1.70 -0.74 0.00 0.00 0.00 174.94 175.70 1pwm h HIS 110 N 9.73 1.20 -3.88 3.97 2.76 -1.68 -1.04 115.15 126.22 1pwm h HIS 110 Ca -0.32 -0.16 -0.12 0.00 -2.20 0.00 0.00 60.37 57.58 1pwm h HIS 110 Cb 1.14 -0.33 -0.16 0.00 1.55 0.00 0.00 27.41 29.60 1pwm h HIS 110 CO 0.88 0.99 -0.51 -1.58 -1.30 0.00 0.00 177.93 176.40 1pwm s TRP 111 N -5.24 0.24 -0.98 5.26 0.52 -1.25 -4.30 118.94 113.19 1pwm s TRP 111 Ca -0.12 -0.62 0.20 0.00 0.02 0.00 0.00 56.10 55.58 1pwm s TRP 111 Cb 0.15 -0.17 0.86 0.00 -1.15 0.00 0.00 33.47 33.16 1pwm s TRP 111 CO 0.85 -0.41 1.65 -0.35 0.02 0.00 0.00 176.95 178.71 1pwm n PRO 112 N 0.46 0.01 -3.05 4.98 -0.04 -1.26 -4.72 135.00 131.38 1pwm n PRO 112 Ca -0.17 0.16 -0.41 0.00 -0.04 0.00 0.00 63.50 63.04 1pwm n PRO 112 Cb 0.60 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 1pwm n PRO 112 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1pwm s THR 113 N -3.01 4.92 0.09 0.52 -4.23 -1.26 -4.79 115.64 107.88 1pwm s THR 113 Ca 0.10 1.13 -0.20 0.00 -1.18 0.00 0.00 61.69 61.54 1pwm s THR 113 Cb 0.13 -4.01 -0.07 0.00 1.34 0.00 0.00 72.50 69.89 1pwm s THR 113 CO 0.37 -0.07 0.59 -0.83 -0.54 0.00 0.00 174.62 174.14 1pwm s GLY 114 N 1.52 2.69 0.26 3.99 0.00 -1.26 -4.61 107.32 109.90 1pwm s GLY 114 Ca 0.28 0.06 0.11 0.00 0.00 0.00 0.00 44.72 45.17 1pwm s GLY 114 CO 0.10 0.49 -0.11 -1.36 0.00 0.00 0.00 173.10 172.21 1pwm s PHE 115 N -1.13 2.49 0.07 1.90 0.08 0.29 -1.41 117.98 120.27 1pwm s PHE 115 Ca 0.30 -0.28 -0.35 0.00 0.12 0.00 0.00 56.93 56.73 1pwm s PHE 115 Cb -0.20 -1.12 -0.14 0.00 -0.57 0.00 0.00 43.02 41.00 1pwm s PHE 115 CO 0.20 0.64 1.60 1.17 -0.10 0.00 0.00 175.22 178.73 1pwm n LYS 116 N -0.60 1.89 -1.87 0.44 4.81 -0.17 -4.19 118.16 118.47 1pwm n LYS 116 Ca -0.07 0.69 -0.37 0.00 -0.87 0.00 0.00 58.31 57.69 1pwm n LYS 116 Cb 0.59 -2.44 0.05 0.00 0.02 0.00 0.00 35.03 33.25 1pwm n LYS 116 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1pwm s PRO 117 N 1.65 2.81 0.00 1.64 0.02 -1.26 -4.78 135.00 135.08 1pwm s PRO 117 Ca 0.84 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.84 1pwm s PRO 117 Cb -0.76 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 31.83 1pwm s PRO 117 CO 0.44 -1.37 0.00 0.41 -0.33 0.00 0.00 177.00 176.15 1pwm n GLY 118 N 0.71 -0.96 0.16 0.52 0.00 -1.26 -4.97 105.19 99.39 1pwm n GLY 118 Ca 0.14 -1.44 -0.02 0.00 0.00 0.00 0.00 46.02 44.70 1pwm n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pwm h LYS 119 N 2.15 0.11 -6.27 1.61 1.57 -1.99 -3.44 116.57 110.31 1pwm h LYS 119 Ca 0.00 -0.07 -0.55 0.00 -1.87 0.00 0.00 60.65 58.16 1pwm h LYS 119 Cb 0.00 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1pwm h LYS 119 CO 0.00 0.63 0.42 -1.21 -0.57 0.00 0.00 179.45 178.72 1pwm s GLU 120 N -3.82 4.47 0.42 3.15 2.02 -1.26 -4.95 118.70 118.73 1pwm s GLU 120 Ca -0.03 1.31 0.20 0.00 0.02 0.00 0.00 54.97 56.47 1pwm s GLU 120 Cb 0.13 -3.50 0.93 0.00 0.10 0.00 0.00 34.13 31.79 1pwm s GLU 120 CO 0.77 -0.17 1.87 0.74 0.02 0.00 0.00 175.26 178.49 1pwm h PHE 121 N 6.96 0.00 -2.93 1.61 0.04 -1.96 -3.34 116.94 117.32 1pwm h PHE 121 Ca -0.36 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 59.80 1pwm h PHE 121 Cb 1.18 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 38.93 1pwm h PHE 121 CO 0.69 0.29 -0.73 -0.06 -0.60 0.00 0.00 178.31 177.91 1pwm s PHE 122 N -3.97 2.38 -0.04 -0.55 0.40 -1.26 -4.72 117.98 110.22 1pwm s PHE 122 Ca -0.02 -2.74 -0.30 0.00 -0.60 0.00 0.00 56.93 53.28 1pwm s PHE 122 Cb 0.13 -2.02 -0.04 0.00 0.51 0.00 0.00 43.02 41.60 1pwm s PHE 122 CO 0.67 -0.72 1.30 -1.25 0.70 0.00 0.00 175.22 175.92 1pwm s PRO 123 N -0.29 4.31 -0.02 0.24 0.04 -1.26 -4.96 135.00 133.07 1pwm s PRO 123 Ca 0.23 1.81 0.03 0.00 0.04 0.00 0.00 61.00 63.11 1pwm s PRO 123 Cb -0.13 -3.59 -0.03 0.00 0.04 0.00 0.00 34.50 30.79 1pwm s PRO 123 CO -0.09 -0.53 -0.10 -0.51 0.04 0.00 0.00 177.00 175.81 1pwm s LEU 124 N 2.45 3.00 1.05 -3.56 1.43 -1.26 0.27 118.68 122.06 1pwm s LEU 124 Ca 0.60 -0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.38 1pwm s LEU 124 Cb -0.28 -1.69 0.22 0.00 0.03 0.00 0.00 46.19 44.48 1pwm s LEU 124 CO 0.23 0.31 1.14 1.51 0.23 0.00 0.00 176.35 179.77 1pwm s ASP 125 N -1.11 2.21 0.57 2.29 1.47 -0.29 -4.86 116.67 116.95 1pwm s ASP 125 Ca 0.14 0.81 0.34 0.00 1.18 0.00 0.00 52.55 55.02 1pwm s ASP 125 Cb -0.11 -1.22 1.71 0.00 -0.34 0.00 0.00 42.92 42.96 1pwm s ASP 125 CO 0.04 -3.34 2.14 -0.33 0.68 0.00 0.00 175.17 174.35 1pwm h GLU 126 N -2.05 0.00 -0.02 2.11 5.08 -2.01 -1.15 114.58 116.54 1pwm h GLU 126 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1pwm h GLU 126 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1pwm h GLU 126 CO 0.48 0.05 -0.24 0.43 -1.00 0.00 0.00 179.01 178.73 1pwm n SER 127 N -3.33 2.32 0.00 1.42 7.64 -1.26 -5.03 113.62 115.38 1pwm n SER 127 Ca -0.01 -1.66 0.00 0.00 1.01 0.00 0.00 58.87 58.20 1pwm n SER 127 Cb 0.21 0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1pwm n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pwm n GLY 128 N 1.29 3.28 3.75 0.23 0.00 -0.43 -5.09 105.19 108.22 1pwm n GLY 128 Ca 0.10 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 1pwm n GLY 128 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pwm s ASN 129 N -0.10 7.13 0.51 1.61 3.04 -1.26 -4.70 114.94 121.16 1pwm s ASN 129 Ca 0.00 2.30 -0.23 0.00 0.04 0.00 0.00 52.86 54.98 1pwm s ASN 129 Cb 0.00 -2.62 -0.06 0.00 -1.54 0.00 0.00 41.25 37.03 1pwm s ASN 129 CO 0.00 -0.29 1.34 -0.69 -3.04 0.00 0.00 177.10 174.43 1pwm s VAL 130 N -0.68 2.24 -0.34 -5.21 1.01 -1.20 -1.14 120.40 115.08 1pwm s VAL 130 Ca 0.49 0.19 -0.20 0.00 0.00 0.00 0.00 61.98 62.46 1pwm s VAL 130 Cb -0.33 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 32.94 1pwm s VAL 130 CO 0.41 0.01 0.62 -0.69 0.00 0.00 0.00 175.10 175.44 1pwm s VAL 131 N -1.31 4.92 0.77 2.92 1.01 0.14 -4.81 120.40 124.04 1pwm s VAL 131 Ca 0.68 0.66 -0.11 0.00 0.00 0.00 0.00 61.98 63.20 1pwm s VAL 131 Cb -0.39 -4.03 0.05 0.00 0.00 0.00 0.00 36.38 32.01 1pwm s VAL 131 CO 0.48 -0.24 1.09 -2.84 0.00 0.00 0.00 175.10 173.59 1pwm s PRO 132 N 2.64 2.32 0.31 2.72 0.02 -1.26 -1.00 135.00 140.74 1pwm s PRO 132 Ca 0.24 0.67 0.06 0.00 0.02 0.00 0.00 61.00 61.99 1pwm s PRO 132 Cb -0.15 -1.94 -0.02 0.00 0.02 0.00 0.00 34.50 32.41 1pwm s PRO 132 CO 0.14 -1.47 0.45 -1.54 -0.33 0.00 0.00 177.00 174.25 1pwm s SER 133 N -3.94 6.09 -0.21 2.53 1.04 -0.50 -3.73 113.70 114.98 1pwm s SER 133 Ca 0.60 -0.06 0.15 0.00 0.48 0.00 0.00 55.95 57.12 1pwm s SER 133 Cb -0.14 -1.48 0.80 0.00 0.10 0.00 0.00 66.02 65.30 1pwm s SER 133 CO 0.54 -0.33 1.72 -0.67 0.98 0.00 0.00 173.24 175.48 1pwm n ASP 134 N -1.60 5.49 -4.78 7.02 -0.08 -1.26 -4.76 116.55 116.59 1pwm n ASP 134 Ca -0.03 -2.82 -0.37 0.00 -1.51 0.00 0.00 54.79 50.05 1pwm n ASP 134 Cb 0.58 -0.66 -0.06 0.00 2.34 0.00 0.00 41.12 43.32 1pwm n ASP 134 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1pwm s THR 135 N -2.55 4.10 0.43 5.18 -1.32 -1.26 -5.04 115.64 115.18 1pwm s THR 135 Ca 0.54 1.80 0.07 0.00 -1.21 0.00 0.00 61.69 62.88 1pwm s THR 135 Cb 0.40 -4.02 -0.04 0.00 -1.51 0.00 0.00 72.50 67.33 1pwm s THR 135 CO 