#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4d s THR 5 N 0.00 2.91 -0.08 3.17 -4.23 -1.26 -5.07 115.64 111.08 1h4d s THR 5 Ca 0.00 -1.47 -0.22 0.00 -1.18 0.00 0.00 61.69 58.82 1h4d s THR 5 Cb 0.00 -3.04 -0.29 0.00 1.34 0.00 0.00 72.50 70.50 1h4d s THR 5 CO 0.00 -0.08 0.79 0.71 -0.54 0.00 0.00 174.62 175.49 1h4d h THR 6 N 1.25 1.44 -3.35 3.99 1.35 -2.01 -3.45 112.91 112.13 1h4d h THR 6 Ca -0.43 -2.47 -0.64 0.00 -0.55 0.00 0.00 66.41 62.31 1h4d h THR 6 Cb 1.26 3.11 -0.33 0.00 -1.73 0.00 0.00 68.15 70.45 1h4d h THR 6 CO 0.61 0.68 -0.87 -0.63 -0.25 0.00 0.00 175.52 175.07 1h4d s ILE 7 N -2.40 1.86 -0.14 6.82 1.01 -1.26 -3.26 121.20 123.82 1h4d s ILE 7 Ca -0.16 -0.90 -0.20 0.00 0.00 0.00 0.00 60.65 59.39 1h4d s ILE 7 Cb 0.01 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 1h4d s ILE 7 CO 0.79 0.52 0.56 -0.89 0.00 0.00 0.00 174.94 175.91 1h4d s THR 8 N 0.44 5.12 0.35 2.92 2.01 0.07 -4.68 115.64 121.86 1h4d s THR 8 Ca -0.17 1.09 -0.22 0.00 0.31 0.00 0.00 61.69 62.69 1h4d s THR 8 Cb -0.17 -3.89 -0.10 0.00 0.01 0.00 0.00 72.50 68.35 1h4d s THR 8 CO 0.07 0.24 0.90 -0.83 -0.69 0.00 0.00 174.62 174.32 1h4d s GLY 9 N 0.86 2.58 -0.04 4.40 0.00 0.14 -0.92 107.32 114.35 1h4d s GLY 9 Ca 0.28 0.39 -0.02 0.00 0.00 0.00 0.00 44.72 45.38 1h4d s GLY 9 CO 0.12 0.74 0.06 0.14 0.00 0.00 0.00 173.10 174.15 1h4d s VAL 10 N -1.85 -0.10 -0.22 1.40 1.01 0.65 -1.04 120.40 120.25 1h4d s VAL 10 Ca 0.54 0.37 -0.18 0.00 0.00 0.00 0.00 61.98 62.72 1h4d s VAL 10 Cb -0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 1h4d s VAL 10 CO 0.19 0.16 0.50 -0.69 0.00 0.00 0.00 175.10 175.25 1h4d s VAL 11 N 1.89 5.11 -0.56 2.92 1.01 -0.32 -1.26 120.40 129.18 1h4d s VAL 11 Ca 0.01 0.89 -0.19 0.00 0.00 0.00 0.00 61.98 62.69 1h4d s VAL 11 Cb -0.12 -3.82 0.08 0.00 0.00 0.00 0.00 36.38 32.52 1h4d s VAL 11 CO -0.03 0.15 0.69 -0.76 0.00 0.00 0.00 175.10 175.15 1h4d s LEU 12 N 1.84 5.17 -0.02 3.92 1.43 0.08 -0.37 118.68 130.74 1h4d s LEU 12 Ca 0.22 -1.21 0.16 0.00 -1.03 0.00 0.00 54.13 52.28 1h4d s LEU 12 Cb -0.15 -2.37 0.51 0.00 0.03 0.00 0.00 46.19 44.21 1h4d s LEU 12 CO 0.09 -1.05 1.42 0.00 0.23 0.00 0.00 176.35 177.04 1h4d n ALA 13 N 6.35 2.56 0.00 4.21 0.00 0.29 -1.40 120.51 132.52 1h4d n ALA 13 Ca -0.08 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.32 1h4d n ALA 13 Cb 0.44 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1h4d n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h4d n GLY 14 N 1.27 2.40 0.85 0.00 0.00 -1.26 -4.74 105.19 103.72 1h4d n GLY 14 Ca 0.19 -1.92 -0.05 0.00 0.00 0.00 0.00 46.02 44.25 1h4d n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h4d n GLY 15 N 1.45 1.44 7.00 -0.02 0.00 -1.26 -3.95 105.19 109.84 1h4d n GLY 15 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1h4d n GLY 15 