0.18 0.19 0.21 0.54 -2.21 0.00 0.00 174.62 173.53 1pwm s ASN 136 N -1.51 4.47 0.33 8.08 2.20 -1.26 -4.79 114.94 122.45 1pwm s ASN 136 Ca 0.49 -1.10 0.08 0.00 -0.94 0.00 0.00 52.86 51.40 1pwm s ASN 136 Cb -0.21 -0.34 0.57 0.00 -2.00 0.00 0.00 41.25 39.27 1pwm s ASN 136 CO 0.26 -0.62 1.77 -0.29 -2.94 0.00 0.00 177.10 175.27 1pwm h ILE 137 N 1.32 1.28 -0.30 0.54 2.10 -1.96 -2.75 117.51 117.73 1pwm h ILE 137 Ca -0.42 -1.33 -0.15 0.00 1.08 0.00 0.00 64.86 64.04 1pwm h ILE 137 Cb 1.26 1.59 -0.01 0.00 -1.09 0.00 0.00 36.82 38.57 1pwm h ILE 137 CO 0.68 0.40 -0.41 -0.07 -1.08 0.00 0.00 178.15 177.67 1pwm h LEU 138 N 0.17 0.79 -0.42 2.19 3.38 -1.96 0.44 115.31 119.90 1pwm h LEU 138 Ca 0.02 -0.36 -0.16 0.00 0.09 0.00 0.00 57.88 57.46 1pwm h LEU 138 Cb 0.70 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1pwm h LEU 138 CO 0.05 1.10 -0.43 0.44 0.09 0.00 0.00 178.44 179.69 1pwm h ASP 139 N 0.61 0.92 -0.85 -0.43 3.32 -1.94 -1.72 116.42 116.33 1pwm h ASP 139 Ca 0.05 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 1pwm h ASP 139 Cb 0.96 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.21 1pwm h ASP 139 CO 0.09 1.22 0.48 0.74 -1.72 0.00 0.00 179.24 180.05 1pwm h THR 140 N 0.69 1.25 -0.40 0.35 2.02 -0.89 -1.90 112.91 114.03 1pwm h THR 140 Ca 0.05 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1pwm h THR 140 Cb 1.02 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1pwm h THR 140 CO 0.10 0.27 0.26 -0.25 0.37 0.00 0.00 175.52 176.28 1pwm h TRP 141 N 1.19 0.51 -0.93 3.16 2.91 0.04 -1.34 115.95 121.50 1pwm h TRP 141 Ca 0.30 0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.41 1pwm h TRP 141 Cb 0.01 -0.17 -0.06 0.00 -0.51 0.00 0.00 29.16 28.42 1pwm h TRP 141 CO 0.01 0.33 0.60 0.00 -1.03 0.00 0.00 178.44 178.35 1pwm h ALA 142 N 1.14 1.53 -0.38 2.65 0.00 -0.94 -0.12 119.26 123.13 1pwm h ALA 142 Ca 0.15 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1pwm h ALA 142 Cb -0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1pwm h ALA 142 CO -0.03 0.31 -0.07 0.00 0.00 0.00 0.00 179.25 179.46 1pwm h ALA 143 N 1.52 1.15 -0.36 0.00 0.00 -0.55 -2.09 119.26 118.93 1pwm h ALA 143 Ca 0.41 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1pwm h ALA 143 Cb 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1pwm h ALA 143 CO -0.17 0.54 -0.25 0.52 0.00 0.00 0.00 179.25 179.89 1pwm h MET 144 N 0.60 0.73 -0.76 0.00 2.86 -0.31 -2.79 114.93 115.26 1pwm h MET 144 Ca 0.11 -0.30 0.02 0.00 -2.06 0.00 0.00 59.70 57.47 1pwm h MET 144 Cb 0.49 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 1pwm h MET 144 CO 0.03 0.91 0.50 0.93 1.06 0.00 0.00 176.91 180.33 1pwm h GLU 145 N 0.63 0.94 -0.34 1.72 5.08 -0.68 -1.61 114.58 120.32 1pwm h GLU 145 Ca 0.08 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1pwm h GLU 145 Cb 0.76 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1pwm h GLU 145 CO 0.06 0.62 0.14 0.93 -1.00 0.00 0.00 179.01 179.77 1pwm h GLU 146 N 0.97 0.47 -0.59 2.33 5.08 -1.12 -2.21 114.58 119.51 1pwm h GLU 146 Ca 0.29 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1pwm h GLU 146 Cb -0.03 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1pwm h GLU 146 CO -0.07 0.39 0.21 -0.07 -1.00 0.00 0.00 179.01 178.47 1pwm h LEU 147 N 0.48 0.80 -0.28 1.33 3.38 -1.20 -0.61 115.31 119.20 1pwm h LEU 147 Ca 0.12 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1pwm h LEU 147 Cb 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1pwm h LEU 147 CO -0.01 0.74 0.15 0.58 0.09 0.00 0.00 178.44 179.98 1pwm h VAL 148 N 0.85 1.14 0.00 1.22 2.07 -1.31 -1.96 116.25 118.26 1pwm h VAL 148 Ca 0.20 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1pwm h VAL 148 Cb 0.21 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1pwm h VAL 148 CO -0.01 0.14 0.00 0.47 0.02 0.00 0.00 177.57 178.18 1pwm n ASP 149 N -4.81 0.16 -0.57 0.57 8.00 -0.79 -1.89 116.55 117.22 1pwm n ASP 149 Ca -0.02 0.54 0.11 0.00 0.71 0.00 0.00 54.79 56.13 1pwm n ASP 149 Cb 0.09 -0.57 0.02 0.00 -0.02 0.00 0.00 41.12 40.63 1pwm n ASP 149 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pwm n GLU 150 N -1.68 1.39 -0.86 -1.24 1.02 -0.30 -4.99 120.64 113.99 1pwm n GLU 150 Ca 0.04 -1.15 0.00 0.00 -0.02 0.00 0.00 57.16 56.02 1pwm n GLU 150 Cb 0.20 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1pwm n GLU 150 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pwm n GLY 151 N 1.41 0.66 0.12 0.62 0.00 -0.79 -4.92 105.19 102.28 1pwm n GLY 151 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.12 1pwm n GLY 151 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pwm h LEU 152 N 0.00 0.00 -7.85 0.99 3.38 -1.60 -3.44 115.31 106.78 1pwm h LEU 152 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1pwm h LEU 152 Cb 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.51 1pwm h LEU 152 CO 0.00 0.63 -0.70 0.68 0.09 0.00 0.00 178.44 179.14 1pwm s VAL 153 N -2.89 0.06 -0.10 1.22 -7.23 -1.21 -1.37 120.40 108.87 1pwm s VAL 153 Ca 0.03 -0.47 0.15 0.00 -1.81 0.00 0.00 61.98 59.89 1pwm s VAL 153 Cb 0.08 -0.15 -0.12 0.00 0.56 0.00 0.00 36.38 36.76 1pwm s VAL 153 CO 0.77 -0.26 0.95 0.11 -0.31 0.00 0.00 175.10 176.37 1pwm h LYS 154 N 5.37 0.00 -3.47 4.82 1.57 -1.04 -3.37 116.57 120.45 1pwm h LYS 154 Ca -0.28 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.38 1pwm h LYS 154 Cb 1.21 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.33 1pwm h LYS 154 CO 0.46 0.41 -0.40 0.00 -0.57 0.00 0.00 179.45 179.35 1pwm s ALA 155 N -2.87 -0.42 0.12 3.86 0.00 -0.91 -5.00 121.76 116.54 1pwm s ALA 155 Ca -0.02 -0.15 0.08 0.00 0.00 0.00 0.00 51.96 51.87 1pwm s ALA 155 Cb 0.08 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 1pwm s ALA 155 CO 0.80 -0.31 -0.18 0.96 0.00 0.00 0.00 175.76 177.03 1pwm s ILE 156 N -2.07 1.62 0.00 0.00 -4.36 -1.26 -1.31 121.20 113.82 1pwm s ILE 156 Ca -0.09 -1.65 0.00 0.00 -0.26 0.00 0.00 60.65 58.65 1pwm s ILE 156 Cb -0.03 -1.58 0.00 0.00 1.25 0.00 0.00 42.46 42.09 1pwm s ILE 156 CO -0.01 -0.20 0.00 0.61 0.24 0.00 0.00 174.94 175.57 1pwm n GLY 157 N 0.80 2.41 3.24 6.27 0.00 0.40 -0.73 105.19 117.57 1pwm n GLY 157 Ca -0.17 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 1pwm n GLY 157 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pwm s ILE 158 N -2.98 0.57 -0.14 -0.61 -4.36 -0.26 -1.21 121.20 112.22 1pwm s ILE 158 Ca 0.00 -1.98 -0.12 0.00 -0.26 0.00 0.00 60.65 58.29 1pwm s ILE 158 Cb 0.00 -2.21 0.04 0.00 1.25 0.00 0.00 42.46 41.54 1pwm s ILE 158 CO 0.00 -0.38 0.36 -0.55 0.24 0.00 0.00 174.94 174.61 1pwm s SER 159 N -3.18 -0.38 -1.63 4.36 0.15 -0.39 -1.27 113.70 111.35 1pwm s SER 159 Ca 0.27 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.65 1pwm s SER 159 Cb 0.07 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 1pwm s SER 159 CO 0.06 -0.13 0.00 0.59 1.20 0.00 0.00 173.24 174.95 1pwm n ASN 160 N 3.02 -5.27 -4.75 5.45 3.02 -0.38 -3.81 115.26 112.56 1pwm n ASN 160 Ca -0.14 0.08 -0.38 0.00 -0.03 0.00 0.00 54.58 54.11 1pwm n ASN 160 Cb 0.57 -4.34 -0.06 0.00 -0.61 0.00 0.00 39.78 35.34 1pwm n ASN 160 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1pwm