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1h4d n LYS 16 N -1.33 0.00 0.00 1.61 2.85 -1.26 -4.84 118.16 115.19 1h4d n LYS 16 Ca 0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 1h4d n LYS 16 Cb 0.13 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.51 1h4d n LYS 16 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1h4d n ALA 17 N 5.21 0.00 0.00 0.58 0.00 -1.26 -4.65 120.51 120.39 1h4d n ALA 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1h4d n ALA 17 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1h4d n ALA 17 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1h4d n ARG 18 N 0.00 0.00 -0.18 0.00 3.00 -1.26 -1.80 116.66 116.42 1h4d n ARG 18 Ca 0.00 0.18 0.11 0.00 -0.00 0.00 0.00 57.85 58.15 1h4d n ARG 18 Cb 0.00 -1.50 0.26 0.00 0.00 0.00 0.00 32.46 31.22 1h4d n ARG 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1h4d n ARG 19 N -1.18 2.31 -1.64 -0.14 3.00 -1.26 -4.95 116.66 112.81 1h4d n ARG 19 Ca 0.00 -1.99 -0.48 0.00 -0.01 0.00 0.00 57.85 55.37 1h4d n ARG 19 Cb 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 32.46 30.94 1h4d n ARG 19 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1h4d n MET 20 N 1.19 1.72 -0.85 5.56 2.81 -0.75 -1.02 117.12 125.78 1h4d n MET 20 Ca 0.19 0.62 0.00 0.00 -1.81 0.00 0.00 57.70 56.69 1h4d n MET 20 Cb 0.53 -2.30 0.00 0.00 -0.71 0.00 0.00 33.22 30.74 1h4d n MET 20 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1h4d n GLY 21 N 2.81 0.86 4.01 3.03 0.00 -1.26 -5.06 105.19 109.58 1h4d n GLY 21 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 1h4d n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h4d s LEU 22 N 0.00 3.45 0.39 0.99 1.43 -0.19 -5.07 118.68 119.69 1h4d s LEU 22 Ca 0.00 -0.59 -0.26 0.00 -1.03 0.00 0.00 54.13 52.25 1h4d s LEU 22 Cb 0.00 -2.27 -0.11 0.00 0.03 0.00 0.00 46.19 43.84 1h4d s LEU 22 CO 0.00 -0.94 1.18 0.52 0.23 0.00 0.00 176.35 177.34 1h4d n VAL 23 N -1.95 2.37 -3.48 -1.59 0.31 -1.26 -4.96 118.33 107.77 1h4d n VAL 23 Ca 0.10 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.50 1h4d n VAL 23 Cb 0.60 -1.40 -0.08 0.00 -0.91 0.00 0.00 33.84 32.05 1h4d n VAL 23 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1h4d s ASP 24 N -0.55 5.88 0.25 4.52 -1.08 -1.26 -4.97 116.67 119.46 1h4d s ASP 24 Ca 0.60 -1.71 -0.02 0.00 -0.52 0.00 0.00 52.55 50.90 1h4d s ASP 24 Cb -0.55 -2.08 0.29 0.00 -1.46 0.00 0.00 42.92 39.12 1h4d s ASP 24 CO 0.59 -0.70 1.71 0.50 0.52 0.00 0.00 175.17 177.79 1h4d h LYS 25 N 8.60 0.77 0.00 4.34 3.64 -1.92 -2.16 116.57 129.83 1h4d h LYS 25 Ca -0.25 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1h4d h LYS 25 Cb 1.09 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1h4d h LYS 25 CO 0.89 0.83 -0.08 0.78 -2.27 0.00 0.00 179.45 179.61 1h4d h GLY 26 N 0.97 0.00 -0.41 5.01 