s PHE 161 N -2.86 3.57 0.97 3.10 2.99 -1.26 -4.49 117.98 120.00 1pwm s PHE 161 Ca 0.00 0.93 -0.16 0.00 0.00 0.00 0.00 56.93 57.70 1pwm s PHE 161 Cb 0.00 -2.50 0.20 0.00 0.00 0.00 0.00 43.02 40.72 1pwm s PHE 161 CO 0.00 0.29 1.30 0.54 -0.00 0.00 0.00 175.22 177.34 1pwm s ASN 162 N 0.18 3.05 0.11 1.36 2.20 -1.26 -4.76 114.94 115.81 1pwm s ASN 162 Ca 0.26 0.34 -0.28 0.00 -0.94 0.00 0.00 52.86 52.23 1pwm s ASN 162 Cb -0.16 -0.43 -0.09 0.00 -2.00 0.00 0.00 41.25 38.57 1pwm s ASN 162 CO 0.11 -2.78 1.63 -0.74 -2.94 0.00 0.00 177.10 172.38 1pwm h HIS 163 N -1.67 -0.81 0.00 1.54 -0.00 -1.25 -0.04 115.15 112.92 1pwm h HIS 163 Ca -0.45 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 59.88 1pwm h HIS 163 Cb 1.25 0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 28.99 1pwm h HIS 163 CO -1.11 -0.41 -0.27 -0.07 -0.00 0.00 0.00 177.93 176.07 1pwm h LEU 164 N -0.54 0.00 -0.26 0.26 3.38 -1.94 -1.44 115.31 114.77 1pwm h LEU 164 Ca 0.02 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.79 1pwm h LEU 164 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1pwm h LEU 164 CO -0.16 0.27 -0.64 1.56 0.09 0.00 0.00 178.44 179.57 1pwm h GLN 165 N 0.00 0.82 -0.29 1.13 4.20 -1.69 -0.95 115.11 118.34 1pwm h GLN 165 Ca -0.00 -0.58 0.01 0.00 0.06 0.00 0.00 58.65 58.14 1pwm h GLN 165 Cb 0.54 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 1pwm h GLN 165 CO 0.04 1.20 0.16 0.28 -0.67 0.00 0.00 178.83 179.84 1pwm h VAL 166 N 0.60 1.01 -0.87 -0.54 2.07 -0.80 -2.57 116.25 115.17 1pwm h VAL 166 Ca -0.01 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.47 1pwm h VAL 166 Cb 1.25 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 1pwm h VAL 166 CO 0.14 0.06 0.53 -0.08 0.02 0.00 0.00 177.57 178.24 1pwm h GLU 167 N 0.33 0.90 -0.58 1.57 4.81 -1.20 -0.46 114.58 119.95 1pwm h GLU 167 Ca 0.12 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1pwm h GLU 167 Cb 0.02 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 1pwm h GLU 167 CO -0.07 0.60 0.37 0.52 -0.73 0.00 0.00 179.01 179.71 1pwm h MET 168 N 0.93 0.74 -0.23 1.92 2.86 -0.87 0.18 114.93 120.46 1pwm h MET 168 Ca 0.40 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.99 1pwm h MET 168 Cb 0.26 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1pwm h MET 168 CO -0.20 0.49 0.13 0.82 1.06 0.00 0.00 176.91 179.20 1pwm h ILE 169 N 0.76 1.11 0.00 -1.22 2.04 -0.97 -1.70 117.51 117.54 1pwm h ILE 169 Ca 0.22 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1pwm h ILE 169 Cb -0.05 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1pwm h ILE 169 CO -0.06 0.11 -0.02 -0.07 0.00 0.00 0.00 178.15 178.11 1pwm h LEU 170 N 0.27 0.00 -1.84 1.44 3.38 -0.63 -1.25 115.31 116.67 1pwm h LEU 170 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1pwm h LEU 170 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1pwm h LEU 170 CO -0.01 0.02 0.00 0.59 0.09 0.00 0.00 178.44 179.12 1pwm n ASN 171 N -4.52 2.70 -4.71 -0.43 5.03 0.01 -4.97 115.26 108.37 1pwm n ASN 171 Ca -0.03 -1.95 -0.42 0.00 0.87 0.00 0.00 54.58 53.05 1pwm n ASN 171 Cb 0.10 -0.29 -0.03 0.00 -1.02 0.00 0.00 39.78 38.54 1pwm n ASN 171 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1pwm s LYS 172 N -1.42 4.13 0.19 3.52 2.20 -0.47 -4.90 119.74 122.99 1pwm s LYS 172 Ca 0.35 2.59 -0.33 0.00 -0.36 0.00 0.00 55.97 58.22 1pwm s LYS 172 Cb 0.19 -3.22 -0.13 0.00 -1.51 0.00 0.00 37.83 33.16 1pwm s LYS 172 CO 0.26 -0.77 1.68 -2.30 -0.36 0.00 0.00 175.35 173.86 1pwm n PRO 173 N 4.46 2.58 -1.08 4.03 -0.02 -1.26 -1.90 135.00 141.81 1pwm n PRO 173 Ca 0.16 0.93 -0.03 0.00 -2.02 0.00 0.00 63.50 62.55 1pwm n PRO 173 Cb 0.36 -2.75 -0.01 0.00 -0.02 0.00 0.00 33.50 31.08 1pwm n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pwm n GLY 174 N 3.81 0.59 3.61 -1.23 0.00 -1.26 -4.95 105.19 105.75 1pwm n GLY 174 Ca 0.16 -0.47 -0.54 0.00 0.00 0.00 0.00 46.02 45.18 1pwm n GLY 174 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1pwm n LEU 175 N -0.30 1.74 -0.13 0.99 7.94 -0.80 -4.90 117.00 121.54 1pwm n LEU 175 Ca -0.03 1.11 -0.24 0.00 -1.11 0.00 0.00 56.01 55.74 1pwm n LEU 175 Cb 0.14 -1.17 -0.11 0.00 0.53 0.00 0.00 43.42 42.81 1pwm n LEU 175 CO 0.04 -0.95 -1.40 1.17 -1.11 0.00 0.00 177.39 175.14 1pwm n LYS 176 N 3.09 0.61 -4.46 1.96 4.81 -1.26 -4.95 118.16 117.96 1pwm n LYS 176 Ca 0.20 0.21 -0.25 0.00 -0.87 0.00 0.00 58.31 57.60 1pwm n LYS 176 Cb 0.17 -1.50 -0.17 0.00 0.02 0.00 0.00 35.03 33.56 1pwm n LYS 176 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1pwm s TYR 177 N -2.51 1.49 0.61 5.64 2.02 -1.26 -5.13 117.35 118.21 1pwm s TYR 177 Ca -0.37 -0.59 -0.17 0.00 -0.37 0.00 0.00 57.07 55.57 1pwm s TYR 177 Cb 0.12 -1.12 -0.02 0.00 -0.40 0.00 0.00 41.96 40.54 1pwm s TYR 177 CO 0.54 -0.33 1.11 0.15 -1.57 0.00 0.00 175.55 175.45 1pwm s LYS 178 N 0.86 3.02 0.35 -0.62 1.02 -1.26 -4.98 119.74 118.14 1pwm s LYS 178 Ca -0.11 1.46 -0.29 0.00 0.02 0.00 0.00 55.97 57.05 1pwm s LYS 178 Cb -0.15 -1.97 -0.11 0.00 -0.52 0.00 0.00 37.83 35.07 1pwm s LYS 178 CO 0.01 -1.08 1.53 -0.35 -0.92 0.00 0.00 175.35 174.54 1pwm n PRO 179 N -2.00 2.71 0.05 -1.68 -0.05 -1.26 -4.85 135.00 127.91 1pwm n PRO 179 Ca 0.11 0.95 -0.12 0.00 -0.05 0.00 0.00 63.50 64.39 1pwm n PRO 179 Cb 0.52 -2.71 -0.13 0.00 -0.05 0.00 0.00 33.50 31.13 1pwm n PRO 179 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1pwm h ALA 180 N 3.56 0.36 -3.09 0.55 0.00 -1.31 -3.43 119.26 115.90 1pwm h ALA 180 Ca -0.50 -1.07 -0.17 0.00 0.00 0.00 0.00 54.91 53.17 1pwm h ALA 180 Cb 1.23 0.12 -0.23 0.00 0.00 0.00 0.00 17.79 18.91 1pwm h ALA 180 CO 0.69 1.24 -0.58 0.08 0.00 0.00 0.00 179.25 180.67 1pwm s VAL 181 N -2.65 0.06 -0.20 0.00 1.01 -1.26 -1.62 120.40 115.73 1pwm s VAL 181 Ca -0.04 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1pwm s VAL 181 Cb 0.08 -0.28 0.03 0.00 0.00 0.00 0.00 36.38 36.21 1pwm s VAL 181 CO 0.84 -0.26 -0.16 0.21 0.00 0.00 0.00 175.10 175.73 1pwm s ASN 182 N -0.84 3.50 -0.29 3.32 2.47 -0.51 -1.11 114.94 121.48 1pwm s ASN 182 Ca -0.09 -0.87 -0.15 0.00 0.42 0.00 0.00 52.86 52.17 1pwm s ASN 182 Cb -0.05 -1.46 -0.03 0.00 -1.45 0.00 0.00 41.25 38.25 1pwm s ASN 182 CO 0.00 -0.07 0.37 -1.58 -3.72 0.00 0.00 177.10 172.11 1pwm s GLN 183 N 1.26 3.90 0.07 0.43 0.74 -0.40 -1.87 119.66 123.80 1pwm s GLN 183 Ca 0.01 -0.07 0.01 0.00 0.05 0.00 0.00 55.36 55.35 1pwm s GLN 183 Cb -0.15 -3.69 -0.04 0.00 1.10 0.00 0.00 33.01 30.23 1pwm s GLN 183 CO -0.10 -0.35 -0.05 0.96 -0.55 0.00 0.00 175.29 175.20 1pwm s ILE 184 N 2.07 0.50 0.24 -2.34 -4.36 -0.04 -1.24 121.20 116.03 1pwm s ILE 184 Ca 0.14 -1.75 -0.30 0.00 -0.26 0.00 0.00 60.65 58.48 1pwm s ILE 184 Cb -0.16 -1.45 -0.10 0.00 1.25 0.00 0.00 42.46 42.01 1pwm s ILE 184 CO 0.11 -0.84 1.37 -0.70 0.24 0.00 0.00 174.94 175.11 1pwm s GLU 185 N -3.50 4.33 -0.28 0.37 2.12 -1.26 -0.92 118.70 119.56 1pwm s GLU 185 Ca 0.07 2.18 -0.16 0.00 0.36 0.00 0.00 54.97 57.42 1pwm s GLU 185 Cb 0.04 -3.14 0.09 0.00 0.26 0.00 0.00 34.13 31.38 1pwm s GLU 185 CO -0.06 -0.31 0.74 0.00 -0.54 0.00 0.00 175.26 175.09 1pwm s HIS 187 N 1.56 0.03 0.61 0.00 -3.43 -0.86 -4.25 115.29 108.95 1pwm s HIS 187 Ca -0.10 -0.37 0.42 0.00 -0.80 0.00 0.00 55.06 54.21 1pwm s HIS 187 Cb -0.05 0.67 2.26 0.00 -1.43 0.00 0.00 32.58 34.04 1pwm s HIS 187 CO -0.19 -0.82 2.33 -1.35 -2.00 0.00 0.00 174.74 172.71 1pwm h PRO 188 N 2.00 0.00 -0.00 -0.38 0.11 -1.87 -0.75 132.00 131.11 1pwm h PRO 188 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1pwm h PRO 188 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1pwm h PRO 188 CO 0.33 0.00 -0.33 0.66 -0.21 0.00 0.00 178.00 178.46 1pwm n TYR 189 N -3.20 0.00 -3.12 0.65 4.01 -1.26 -1.29 117.16 112.95 1pwm n TYR 189 Ca -0.03 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.54 1pwm n TYR 189 Cb 0.09 -0.20 -0.05 0.00 -0.31 0.00 0.00 39.34 38.87 1pwm n TYR 189 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1pwm n LEU 190 N -1.09 -1.63 0.17 7.72 7.94 -0.30 -0.82 117.00 129.00 1pwm n LEU 190 Ca 0.09 -3.82 0.12 0.00 -1.11 0.00 0.00 56.01 51.29 1pwm n LEU 190 Cb 0.33 0.64 0.19 0.00 0.53 0.00 0.00 43.42 45.12 1pwm n LEU 190 CO 0.29 1.91 0.68 0.71 -1.11 0.00 0.00 177.39 179.88 1pwm h THR 191 N 4.53 0.00 -3.20 1.96 1.35 -1.77 -2.30 112.91 113.49 1pwm h THR 191 Ca 0.16 -0.86 -0.36 0.00 -0.55 0.00 0.00 66.41 64.81 1pwm h THR 191 Cb 0.99 1.76 0.02 0.00 -1.73 0.00 0.00 68.15 69.18 1pwm h THR 191 CO 0.24 0.00 -0.50 0.00 -0.25 0.00 0.00 175.52 175.02 1pwm n GLN 192 N -2.80 -2.73 -0.26 4.72 1.13 -1.26 -4.85 117.38 111.33 1pwm n GLN 192 Ca 0.04 0.84 0.04 0.00 -1.94 0.00 0.00 57.00 55.98 1pwm n GLN 192 Cb 0.51 -5.40 0.27 0.00 0.11 0.00 0.00 30.24 25.72 1pwm n GLN 192 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1pwm h GLU 193 N -0.55 0.93 -0.21 -1.09 5.08 -1.99 -1.10 114.58 115.64 1pwm h GLU 193 Ca -0.45 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 57.68 1pwm h GLU 193 Cb 1.32 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1pwm h GLU 193 CO 0.50 0.62 -0.57 0.87 -1.00 0.00 0.00 179.01 179.43 1pwm h LYS 194 N 0.96 0.76 -0.02 2.33 1.57 -1.98 -1.66 116.57 118.53 1pwm h LYS 194 Ca 0.35 -0.54 -0.20 0.00 -1.87 0.00 0.00 60.65 58.40 1pwm h LYS 194 Cb 0.16 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1pwm h LYS 194 CO -0.12 1.16 -0.83 1.25 -0.57 0.00 0.00 179.45 180.34 1pwm h LEU 195 N 0.50 0.38 -0.48 2.94 5.85 -1.78 -1.32 115.31 121.39 1pwm h LEU 195 Ca -0.01 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 1pwm h LEU 195 Cb 1.19 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1pwm h LEU 195 CO 0.12 1.05 0.27 0.40 -0.34 0.00 0.00 178.44 179.95 1pwm h ILE 196 N 0.18 1.16 -0.39 4.05 2.04 -1.21 0.26 117.51 123.60 1pwm h ILE 196 Ca -0.05 -0.39 -0.09 0.00 1.00 0.00 0.00 64.86 65.34 1pwm h ILE 196 Cb 1.43 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1pwm h ILE 196 CO 0.13 0.17 -0.10 -0.61 0.00 0.00 0.00 178.15 177.74 1pwm h GLN 197 N 0.63 0.75 0.41 2.37 5.75 -1.09 -0.56 115.11 123.38 1pwm h GLN 197 Ca 0.17 -0.29 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 1pwm h GLN 197 Cb 0.03 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 1pwm h GLN 197 CO -0.03 0.90 -0.35 -0.92 -2.65 0.00 0.00 178.83 175.77 1pwm h TYR 198 N 0.56 -0.94 -0.11 3.99 3.20 -1.06 0.13 116.97 122.73 1pwm h TYR 198 Ca 0.10 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.98 1pwm h TYR 198 Cb 0.62 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1pwm h TYR 198 CO 0.05 -0.51 0.04 0.00 -1.64 0.00 0.00 178.16 176.11 1pwm h GLN 200 N 0.10 0.66 0.00 0.00 4.20 -1.04 0.31 115.11 119.33 1pwm h GLN 200 Ca 0.05 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1pwm h GLN 200 Cb 0.02 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1pwm h GLN 200 CO -0.04 0.56 0.00 0.66 -0.67 0.00 0.00 178.83 179.33 1pwm h SER 201 N 0.66 0.00 -0.40 1.46 4.64 -0.14 -2.32 113.55 117.45 1pwm h SER 201 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1pwm h SER 201 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1pwm h SER 201 CO -0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.24 1pwm n LYS 202 N -2.96 2.91 -1.15 4.77 4.76 0.00 -4.96 118.16 121.54 1pwm n LYS 202 Ca -0.02 -2.26 -0.05 0.00 -2.87 0.00 0.00 58.31 53.11 1pwm n LYS 202 Cb 0.12 -1.41 -0.02 0.00 -1.84 0.00 0.00 35.03 31.88 1pwm n LYS 202 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pwm n GLY 203 N 0.56 0.75 3.68 0.72 0.00 -0.87 -5.03 105.19 105.00 1pwm n GLY 203 Ca 0.15 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 1pwm n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pwm s ILE 204 N -2.07 5.11 0.21 -0.61 1.01 -0.62 -4.47 121.20 119.77 1pwm s ILE 204 Ca 0.00 1.01 -0.30 0.00 0.00 0.00 0.00 60.65 61.36 1pwm s ILE 204 Cb 0.00 -3.86 -0.08 0.00 0.01 0.00 0.00 42.46 38.53 1pwm s ILE 204 CO 0.00 0.21 0.98 -0.69 0.00 0.00 0.00 174.94 175.45 1pwm s VAL 205 N 1.35 4.04 -0.18 2.92 1.01 -0.64 -3.57 120.40 125.33 1pwm s VAL 205 Ca 0.26 1.95 -0.08 0.00 0.00 0.00 0.00 61.98 64.11 1pwm s VAL 205 Cb -0.15 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1pwm s VAL 205 CO 0.10 0.42 0.08 -0.69 0.00 0.00 0.00 175.10 175.02 1pwm s VAL 206 N -0.85 5.00 -0.18 2.92 1.01 -1.26 -1.43 120.40 125.61 1pwm s VAL 206 Ca 0.44 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.38 1pwm s VAL 206 Cb -0.27 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1pwm s VAL 206 CO 0.33 0.47 0.07 -0.89 0.00 0.00 0.00 175.10 175.08 1pwm s THR 207 N 0.21 4.81 -0.31 3.92 2.01 -0.78 -1.48 115.64 124.01 1pwm s THR 207 Ca 0.06 -0.03 -0.20 0.00 0.31 0.00 0.00 61.69 61.83 1pwm s THR 207 Cb -0.12 -3.17 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 1pwm s THR 207 CO -0.00 0.46 0.61 0.00 -0.69 0.00 0.00 174.62 175.00 1pwm s ALA 208 N 0.40 3.52 0.35 7.40 0.00 0.88 -0.86 121.76 133.45 1pwm s ALA 208 Ca 0.03 -0.70 0.07 0.00 0.00 0.00 0.00 51.96 51.36 1pwm s ALA 208 Cb -0.12 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 1pwm s ALA 208 CO 0.00 -1.09 0.49 1.52 0.00 0.00 0.00 175.76 176.67 1pwm s TYR 209 N 2.58 3.06 -1.50 0.00 -0.85 -0.09 -2.87 117.35 117.67 1pwm s TYR 209 Ca 0.24 -0.25 -0.04 0.00 -0.52 0.00 0.00 57.07 56.50 1pwm s TYR 209 Cb -0.15 -2.06 0.04 0.00 0.38 0.00 0.00 41.96 40.17 1pwm s TYR 209 CO 0.12 -0.08 0.41 0.43 -1.52 0.00 0.00 175.55 174.91 1pwm n SER 210 N -1.67 -0.68 0.28 -0.18 7.64 -1.26 -2.14 113.62 115.61 1pwm n SER 210 Ca 0.01 -1.06 0.18 0.00 1.01 0.00 0.00 58.87 59.01 1pwm n SER 210 Cb 0.58 -2.69 0.76 0.00 -1.01 0.00 0.00 64.21 61.85 1pwm n SER 210 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1pwm h PRO 211 N -1.74 0.00 -0.48 1.43 0.13 -1.80 -1.03 132.00 128.51 1pwm h PRO 211 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1pwm h PRO 211 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1pwm h PRO 211 CO 0.68 0.02 0.00 1.28 -0.23 0.00 0.00 178.00 179.75 1pwm n LEU 212 N -3.13 3.30 -0.19 1.56 4.77 -1.26 -4.80 117.00 117.24 1pwm n LEU 212 Ca -0.00 -1.52 -0.03 0.00 -0.03 0.00 0.00 56.01 54.43 1pwm n LEU 212 Cb 0.27 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1pwm n LEU 212 CO 0.27 0.76 -0.02 0.61 -1.33 0.00 0.00 177.39 177.67 1pwm n GLY 213 N 1.49 0.58 3.87 -0.72 0.00 -0.39 -4.42 105.19 105.59 1pwm n GLY 213 Ca 0.20 