0.00 -1.87 -2.23 103.07 104.55 1h4d h GLY 26 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1h4d h GLY 26 CO 0.03 0.00 -0.23 1.04 0.00 0.00 0.00 176.54 177.39 1h4d n LEU 27 N -3.61 1.55 -4.78 3.11 4.77 -0.82 -1.14 117.00 116.08 1h4d n LEU 27 Ca -0.02 -0.50 -0.41 0.00 -0.03 0.00 0.00 56.01 55.05 1h4d n LEU 27 Cb 0.19 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1h4d n LEU 27 CO 0.28 0.28 1.15 -0.76 -1.33 0.00 0.00 177.39 177.01 1h4d s LEU 28 N -2.34 4.32 -0.17 2.23 1.43 -0.84 -4.68 118.68 118.64 1h4d s LEU 28 Ca 0.26 3.05 -0.08 0.00 -1.03 0.00 0.00 54.13 56.33 1h4d s LEU 28 Cb 0.19 -3.67 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 1h4d s LEU 28 CO 0.47 -0.88 0.11 -1.61 0.23 0.00 0.00 176.35 174.67 1h4d s GLU 29 N -1.95 3.85 -0.20 1.70 2.02 -1.26 -0.25 118.70 122.62 1h4d s GLU 29 Ca 0.54 -0.22 -0.00 0.00 0.02 0.00 0.00 54.97 55.30 1h4d s GLU 29 Cb -0.47 -3.28 0.02 0.00 0.10 0.00 0.00 34.13 30.50 1h4d s GLU 29 CO 0.62 0.47 -0.15 -1.17 0.02 0.00 0.00 175.26 175.05 1h4d s LEU 30 N -0.14 2.46 -1.54 1.80 2.96 0.12 -4.61 118.68 119.72 1h4d s LEU 30 Ca 0.10 -0.66 -0.06 0.00 -0.22 0.00 0.00 54.13 53.29 1h4d s LEU 30 Cb -0.12 -1.55 0.05 0.00 0.50 0.00 0.00 46.19 45.07 1h4d s LEU 30 CO 0.00 -0.03 0.41 0.59 -1.32 0.00 0.00 176.35 176.01 1h4d n ASN 31 N 4.65 -0.76 0.00 3.68 3.02 -1.26 -1.71 115.26 122.88 1h4d n ASN 31 Ca -0.20 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.27 1h4d n ASN 31 Cb 0.49 -2.54 0.00 0.00 -0.61 0.00 0.00 39.78 37.12 1h4d n ASN 31 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h4d n GLY 32 N -1.95 1.89 3.20 7.41 0.00 -1.26 -5.02 105.19 109.46 1h4d n GLY 32 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 1h4d n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1h4d s LYS 33 N -0.21 2.91 0.28 1.61 2.20 -0.69 -5.01 119.74 120.83 1h4d s LYS 33 Ca 0.00 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 54.48 1h4d s LYS 33 Cb 0.00 -2.21 -0.13 0.00 -1.51 0.00 0.00 37.83 33.97 1h4d s LYS 33 CO 0.00 0.17 1.25 -2.30 -0.36 0.00 0.00 175.35 174.12 1h4d n PRO 34 N 3.53 1.85 -0.26 4.03 -0.02 -1.26 -0.70 135.00 142.17 1h4d n PRO 34 Ca -0.19 0.65 0.07 0.00 -2.02 0.00 0.00 63.50 62.01 1h4d n PRO 34 Cb 0.53 -2.20 0.19 0.00 -0.02 0.00 0.00 33.50 32.00 1h4d n PRO 34 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1h4d h LEU 35 N 3.02 -0.12 -1.71 2.45 3.38 -0.48 -0.62 115.31 121.23 1h4d h LEU 35 Ca -0.44 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1h4d h LEU 35 Cb 1.30 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 1h4d h LEU 35 CO 0.67 -0.11 -0.16 4.11 0.09 0.00 0.00 178.44 183.04 1h4d h TRP 36 N 0.19 0.00 0.00 1.13 5.08 -1.14 -1.59 115.95 119.63 1h4d h TRP 36 Ca 0.44 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 60.26 1h4d h TRP 36 