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 1pwm n GLY 213 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pwm n SER 214 N 1.31 -4.80 0.33 1.61 2.88 -1.26 -4.83 113.62 108.87 1pwm n SER 214 Ca -0.03 -1.13 0.22 0.00 -1.33 0.00 0.00 58.87 56.60 1pwm n SER 214 Cb 0.09 -2.49 1.16 0.00 -0.75 0.00 0.00 64.21 62.22 1pwm n SER 214 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1pwm h PRO 215 N -2.11 0.00 -0.43 -1.46 0.13 -1.98 -0.68 132.00 125.47 1pwm h PRO 215 Ca -0.68 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1pwm h PRO 215 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1pwm h PRO 215 CO 0.49 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.86 1pwm n ASP 216 N -3.15 2.59 -4.67 1.44 5.75 -1.26 -4.92 116.55 112.32 1pwm n ASP 216 Ca -0.03 -1.95 -0.44 0.00 -0.01 0.00 0.00 54.79 52.36 1pwm n ASP 216 Cb 0.09 -0.28 -0.02 0.00 -1.03 0.00 0.00 41.12 39.88 1pwm n ASP 216 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1pwm n ARG 217 N 0.91 2.02 -0.17 0.11 1.85 -0.26 -4.85 116.66 116.28 1pwm n ARG 217 Ca 0.17 0.72 0.19 0.00 -1.00 0.00 0.00 57.85 57.93 1pwm n ARG 217 Cb 0.43 -2.34 0.56 0.00 -1.05 0.00 0.00 32.46 30.06 1pwm n ARG 217 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 1pwm h PRO 218 N 3.71 0.29 -0.65 2.89 0.11 -1.93 -2.77 132.00 133.65 1pwm h PRO 218 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1pwm h PRO 218 Cb 1.28 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1pwm h PRO 218 CO 0.72 0.19 0.00 -2.67 -0.21 0.00 0.00 178.00 176.03 1pwm n TRP 219 N -4.45 1.64 -1.72 0.65 2.14 -1.26 -4.99 117.44 109.46 1pwm n TRP 219 Ca 0.16 -0.63 -0.41 0.00 2.07 0.00 0.00 57.50 58.69 1pwm n TRP 219 Cb 0.65 -0.31 0.02 0.00 -0.81 0.00 0.00 31.31 30.86 1pwm n TRP 219 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1pwm n ALA 220 N 1.05 1.46 -2.42 -1.67 0.00 -1.05 -5.03 120.51 112.86 1pwm n ALA 220 Ca 0.27 0.25 -0.28 0.00 0.00 0.00 0.00 53.44 53.68 1pwm n ALA 220 Cb 0.97 -2.30 -0.14 0.00 0.00 0.00 0.00 19.45 17.98 1pwm n ALA 220 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pwm s LYS 221 N -2.30 1.53 0.00 0.00 1.02 -1.26 -5.02 119.74 113.71 1pwm s LYS 221 Ca 0.62 -1.06 0.09 0.00 0.02 0.00 0.00 55.97 55.63 1pwm s LYS 221 Cb -0.49 -1.72 0.47 0.00 -0.52 0.00 0.00 37.83 35.57 1pwm s LYS 221 CO 0.57 0.44 1.06 -2.30 -0.92 0.00 0.00 175.35 174.20 1pwm n PRO 222 N 1.68 0.19 0.00 -1.68 -0.02 -1.26 -2.48 135.00 131.43 1pwm n PRO 222 Ca -0.17 0.11 0.01 0.00 -2.02 0.00 0.00 63.50 61.43 1pwm n PRO 222 Cb 0.53 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.40 1pwm n PRO 222 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1pwm n GLU 223 N -1.16 0.64 -0.98 -0.52 0.00 -1.26 -4.98 120.64 112.38 1pwm n GLU 223 Ca 0.05 0.10 -0.34 0.00 0.00 0.00 0.00 57.16 56.97 1pwm n GLU 223 Cb 0.05 -1.70 0.10 0.00 0.00 0.00 0.00 31.44 29.89 1pwm n GLU 223 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1pwm n ASP 224 N -2.74 -1.64 -4.61 -1.84 8.00 -1.04 -4.95 116.55 107.73 1pwm n ASP 224 Ca -0.13 0.44 -0.31 0.00 0.71 0.00 0.00 54.79 55.50 1pwm n ASP 224 Cb 0.84 -1.22 0.16 0.00 -0.02 0.00 0.00 41.12 40.88 1pwm n ASP 224 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1pwm n PRO 225 N -1.38 -0.46 -3.57 -0.24 -0.02 -1.26 -5.02 135.00 123.05 1pwm n PRO 225 Ca 0.08 -0.07 -0.26 0.00 -2.02 0.00 0.00 63.50 61.23 1pwm n PRO 225 Cb 0.52 -2.27 -0.16 0.00 -0.02 0.00 0.00 33.50 31.58 1pwm n PRO 225 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1pwm s SER 226 N -2.50 2.62 0.17 2.55 0.15 -1.26 -5.00 113.70 110.43 1pwm s SER 226 Ca 0.65 -0.80 -0.14 0.00 0.70 0.00 0.00 55.95 56.36 1pwm s SER 226 Cb -0.23 -0.21 0.06 0.00 -1.71 0.00 0.00 66.02 63.94 1pwm s SER 226 CO 0.60 -0.38 1.83 -0.07 1.20 0.00 0.00 173.24 176.43 1pwm h LEU 227 N 8.40 0.61 -2.37 3.45 3.38 -1.93 -1.98 115.31 124.87 1pwm h LEU 227 Ca -0.17 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1pwm h LEU 227 Cb 1.10 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1pwm h LEU 227 CO 0.34 0.45 -0.03 -0.07 0.09 0.00 0.00 178.44 179.22 1pwm h LEU 228 N 0.71 0.00 -2.21 1.67 3.38 -1.95 -2.62 115.31 114.29 1pwm h LEU 228 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1pwm h LEU 228 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1pwm h LEU 228 CO -0.04 0.03 0.00 -0.62 0.09 0.00 0.00 178.44 177.90 1pwm n GLU 229 N -3.29 1.81 -2.31 1.13 1.02 -0.99 -4.91 120.64 113.10 1pwm n GLU 229 Ca -0.02 -1.66 -0.43 0.00 -0.02 0.00 0.00 57.16 55.03 1pwm n GLU 229 Cb 0.16 -1.25 -0.02 0.00 -0.02 0.00 0.00 31.44 30.30 1pwm n GLU 229 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1pwm s ASP 230 N -0.99 6.81 0.54 1.62 -1.08 -0.78 -4.88 116.67 117.91 1pwm s ASP 230 Ca 0.19 1.73 0.24 0.00 -0.52 0.00 0.00 52.55 54.19 1pwm s ASP 230 Cb 0.11 -2.54 1.52 0.00 -1.46 0.00 0.00 42.92 40.55 1pwm s ASP 230 CO 0.16 -0.88 2.17 -0.65 0.52 0.00 0.00 175.17 176.49 1pwm h PRO 231 N 8.83 0.00 -0.26 4.34 0.11 -1.91 -1.05 132.00 142.05 1pwm h PRO 231 Ca -0.29 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.70 1pwm h PRO 231 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1pwm h PRO 231 CO 0.98 0.04 -0.32 0.00 -0.21 0.00 0.00 178.00 178.48 1pwm h ARG 232 N 0.00 0.56 0.07 1.05 3.08 -1.97 -0.92 114.38 116.24 1pwm h ARG 232 Ca -0.00 -0.25 -0.28 0.00 0.07 0.00 0.00 59.98 59.52 1pwm h ARG 232 Cb 0.08 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.14 1pwm h ARG 232 CO 0.00 0.81 -1.14 0.82 -1.07 0.00 0.00 179.97 179.39 1pwm h ILE 233 N 0.48 1.32 -0.95 2.04 2.04 -1.67 -3.00 117.51 117.76 1pwm h ILE 233 Ca 0.06 -2.44 0.15 0.00 1.00 0.00 0.00 64.86 63.62 1pwm h ILE 233 Cb 0.79 2.58 -0.08 0.00 -0.74 0.00 0.00 36.82 39.37 1pwm h ILE 233 CO 0.06 0.74 0.60 0.11 0.00 0.00 0.00 178.15 179.67 1pwm h LYS 234 N 0.29 0.75 -0.29 2.37 1.57 -1.14 -1.27 116.57 118.85 1pwm h LYS 234 Ca -0.15 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.47 1pwm h LYS 234 Cb 1.81 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.94 1pwm h LYS 234 CO 0.22 0.50 -0.27 0.00 -0.57 0.00 0.00 179.45 179.32 1pwm h ALA 235 N 1.59 0.43 -0.48 3.86 0.00 -1.08 -0.85 119.26 122.74 1pwm h ALA 235 Ca 0.49 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1pwm h ALA 235 Cb 0.73 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1pwm h ALA 235 CO -0.26 0.44 0.25 0.82 0.00 0.00 0.00 179.25 180.49 1pwm h ILE 236 N 0.45 1.18 -0.42 0.00 2.04 -1.28 -1.48 117.51 118.01 1pwm h ILE 236 Ca 0.05 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.47 1pwm h ILE 236 Cb 0.84 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1pwm h ILE 236 CO 0.07 0.20 0.16 0.00 0.00 0.00 0.00 178.15 178.57 1pwm h ALA 237 N 1.09 0.50 -0.76 1.87 0.00 -1.14 -2.54 119.26 118.27 1pwm h ALA 237 Ca 0.17 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1pwm h ALA 237 Cb 0.09 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1pwm h ALA 237 CO -0.02 -0.23 0.44 0.00 0.00 0.00 0.00 179.25 179.44 1pwm h ALA 238 N 1.26 0.97 -1.00 0.00 0.00 -0.89 -0.38 119.26 119.23 1pwm h ALA 238 Ca 0.19 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.08 1pwm h ALA 238 Cb 0.17 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 1pwm h ALA 238 CO -0.19 0.47 0.64 -0.22 0.00 0.00 0.00 179.25 179.95 1pwm h LYS 239 N 1.05 1.09 -0.06 0.00 3.64 -0.94 -1.59 116.57 119.76 1pwm h LYS 239 Ca 0.27 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1pwm h LYS 239 Cb 0.00 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1pwm h LYS 239 CO -0.05 0.72 0.00 0.72 -2.27 0.00 0.00 179.45 178.57 1pwm n HIS 240 N -4.53 0.06 -3.71 1.91 8.25 -0.78 -4.96 115.22 111.46 1pwm n HIS 240 Ca 0.16 -0.03 -0.23 0.00 -0.26 0.00 0.00 57.72 57.37 1pwm n HIS 240 Cb 0.24 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.39 1pwm n HIS 240 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1pwm n ASN 241 N 0.63 -2.56 -4.40 0.41 2.85 -0.25 -5.00 115.26 106.95 1pwm n ASN 241 Ca 0.17 -0.76 -0.20 0.00 -0.11 0.00 0.00 54.58 53.68 1pwm n ASN 241 Cb 0.44 -4.24 -0.10 0.00 1.24 0.00 0.00 39.78 37.12 1pwm n ASN 241 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1pwm s LYS 242 N -6.08 1.53 0.61 1.20 -0.14 -0.63 -5.03 119.74 111.19 1pwm s LYS 242 Ca 0.21 -1.82 -0.09 0.00 -1.36 0.00 0.00 55.97 52.90 1pwm s LYS 242 Cb -0.10 -0.71 -0.02 0.00 -1.68 0.00 0.00 37.83 35.32 1pwm s LYS 242 CO 0.80 -0.17 0.98 0.95 -0.76 0.00 0.00 175.35 177.14 1pwm s THR 243 N -3.40 4.38 0.23 2.17 -4.23 -1.26 -4.17 115.64 109.36 1pwm s THR 243 Ca 0.35 0.56 -0.07 0.00 -1.18 0.00 0.00 61.69 61.34 1pwm s THR 243 Cb 0.08 -3.74 0.20 0.00 1.34 0.00 0.00 72.50 70.38 1pwm s THR 243 CO 0.13 -0.90 1.88 0.71 -0.54 0.00 0.00 174.62 175.90 1pwm h THR 244 N -0.26 1.14 -0.87 3.99 1.35 -1.91 -1.81 112.91 114.53 1pwm h THR 244 Ca -0.45 -0.37 0.02 0.00 -0.55 0.00 0.00 66.41 65.06 1pwm h THR 244 Cb 1.21 -0.03 -0.05 0.00 -1.73 0.00 0.00 68.15 67.56 1pwm h THR 244 CO 0.62 0.20 0.58 0.00 -0.25 0.00 0.00 175.52 176.66 1pwm h ALA 245 N 1.35 1.12 -0.80 6.62 0.00 -1.93 -0.76 119.26 124.87 1pwm h ALA 245 Ca 0.34 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1pwm h ALA 245 Cb -0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 1pwm h ALA 245 CO -0.11 0.49 0.39 1.96 0.00 0.00 0.00 179.25 181.97 1pwm h GLN 246 N 1.16 1.14 -0.50 0.00 4.20 -1.71 -0.82 115.11 118.58 1pwm h GLN 246 Ca 0.33 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 1pwm h GLN 246 Cb -0.10 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.45 1pwm h GLN 246 CO -0.08 0.87 0.19 0.28 -0.67 0.00 0.00 178.83 179.42 1pwm h VAL 247 N 1.13 1.21 0.00 -0.54 2.07 -0.83 -0.66 116.25 118.63 1pwm h VAL 247 Ca 0.28 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 1pwm h VAL 247 Cb 0.10 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1pwm h VAL 247 CO -0.04 0.25 -0.17 -0.07 0.02 0.00 0.00 177.57 177.56 1pwm h LEU 248 N 0.66 0.00 0.20 2.57 3.38 -0.57 -1.01 115.31 120.55 1pwm h LEU 248 Ca 0.16 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.83 1pwm h LEU 248 Cb 0.21 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.98 1pwm h LEU 248 CO -0.01 0.17 -1.38 0.40 0.09 0.00 0.00 178.44 177.71 1pwm h ILE 249 N 0.00 1.23 -0.27 1.22 2.04 -0.99 -3.35 117.51 117.39 1pwm h ILE 249 Ca -0.00 -2.59 -0.07 0.00 1.00 0.00 0.00 64.86 63.20 1pwm h ILE 249 Cb 0.36 2.98 -0.02 0.00 -0.74 0.00 0.00 36.82 39.40 1pwm h ILE 249 CO 0.02 0.79 -0.13 -0.09 0.00 0.00 0.00 178.15 178.74 1pwm h ARG 250 N -0.04 0.46 0.03 2.37 9.65 -0.87 -3.22 114.38 122.77 1pwm h ARG 250 Ca -0.26 -0.13 0.02 0.00 -1.10 0.00 0.00 59.98 58.51 1pwm h ARG 250 Cb 1.99 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 30.46 1pwm h ARG 250 CO 0.20 0.59 -0.54 0.35 2.80 0.00 0.00 179.97 183.37 1pwm h PHE 251 N 0.43 -1.58 -0.23 2.20 3.57 -1.32 -1.91 116.94 118.09 1pwm h PHE 251 Ca 0.08 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 1pwm h PHE 251 Cb 0.48 0.68 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 1pwm h PHE 251 CO 0.01 -0.58 -0.06 -1.00 -2.23 0.00 0.00 178.31 174.46 1pwm h PRO 252 N -0.70 0.36 -0.99 6.41 0.13 -1.74 -2.42 132.00 133.06 1pwm h PRO 252 Ca 0.01 -0.07 0.09 0.00 -0.87 0.00 0.00 66.00 65.15 1pwm h PRO 252 Cb 0.73 -0.05 -0.07 0.00 0.13 0.00 0.00 31.00 31.74 1pwm h PRO 252 CO -0.34 0.44 0.63 0.52 -0.23 0.00 0.00 178.00 179.01 1pwm h MET 253 N 0.35 1.03 -0.00 0.86 2.86 -1.40 -0.46 114.93 118.17 1pwm h MET 253 Ca 0.07 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1pwm h MET 253 Cb 0.32 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1pwm h MET 253 CO 0.01 0.68 -0.01 1.04 1.06 0.00 0.00 176.91 179.70 1pwm n GLN 254 N -4.55 0.73 -0.47 1.72 6.02 -0.78 -1.84 117.38 118.21 1pwm n GLN 254 Ca 0.17 -0.03 0.11 0.00 -0.01 0.00 0.00 57.00 57.23 1pwm n GLN 254 Cb 0.27 -1.50 0.34 0.00 1.02 0.00 0.00 30.24 30.37 1pwm n GLN 254 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1pwm n ARG 255 N -1.10 3.10 -2.36 -1.09 1.74 -0.25 -4.93 116.66 111.77 1pwm n ARG 255 Ca 0.19 -2.75 -0.17 0.00 -0.77 0.00 0.00 57.85 54.35 1pwm n ARG 255 Cb 0.19 -1.70 -0.01 0.00 -1.02 0.00 0.00 32.46 29.92 1pwm n ARG 255 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1pwm n ASN 256 N 1.49 -4.99 -4.94 0.55 5.15 -0.77 -5.02 115.26 106.73 1pwm n ASN 256 Ca 0.25 -0.03 -0.24 0.00 -0.60 0.00 0.00 54.58 53.96 1pwm n ASN 256 Cb 0.73 -4.07 -0.02 0.00 -0.53 0.00 0.00 39.78 35.88 1pwm n ASN 256 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1pwm s LEU 257 N -4.88 4.14 0.24 1.20 1.43 -0.80 -4.73 118.68 115.27 1pwm s LEU 257 Ca 0.02 0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 53.38 1pwm s LEU 257 Cb -0.01 -3.18 -0.07 0.00 0.03 0.00 0.00 46.19 42.96 1pwm s LEU 257 CO 0.02 -0.17 0.57 -0.69 0.23 0.00 0.00 176.35 176.31 1pwm s VAL 258 N -2.11 4.91 -0.01 -1.59 1.01 -0.55 -4.16 120.40 117.90 1pwm s VAL 258 Ca 0.38 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.88 1pwm s VAL 258 Cb -0.10 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 1pwm s VAL 258 CO 0.32 -0.07 0.02 0.54 0.00 0.00 0.00 175.10 175.91 1pwm s VAL 259 N -1.82 0.02 -0.46 2.92 0.11 0.32 -0.09 120.40 121.40 1pwm s VAL 259 Ca 0.48 -0.14 0.09 0.00 -2.93 0.00 0.00 61.98 59.47 1pwm s VAL 259 Cb -0.11 -0.09 0.31 0.00 -1.53 0.00 0.00 36.38 34.96 1pwm s VAL 259 CO 0.21 -0.08 0.74 2.30 -3.33 0.00 0.00 175.10 174.94 1pwm n ILE 260 N 2.83 0.88 -1.85 7.04 -5.35 -1.14 -1.28 119.36 120.49 1pwm n ILE 260 Ca -0.14 -4.80 -0.41 0.00 -0.27 0.00 0.00 62.75 57.14 1pwm n ILE 260 Cb 0.59 -1.19 -0.00 0.00 -1.74 0.00 0.00 39.64 37.30 1pwm n ILE 260 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1pwm s PRO 261 N -2.41 4.09 -0.11 6.28 0.04 -1.23 -3.30 135.00 138.35 1pwm s PRO 261 Ca 0.41 2.50 -0.10 0.00 0.04 0.00 0.00 61.00 63.85 1pwm s PRO 261 Cb 0.26 -2.94 -0.05 0.00 0.04 0.00 0.00 34.50 31.82 1pwm s PRO 261 CO -0.09 -0.52 0.21 0.21 0.04 0.00 0.00 177.00 176.85 1pwm s LYS 262 N -2.10 3.74 -0.03 4.56 2.36 -1.26 -1.43 119.74 125.57 1pwm s LYS 262 Ca 0.53 0.00 -0.22 0.00 -2.55 0.00 0.00 55.97 53.73 1pwm s LYS 262 Cb -0.45 -3.25 0.04 0.00 -1.05 0.00 0.00 37.83 33.12 1pwm s LYS 262 CO 0.61 0.63 0.48 0.45 1.55 0.00 0.00 175.35 179.07 1pwm s SER 263 N -0.68 -0.41 0.00 1.43 0.15 -1.26 -4.94 113.70 