Cb 0.79 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.93 1h4d h TRP 36 CO -0.32 0.16 -0.70 0.37 -1.28 0.00 0.00 178.44 176.66 1h4d h GLN 37 N 0.00 0.00 -0.72 0.12 5.75 -1.38 0.10 115.11 118.98 1h4d h GLN 37 Ca -0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1h4d h GLN 37 Cb 0.28 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 1h4d h GLN 37 CO 0.02 0.70 0.39 0.45 -2.65 0.00 0.00 178.83 177.74 1h4d h HIS 38 N 0.00 1.00 -0.18 3.99 3.86 -0.65 0.22 115.15 123.39 1h4d h HIS 38 Ca -0.01 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.13 1h4d h HIS 38 Cb 1.30 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 29.45 1h4d h HIS 38 CO 0.00 0.71 -0.06 0.28 0.86 0.00 0.00 177.93 179.73 1h4d h VAL 39 N 1.00 1.29 -0.92 2.45 2.07 -1.10 -1.89 116.25 119.16 1h4d h VAL 39 Ca 0.25 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.73 1h4d h VAL 39 Cb 0.05 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1h4d h VAL 39 CO -0.04 0.31 0.61 0.00 0.02 0.00 0.00 177.57 178.47 1h4d h ALA 40 N 0.71 1.17 -0.41 1.67 0.00 -0.78 0.07 119.26 121.69 1h4d h ALA 40 Ca 0.04 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1h4d h ALA 40 Cb 0.51 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1h4d h ALA 40 CO 0.02 0.57 -0.16 -0.44 0.00 0.00 0.00 179.25 179.25 1h4d h ASP 41 N 1.25 0.76 0.10 0.00 3.32 -0.49 -0.01 116.42 121.35 1h4d h ASP 41 Ca 0.34 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 1h4d h ASP 41 Cb -0.14 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 1h4d h ASP 41 CO -0.07 0.92 -0.38 0.00 -1.72 0.00 0.00 179.24 177.99 1h4d h ALA 42 N 1.14 1.02 -0.22 3.45 0.00 -0.75 -1.69 119.26 122.22 1h4d h ALA 42 Ca 0.11 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 1h4d h ALA 42 Cb 0.64 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1h4d h ALA 42 CO 0.05 0.60 -0.59 -0.07 0.00 0.00 0.00 179.25 179.23 1h4d h LEU 43 N 0.32 0.80 -1.43 0.00 3.38 -0.64 -3.10 115.31 114.65 1h4d h LEU 43 Ca 0.03 -0.45 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 1h4d h LEU 43 Cb 0.82 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1h4d h LEU 43 CO 0.07 1.21 -0.27 0.24 0.09 0.00 0.00 178.44 179.78 1h4d h MET 44 N 0.53 0.00 -0.91 1.13 2.86 -0.69 0.10 114.93 117.95 1h4d h MET 44 Ca -0.00 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 57.82 1h4d h MET 44 Cb 1.18 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.77 1h4d h MET 44 CO 0.12 0.27 0.59 1.15 1.06 0.00 0.00 176.91 180.10 1h4d h THR 45 N 0.00 0.73 0.00 2.22 2.02 -1.23 -3.26 112.91 113.39 1h4d h THR 45 Ca -0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1h4d h THR 45 Cb 0.57 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1h4d h THR 45 CO 0.04 0.10 -0.79 0.00 0.37 0.00 0.00 175.52 175.24 1h4d n GLN 46 N -4.56 