107.99 1pwm s SER 263 Ca 0.16 0.36 0.10 0.00 0.70 0.00 0.00 55.95 57.27 1pwm s SER 263 Cb -0.13 0.42 0.22 0.00 -1.71 0.00 0.00 66.02 64.82 1pwm s SER 263 CO 0.05 -0.53 1.12 1.33 1.20 0.00 0.00 173.24 176.41 1pwm n VAL 264 N 1.06 0.75 -3.43 4.45 0.24 -1.26 -4.90 118.33 115.24 1pwm n VAL 264 Ca -0.20 -0.87 -0.40 0.00 -2.04 0.00 0.00 64.34 60.82 1pwm n VAL 264 Cb 0.57 0.68 -0.10 0.00 -1.47 0.00 0.00 33.84 33.52 1pwm n VAL 264 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1pwm s THR 265 N -0.96 5.19 0.26 3.34 2.01 -1.26 -4.78 115.64 119.44 1pwm s THR 265 Ca 0.18 0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.29 1pwm s THR 265 Cb 0.10 -3.76 0.24 0.00 0.01 0.00 0.00 72.50 69.08 1pwm s THR 265 CO 0.14 -0.01 1.78 -0.65 -0.69 0.00 0.00 174.62 175.18 1pwm h PRO 266 N 8.41 0.66 -0.47 4.92 0.11 -1.97 0.01 132.00 143.67 1pwm h PRO 266 Ca -0.31 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.70 1pwm h PRO 266 Cb 1.15 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1pwm h PRO 266 CO 0.67 0.44 0.02 0.93 -0.21 0.00 0.00 178.00 179.84 1pwm h GLU 267 N 0.68 0.77 -0.15 1.05 3.07 -2.00 -2.22 114.58 115.78 1pwm h GLU 267 Ca 0.45 -0.20 -0.20 0.00 -0.50 0.00 0.00 59.36 58.91 1pwm h GLU 267 Cb 0.57 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1pwm h GLU 267 CO -0.33 0.77 -0.71 0.00 -1.40 0.00 0.00 179.01 177.34 1pwm h ARG 268 N 0.72 0.66 -0.39 2.33 3.08 -1.61 -0.52 114.38 118.66 1pwm h ARG 268 Ca 0.14 -0.51 0.06 0.00 0.07 0.00 0.00 59.98 59.74 1pwm h ARG 268 Cb 0.42 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.51 1pwm h ARG 268 CO 0.02 1.13 0.08 0.82 -1.07 0.00 0.00 179.97 180.95 1pwm h ILE 269 N 0.47 0.81 0.06 2.04 2.04 -0.81 0.78 117.51 122.90 1pwm h ILE 269 Ca -0.03 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1pwm h ILE 269 Cb 1.31 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1pwm h ILE 269 CO 0.14 0.04 -0.03 0.00 0.00 0.00 0.00 178.15 178.30 1pwm h ALA 270 N 1.29 -0.08 0.00 1.87 0.00 -1.35 -3.08 119.26 117.91 1pwm h ALA 270 Ca 0.18 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1pwm h ALA 270 Cb 0.21 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1pwm h ALA 270 CO -0.24 -0.43 -0.24 1.49 0.00 0.00 0.00 179.25 179.83 1pwm h GLU 271 N -0.31 0.00 0.00 0.00 4.81 -0.85 -2.47 114.58 115.76 1pwm h GLU 271 Ca -0.01 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1pwm h GLU 271 Cb 0.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1pwm h GLU 271 CO 0.01 0.24 -0.09 -0.91 -0.73 0.00 0.00 179.01 177.54 1pwm h ASN 272 N 0.00 0.00 1.59 1.04 2.35 -0.77 -1.45 115.58 118.34 1pwm h ASN 272 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1pwm h ASN 272 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1pwm h ASN 272 CO 0.03 0.09 -0.09 0.15 -1.65 0.00 0.00 177.43 175.96 1pwm h PHE 273 N 0.00 0.00 -0.63 1.19 3.57 -1.36 -3.41 116.94 116.30 1pwm h PHE 273 Ca -0.00 0.00 -0.73 0.00 3.53 0.00 0.00 57.97 60.77 1pwm h PHE 273 Cb 0.55 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.21 1pwm h PHE 273 CO 0.00 0.00 2.75 1.17 -2.23 0.00 0.00 178.31 180.00 1pwm n LYS 274 N -2.55 3.44 -0.04 1.11 4.81 -0.55 -4.32 118.16 120.07 1pwm n LYS 274 Ca 0.05 -2.98 0.00 0.00 -0.87 0.00 0.00 58.31 54.50 1pwm n LYS 274 Cb 0.47 -3.02 0.00 0.00 0.02 0.00 0.00 35.03 32.50 1pwm n LYS 274 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1pwm n VAL 275 N 3.87 0.18 -0.39 3.15 0.24 -1.26 -4.79 118.33 119.32 1pwm n VAL 275 Ca 0.52 -0.18 0.11 0.00 -2.04 0.00 0.00 64.34 62.75 1pwm n VAL 275 Cb 0.34 0.87 0.32 0.00 -1.47 0.00 0.00 33.84 33.90 1pwm n VAL 275 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1pwm n PHE 276 N -0.10 1.01 -0.27 6.34 3.72 -1.26 -4.46 117.46 122.44 1pwm n PHE 276 Ca 0.00 -0.52 0.01 0.00 -0.05 0.00 0.00 57.45 56.90 1pwm n PHE 276 Cb 0.48 -0.03 0.02 0.00 -0.94 0.00 0.00 39.48 39.01 1pwm n PHE 276 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1pwm n ASP 277 N 1.50 1.83 -3.64 4.37 5.75 -1.26 -4.16 116.55 120.94 1pwm n ASP 277 Ca 0.24 -2.05 -0.15 0.00 -0.01 0.00 0.00 54.79 52.82 1pwm n ASP 277 Cb 0.64 -0.06 -0.07 0.00 -1.03 0.00 0.00 41.12 40.60 1pwm n ASP 277 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1pwm s PHE 278 N -1.14 -0.37 -0.06 2.11 -0.71 -1.26 -5.16 117.98 111.38 1pwm s PHE 278 Ca 0.04 0.52 0.05 0.00 -1.04 0.00 0.00 56.93 56.51 1pwm s PHE 278 Cb 0.04 0.25 -0.01 0.00 -1.21 0.00 0.00 43.02 42.10 1pwm s PHE 278 CO 0.00 -0.54 -0.22 -2.00 -1.34 0.00 0.00 175.22 171.12 1pwm s GLU 279 N -1.78 2.39 0.20 1.99 2.12 -1.26 -5.04 118.70 117.31 1pwm s GLU 279 Ca -0.09 -0.80 -0.30 0.00 0.36 0.00 0.00 54.97 54.14 1pwm s GLU 279 Cb -0.02 -1.98 -0.08 0.00 0.26 0.00 0.00 34.13 32.31 1pwm s GLU 279 CO 0.03 0.29 0.97 -0.51 -0.54 0.00 0.00 175.26 175.50 1pwm s LEU 280 N 0.02 4.59 0.89 2.70 1.43 -1.26 -5.05 118.68 121.99 1pwm s LEU 280 Ca -0.07 1.92 -0.12 0.00 -1.03 0.00 0.00 54.13 54.84 1pwm s LEU 280 Cb -0.14 -3.60 0.13 0.00 0.03 0.00 0.00 46.19 42.60 1pwm s LEU 280 CO 0.04 0.05 1.10 -0.94 0.23 0.00 0.00 176.35 176.83 1pwm s SER 281 N -0.71 3.60 0.33 2.29 1.04 -1.26 -4.82 113.70 114.17 1pwm s SER 281 Ca 0.44 1.28 0.01 0.00 0.48 0.00 0.00 55.95 58.15 1pwm s SER 281 Cb -0.26 -1.95 0.57 0.00 0.10 0.00 0.00 66.02 64.48 1pwm s SER 281 CO 0.32 -2.53 1.99 0.77 0.98 0.00 0.00 173.24 174.77 1pwm h SER 282 N -1.48 0.81 -0.51 7.02 4.64 -1.99 -0.02 113.55 122.03 1pwm h SER 282 Ca -0.50 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 60.78 1pwm h SER 282 Cb 1.30 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 1pwm h SER 282 CO 0.58 0.58 0.21 -0.61 -0.87 0.00 0.00 176.83 176.72 1pwm h GLN 283 N 0.96 0.76 -0.50 4.77 4.15 -1.99 0.08 115.11 123.33 1pwm h GLN 283 Ca 0.27 -0.13 0.03 0.00 0.77 0.00 0.00 58.65 59.59 1pwm h GLN 283 Cb -0.06 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.46 1pwm h GLN 283 CO -0.07 0.66 0.29 -0.44 -1.93 0.00 0.00 178.83 177.35 1pwm h ASP 284 N 0.69 0.46 -0.28 -0.69 3.45 -1.71 0.51 116.42 118.84 1pwm h ASP 284 Ca 0.17 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.63 1pwm h ASP 284 Cb 0.18 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 1pwm h ASP 284 CO -0.02 0.32 0.13 0.24 -1.57 0.00 0.00 179.24 178.35 1pwm h MET 285 N 0.57 0.41 -0.61 3.56 2.86 -0.62 0.04 114.93 121.15 1pwm h MET 285 Ca 0.21 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.72 1pwm h MET 285 Cb 0.05 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 1pwm h MET 285 CO -0.11 0.40 0.11 1.15 1.06 0.00 0.00 176.91 179.53 1pwm h THR 286 N 0.32 1.25 -0.32 2.22 2.02 -0.85 -0.46 112.91 117.08 1pwm h THR 286 Ca 0.10 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 1pwm h THR 286 Cb 0.13 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1pwm h THR 286 CO -0.01 0.35 0.18 0.74 0.37 0.00 0.00 175.52 177.15 1pwm h THR 287 N 0.92 1.13 -0.84 3.16 2.02 -0.63 -1.41 112.91 117.25 1pwm h THR 287 Ca 0.19 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 1pwm h THR 287 Cb 0.38 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 1pwm h THR 287 CO 0.01 0.13 0.40 -0.07 0.37 0.00 0.00 175.52 176.36 1pwm h LEU 288 N 0.41 1.11 -1.90 2.58 3.38 -0.67 -1.68 115.31 118.53 1pwm h LEU 288 Ca 0.11 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1pwm h LEU 288 Cb 0.04 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1pwm h LEU 288 CO -0.02 0.93 -0.04 -0.07 0.09 0.00 0.00 178.44 179.33 1pwm h LEU 289 N 1.20 0.01 -0.34 1.67 3.38 -0.82 -2.33 115.31 118.08 1pwm h LEU 289 Ca 0.29 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1pwm h LEU 289 Cb 0.12 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1pwm h LEU 289 CO -0.04 0.05 0.00 -1.54 0.09 0.00 0.00 178.44 177.01 1pwm n SER 290 N -4.48 0.29 -0.14 -0.43 3.41 -0.55 -2.49 113.62 109.22 1pwm n SER 290 Ca -0.03 0.58 0.15 0.00 -0.26 0.00 0.00 58.87 59.31 1pwm n SER 290 Cb 0.13 -0.64 0.82 0.00 -0.26 0.00 0.00 64.21 64.26 1pwm n SER 290 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1pwm n TYR 291 N -1.82 0.00 -1.66 7.33 4.01 -0.88 -4.91 117.16 119.23 1pwm n TYR 291 Ca 0.02 0.00 -0.47 0.00 -0.16 0.00 0.00 57.90 57.30 1pwm n TYR 291 Cb 0.17 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.15 1pwm n TYR 291 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1pwm n ASN 292 N -0.66 2.80 0.00 7.72 5.15 -0.41 -4.32 115.26 125.53 1pwm n ASN 292 Ca 0.22 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 55.30 1pwm n ASN 292 Cb 0.19 -1.39 0.00 0.00 -0.53 0.00 0.00 39.78 38.05 1pwm n ASN 292 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1pwm n ARG 293 N 3.03 0.38 -4.39 1.20 5.12 -0.43 -4.97 116.66 116.59 1pwm n ARG 293 Ca 0.16 -0.64 -0.38 0.00 -1.93 0.00 0.00 57.85 55.06 1pwm n ARG 293 Cb 0.28 -0.82 -0.07 0.00 -1.16 0.00 0.00 32.46 30.69 1pwm n ARG 293 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1pwm n ASN 294 N -0.13 -1.62 -4.64 0.55 3.02 0.00 -4.93 115.26 107.51 1pwm n ASN 294 Ca 0.00 -1.18 -0.40 0.00 -0.03 0.00 0.00 54.58 52.98 1pwm n ASN 294 Cb 0.19 -1.99 -0.07 0.00 -0.61 0.00 0.00 39.78 37.30 1pwm n ASN 294 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1pwm s TRP 295 N -3.51 3.32 -0.17 3.10 -0.00 -0.63 -4.97 118.94 116.08 1pwm s TRP 295 Ca 0.61 0.70 -0.04 0.00 -0.00 0.00 0.00 56.10 57.38 1pwm s TRP 295 Cb -0.35 -2.70 -0.02 0.00 -0.00 0.00 0.00 33.47 30.40 1pwm s TRP 295 CO 0.99 -0.20 -0.04 1.03 -0.00 0.00 0.00 176.95 178.73 1pwm s ARG 296 N 1.99 3.58 0.09 5.86 0.52 -1.26 -4.35 118.95 125.38 1pwm s ARG 296 Ca 0.22 -0.56 -0.12 0.00 -0.52 0.00 0.00 55.73 54.75 1pwm s ARG 296 Cb -0.15 -2.93 -0.18 0.00 0.52 0.00 0.00 34.95 32.21 1pwm s ARG 296 CO 0.09 0.13 1.26 0.28 0.02 0.00 0.00 175.30 177.08 1pwm h VAL 297 N 5.31 1.28 -3.52 3.52 2.07 -1.97 -3.42 116.25 119.53 1pwm h VAL 297 Ca -0.33 -2.11 -0.70 0.00 0.82 0.00 0.00 66.70 64.38 1pwm h VAL 297 Cb 1.19 2.17 -0.35 0.00 -1.52 0.00 0.00 31.29 32.78 1pwm h VAL 297 CO 0.61 0.66 -0.41 0.00 0.02 0.00 0.00 177.57 178.45 1pwm n ALA 299 N 3.79 2.47 -3.71 0.00 0.00 -1.26 -5.01 120.51 116.79 1pwm n ALA 299 Ca 0.05 -0.63 -0.29 0.00 0.00 0.00 0.00 53.44 52.58 1pwm n ALA 299 Cb 0.39 -0.53 0.03 0.00 0.00 0.00 0.00 19.45 19.34 1pwm n ALA 299 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1pwm n LEU 300 N 0.89 -2.88 0.30 0.00 7.94 -1.26 -4.86 117.00 117.12 1pwm n LEU 300 Ca 0.09 -0.98 0.20 0.00 -1.11 0.00 0.00 56.01 54.21 1pwm n LEU 300 Cb 0.39 -2.43 0.95 0.00 0.53 0.00 0.00 43.42 42.87 1pwm n LEU 300 CO 0.10 0.44 1.08 -0.07 -1.11 0.00 0.00 177.39 177.83 1pwm h LEU 301 N -1.85 0.00 -0.47 -1.96 3.38 -1.99 -2.08 115.31 110.34 1pwm h LEU 301 Ca -0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1pwm h LEU 301 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1pwm h LEU 301 CO 0.51 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.50 1pwm n SER 302 N -3.01 0.72 -0.10 -0.43 3.41 -1.26 -3.84 113.62 109.11 1pwm n SER 302 Ca -0.01 -1.48 0.05 0.00 -0.26 0.00 0.00 58.87 57.16 1pwm n SER 302 Cb 0.17 -0.04 0.06 0.00 -0.26 0.00 0.00 64.21 64.15 1pwm n SER 302 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pwm n THR 304 N -0.81 1.08 1.02 0.00 -2.24 -1.25 -1.72 114.28 110.34 1pwm n THR 304 Ca 0.07 0.35 0.11 0.00 -2.27 0.00 0.00 64.05 62.31 1pwm n THR 304 Cb 0.51 -1.24 -0.00 0.00 -2.10 0.00 0.00 70.33 67.50 1pwm n THR 304 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1pwm n SER 305 N -1.89 1.16 -4.75 3.42 3.41 -1.26 -4.89 113.62 108.81 1pwm n SER 305 Ca 0.02 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.21 1pwm n SER 305 Cb 0.15 0.71 -0.01 0.00 -0.26 0.00 0.00 64.21 64.80 1pwm n SER 305 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1pwm n HIS 306 N -1.10 2.85 0.21 7.33 -0.00 -0.70 -4.85 115.22 118.95 1pwm n HIS 306 Ca 0.06 0.39 0.11 0.00 -0.00 0.00 0.00 57.72 58.28 1pwm n HIS 306 Cb 0.36 -2.54 0.66 0.00 -0.00 0.00 0.00 29.99 28.47 1pwm n HIS 306 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.34 177.91 1pwm h LYS 307 N 3.55 0.00 -0.63 1.57 2.10 -1.93 -1.12 116.57 120.10 1pwm h LYS 307 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1pwm h LYS 307 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1pwm h LYS 307 CO 0.69 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.89 1pwm n ASP 308 N -4.49 4.67 -4.68 7.07 8.00 -1.26 -4.99 116.55 120.87 1pwm n ASP 308 Ca -0.00 -2.44 -0.45 0.00 0.71 0.00 0.00 54.79 52.61 1pwm n ASP 308 Cb 0.20 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 40.69 1pwm n ASP 308 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pwm n TYR 309 N 1.08 2.38 0.34 1.24 9.36 -0.43 -4.42 117.16 126.70 1pwm n TYR 309 Ca 0.25 0.22 0.12 0.00 3.32 0.00 0.00 57.90 61.81 1pwm n TYR 309 Cb 0.87 -2.57 0.15 0.00 -0.63 0.00 0.00 39.34 37.16 1pwm n TYR 309 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1pwm h PRO 310 N 6.10 0.00 -0.44 2.98 0.13 -1.91 -3.38 132.00 135.48 1pwm h PRO 310 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1pwm h PRO 310 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1pwm h PRO 310 CO 0.90 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.86 1pwm n PHE 311 N -2.58 1.01 0.01 1.56 3.72 -1.26 -4.06 117.46 115.86 1pwm n PHE 311 Ca 0.03 -0.66 -0.01 0.00 -0.05 0.00 0.00 57.45 56.77 1pwm n PHE 311 Cb 0.50 -0.20 -0.00 0.00 -0.94 0.00 0.00 39.48 38.84 1pwm n PHE 311 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1pwm h HIS 312 N 2.77 -0.03 -2.12 1.38 3.86 -1.97 -3.46 115.15 115.58 1pwm h HIS 312 Ca 0.00 -0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 1pwm h HIS 312 Cb 1.23 0.01 0.16 0.00 1.06 0.00 0.00 27.41 29.88 1pwm h HIS 312 CO 0.52 -0.02 -0.81 0.39 0.86 0.00 0.00 177.93 178.88 1pwm n GLU 313 N -2.10 0.20 0.27 2.45 -0.58 -1.26 -4.85 120.64 114.76 1pwm n GLU 313 Ca -0.00 0.07 0.14 0.00 -0.42 0.00 0.00 57.16 56.95 1pwm n GLU 313 Cb 0.01 -1.22 0.73 0.00 -0.57 0.00 0.00 31.44 30.40 1pwm n GLU 313 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1pwm h GLU 314 N 0.31 0.00 0.00 3.49 4.81 -1.92 -3.51 114.58 117.76 1pwm h GLU 314 Ca -0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1pwm h GLU 314 Cb 1.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.81 1pwm h GLU 314 CO 0.46 0.11 0.00 1.97 -0.73 0.00 0.00 179.01 180.82