2.53 -3.89 6.66 10.64 -0.53 -5.00 117.38 123.22 1h4d n GLN 46 Ca 0.19 -0.03 -0.11 0.00 -1.83 0.00 0.00 57.00 55.22 1h4d n GLN 46 Cb 0.61 -1.09 -0.13 0.00 -0.86 0.00 0.00 30.24 28.76 1h4d n GLN 46 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1h4d s LEU 47 N -2.86 2.01 0.19 2.61 1.43 0.24 -5.02 118.68 117.28 1h4d s LEU 47 Ca 0.02 -0.09 0.07 0.00 -1.03 0.00 0.00 54.13 53.10 1h4d s LEU 47 Cb 0.08 0.06 0.05 0.00 0.03 0.00 0.00 46.19 46.41 1h4d s LEU 47 CO 0.47 -0.07 1.42 0.28 0.23 0.00 0.00 176.35 178.68 1h4d h SER 48 N 5.80 0.08 -3.44 2.29 0.02 -1.86 -3.37 113.55 113.08 1h4d h SER 48 Ca -0.26 -0.07 -0.66 0.00 -0.84 0.00 0.00 61.79 59.97 1h4d h SER 48 Cb 1.21 -0.03 -0.36 0.00 0.14 0.00 0.00 62.40 63.36 1h4d h SER 48 CO 0.48 0.87 -0.83 -2.28 -1.14 0.00 0.00 176.83 173.94 1h4d s HIS 49 N -3.18 2.87 -0.01 3.45 5.65 -1.26 -5.04 115.29 117.76 1h4d s HIS 49 Ca -0.01 -1.88 0.02 0.00 0.25 0.00 0.00 55.06 53.44 1h4d s HIS 49 Cb 0.11 -1.86 0.00 0.00 -1.18 0.00 0.00 32.58 29.65 1h4d s HIS 49 CO 0.80 -0.82 -0.06 0.08 -0.65 0.00 0.00 174.74 174.09 1h4d s VAL 50 N 1.25 0.54 0.29 0.89 1.01 -1.26 -0.68 120.40 122.43 1h4d s VAL 50 Ca -0.02 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1h4d s VAL 50 Cb -0.16 -0.48 -0.06 0.00 0.00 0.00 0.00 36.38 35.68 1h4d s VAL 50 CO -0.09 0.17 0.08 0.68 0.00 0.00 0.00 175.10 175.94 1h4d s VAL 51 N 0.09 0.85 -0.03 2.92 -7.23 -0.20 -4.50 120.40 112.30 1h4d s VAL 51 Ca -0.01 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.19 1h4d s VAL 51 Cb -0.06 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.18 1h4d s VAL 51 CO -0.00 0.00 -0.10 0.54 -0.31 0.00 0.00 175.10 175.23 1h4d s VAL 52 N -3.54 0.89 -0.37 1.32 0.11 -0.56 -1.18 120.40 117.07 1h4d s VAL 52 Ca 0.37 -0.41 -0.17 0.00 -2.93 0.00 0.00 61.98 58.84 1h4d s VAL 52 Cb 0.08 -0.79 0.00 0.00 -1.53 0.00 0.00 36.38 34.14 1h4d s VAL 52 CO 0.15 0.28 0.46 0.21 -3.33 0.00 0.00 175.10 172.87 1h4d s ASN 53 N 0.23 6.25 -0.00 3.54 3.04 0.51 -0.01 114.94 128.49 1h4d s ASN 53 Ca -0.04 -0.28 -0.01 0.00 0.04 0.00 0.00 52.86 52.56 1h4d s ASN 53 Cb -0.10 -2.24 -0.00 0.00 -1.54 0.00 0.00 41.25 37.37 1h4d s ASN 53 CO 0.01 -0.50 0.03 0.00 -3.04 0.00 0.00 177.10 173.60 1h4d s ALA 54 N 2.26 -0.05 0.00 1.71 0.00 -0.71 -0.55 121.76 124.42 1h4d s ALA 54 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1h4d s ALA 54 Cb -0.16 0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1h4d s ALA 54 CO 0.13 -0.08 0.48 0.09 0.00 0.00 0.00 175.76 176.39 1h4d n ASN 55 N 2.49 0.87 -4.05 0.00 3.02 -1.25 -4.14 115.26 112.20 1h4d n ASN 55 Ca -0.17 -1.19 -0.10 0.00 -0.03 0.00 0.00 54.58 53.10 1h4d n ASN 55 Cb 0.58 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.64 1h4d n ASN 55 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1h4d s ARG 56 N -0.19 0.50 -1.44 3.52 0.52 -1.26 -4.83 118.95 115.77 1h4d s ARG 56 Ca 0.00 -0.90 -0.11 0.00 -0.52 0.00 0.00 55.73 54.20 1h4d s ARG 56 Cb 0.00 0.01 0.08 0.00 0.52 0.00 0.00 34.95 35.55 1h4d s ARG 56 CO 0.00 -0.04 0.70 0.72 0.02 0.00 0.00 175.30 176.70 1h4d n HIS 57 N 0.96 -1.98 -0.23 -0.53 8.25 -1.26 -4.83 115.22 115.60 1h4d n HIS 57 Ca -0.20 0.65 0.03 0.00 -0.26 0.00 0.00 57.72 57.95 1h4d n HIS 57 Cb 0.57 -3.49 0.15 0.00 1.12 0.00 0.00 29.99 28.34 1h4d n HIS 57 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1h4d h GLN 58 N -1.45 0.41 -0.95 -0.41 7.50 -1.91 0.22 115.11 118.51 1h4d h GLN 58 Ca -0.51 -0.02 0.15 0.00 0.50 0.00 0.00 58.65 58.77 1h4d h GLN 58 Cb 1.34 -0.09 -0.08 0.00 0.05 0.00 0.00 27.48 28.69 1h4d h GLN 58 CO 0.61 0.27 0.60 0.93 -1.50 0.00 0.00 178.83 179.74 1h4d h GLU 59 N 0.42 0.76 -0.03 1.46 5.08 -1.98 0.31 114.58 120.60 1h4d h GLU 59 Ca 0.37 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1h4d h GLU 59 Cb 0.51 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1h4d h GLU 59 CO -0.37 0.50 -0.03 0.82 -1.00 0.00 0.00 179.01 178.94 1h4d h ILE 60 N 0.79 1.36 -0.87 3.13 1.08 -1.34 -2.77 117.51 118.89 1h4d h ILE 60 Ca 0.49 -1.13 0.10 0.00 -0.39 0.00 0.00 64.86 63.93 1h4d h ILE 60 Cb 0.72 2.05 -0.06 0.00 -3.07 0.00 0.00 36.82 36.46 1h4d h ILE 60 CO -0.26 0.30 0.57 1.88 -0.69 0.00 0.00 178.15 179.95 1h4d h TYR 61 N -0.36 0.93 0.00 1.37 -1.99 -0.68 -1.74 116.97 114.49 1h4d h TYR 61 Ca 0.01 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1h4d h TYR 61 Cb 0.50 -0.30 0.00 0.00 2.00 0.00 0.00 36.73 38.93 1h4d h TYR 61 CO 0.09 0.43 0.00 1.96 -0.00 0.00 0.00 178.16 180.63 1h4d h GLN 62 N 0.86 0.00 0.00 4.88 4.20 -0.28 -3.28 115.11 121.49 1h4d h GLN 62 Ca 0.40 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.11 1h4d h GLN 62 Cb 0.41 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1h4d h GLN 62 CO -0.17 0.00 -0.01 0.00 -0.67 0.00 0.00 178.83 177.98 1h4d h ALA 63 N 2.10 1.01 -0.19 3.87 0.00 -1.03 -1.31 119.26 123.71 1h4d h ALA 63 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h4d h ALA 63 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1h4d h ALA 63 CO 0.00 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 1h4d n SER 64 N -3.11 1.58 0.00 0.00 3.41 -1.24 -4.92 113.62 109.34 1h4d n SER 64 Ca -0.01 -1.76 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 1h4d n SER 64 Cb 0.23 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1h4d n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h4d n GLY 65 N 1.08 0.76 3.87 5.00 0.00 -0.49 -5.06 105.19 110.36 1h4d n GLY 65 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1h4d n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h4d s LEU 66 N 0.00 3.97 0.18 0.99 1.43 -1.26 -5.04 118.68 118.95 1h4d s LEU 66 Ca 0.00 1.05 -0.32 0.00 -1.03 0.00 0.00 54.13 53.83 1h4d s LEU 66 Cb 0.00 -3.89 -0.11 0.00 0.03 0.00 0.00 46.19 42.23 1h4d s LEU 66 CO 0.00 -0.27 1.63 -0.75 0.23 0.00 0.00 176.35 177.19 1h4d s LYS 67 N -3.46 4.18 -0.22 1.70 2.20 -1.26 -4.74 119.74 118.14 1h4d s LYS 67 Ca 0.50 2.46 -0.08 0.00 -0.36 0.00 0.00 55.97 58.49 1h4d s LYS 67 Cb -0.10 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.04 1h4d s LYS 67 CO 0.27 -0.67 0.09 0.08 -0.36 0.00 0.00 175.35 174.76 1h4d s VAL 68 N 1.20 4.81 -0.17 4.02 1.01 -1.26 -1.50 120.40 128.50 1h4d s VAL 68 Ca 0.72 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.67 1h4d s VAL 68 Cb -0.46 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1h4d s VAL 68 CO 0.32 0.39 -0.10 -0.63 0.00 0.00 0.00 175.10 175.07 1h4d s ILE 69 N 0.96 3.09 0.04 2.22 1.01 0.98 -4.95 121.20 124.55 1h4d s ILE 69 Ca 0.05 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 60.08 1h4d s ILE 69 Cb -0.14 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 1h4d s ILE 69 CO 0.03 0.48 0.19 -1.61 0.00 0.00 0.00 174.94 174.03 1h4d s GLU 70 N 0.93 3.38 0.60 2.79 2.02 -1.26 -1.74 118.70 125.43 1h4d s GLU 70 Ca -0.02 -0.43 -0.19 0.00 0.02 0.00 0.00 54.97 54.35 1h4d s GLU 70 Cb -0.15 -3.02 -0.03 0.00 0.10 0.00 0.00 34.13 31.03 1h4d s GLU 70 CO -0.00 0.62 1.24 -0.51 0.02 0.00 0.00 175.26 176.63 1h4d s ASP 71 N -2.33 5.05 0.80 -0.19 1.11 -1.26 -4.90 116.67 114.95 1h4d s ASP 71 Ca 0.32 2.48 -0.13 0.00 0.18 0.00 0.00 52.55 55.40 1h4d s ASP 71 Cb -0.13 -2.61 0.08 0.00 1.07 0.00 0.00 42.92 41.33 1h4d s ASP 71 CO 0.25 -1.69 1.16 -0.94 1.18 0.00 0.00 175.17 175.12 1h4d s SER 72 N -1.49 3.86 0.37 0.27 1.04 -1.26 -4.90 113.70 111.59 1h4d s SER 72 Ca 0.78 2.20 0.26 0.00 0.48 0.00 0.00 55.95 59.67 1h4d s SER 72 Cb -0.33 -2.57 1.34 0.00 0.10 0.00 0.00 66.02 64.56 1h4d s SER 72 CO 0.36 -2.48 1.79 0.25 0.98 0.00 0.00 173.24 174.14 1h4d h LEU 73 N -0.95 0.00 -1.97 2.42 6.46 -2.03 -2.31 115.31 116.93 1h4d h LEU 73 Ca -0.45 0.00 0.25 0.00 -0.12 0.00 0.00 57.88 57.56 1h4d h LEU 73 Cb 1.27 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.17 1h4d h LEU 73 CO 0.47 0.00 0.62 0.00 -0.62 0.00 0.00 178.44 178.92 1h4d h ALA 74 N 2.04 2.79 -5.88 1.25 0.00 -2.04 -3.46 119.26 113.96 1h4d h ALA 74 Ca 0.00 -0.03 -0.38 0.00 0.00 0.00 0.00 54.91 54.50 1h4d h ALA 74 Cb 0.08 0.06 0.11 0.00 0.00 0.00 0.00 17.79 18.04 1h4d h ALA 74 CO 0.00 -1.04 -0.78 -3.47 0.00 0.00 0.00 179.25 173.96 1h4d n ASP 75 N -4.29 -2.54 -4.79 0.00 2.03 -0.87 -4.96 116.55 101.13 1h4d n ASP 75 Ca 0.18 -0.69 -0.33 0.00 0.52 0.00 0.00 54.79 54.46 1h4d n ASP 75 Cb 0.92 -4.64 0.02 0.00 -0.72 0.00 0.00 41.12 36.70 1h4d n ASP 75 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1h4d s TYR 76 N -3.46 2.81 0.24 -0.67 2.02 -1.26 -5.01 117.35 112.03 1h4d s TYR 76 Ca 0.13 1.54 -0.25 0.00 -0.37 0.00 0.00 57.07 58.12 1h4d s TYR 76 Cb -0.06 -3.11 -0.09 0.00 -0.40 0.00 0.00 41.96 38.30 1h4d s TYR 76 CO 0.77 -1.36 0.84 -1.25 -1.57 0.00 0.00 175.55 172.98 1h4d s PRO 77 N -3.87 4.53 0.19 -1.71 0.04 -1.26 -4.73 135.00 128.19 1h4d s PRO 77 Ca 0.67 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1h4d s PRO 77 Cb -0.19 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1h4d s PRO 77 CO 0.35 0.42 0.00 0.41 0.04 0.00 0.00 177.00 178.23 1h4d n GLY 78 N 1.01 -2.32 0.27 0.56 0.00 -1.26 -3.99 105.19 99.46 1h4d n GLY 78 Ca -0.02 -1.55 0.06 0.00 0.00 0.00 0.00 46.02 44.51 1h4d n GLY 78 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1h4d h PRO 79 N 0.00 0.21 -0.23 1.61 0.11 -1.95 -2.36 132.00 129.38 1h4d h PRO 79 Ca 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1h4d h PRO 79 Cb 0.00 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 1h4d h PRO 79 CO 0.00 0.17 0.13 -0.07 -0.21 0.00 0.00 178.00 178.02 1h4d h LEU 80 N 0.21 0.28 -0.88 2.35 3.38 -1.86 -2.14 115.31 116.65 1h4d h LEU 80 Ca 0.06 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1h4d h LEU 80 Cb 0.03 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1h4d h LEU 80 CO -0.01 0.22 0.27 0.00 0.09 0.00 0.00 178.44 179.02 1h4d h ALA 81 N 1.82 1.10 -0.50 1.53 0.00 -1.55 -0.48 119.26 121.19 1h4d h ALA 81 Ca 0.08 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1h4d h ALA 81 Cb 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1h4d h ALA 81 CO -0.01 0.63 -0.15 0.78 0.00 0.00 0.00 179.25 180.50 1h4d h GLY 82 N 1.11 1.06 0.95 0.00 0.00 -1.51 -1.03 103.07 103.65 1h4d h GLY 82 Ca 0.24 -0.90 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1h4d h GLY 82 CO -0.02 0.82 0.14 -0.33 0.00 0.00 0.00 176.54 177.16 1h4d h MET 83 N 0.84 0.38 -0.54 4.80 2.07 -1.08 -1.10 114.93 120.30 1h4d h MET 83 Ca 0.12 -0.05 -0.05 0.00 -2.07 0.00 0.00 59.70 57.65 1h4d h MET 83 Cb 0.72 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 30.36 1h4d h MET 83 CO 0.06 0.34 0.13 1.25 1.07 0.00 0.00 176.91 179.76 1h4d h LEU 84 N 0.31 0.81 -0.97 1.22 5.85 -1.00 -1.34 115.31 120.19 1h4d h LEU 84 Ca 0.09 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1h4d h LEU 84 Cb 0.07 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 1h4d h LEU 84 CO -0.01 0.83 0.60 0.28 -0.34 0.00 0.00 178.44 179.80 1h4d h SER 85 N 0.75 1.15 -0.28 1.25 0.02 -0.88 -0.34 113.55 115.23 1h4d h SER 85 Ca 0.17 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1h4d h SER 85 Cb 0.34 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1h4d h SER 85 CO 0.00 0.86 0.11 0.58 -1.14 0.00 0.00 176.83 177.24 1h4d h VAL 86 N 1.33 1.18 -0.01 2.27 2.07 -1.05 -2.59 116.25 119.46 1h4d h VAL 86 Ca 0.35 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1h4d h VAL 86 Cb -0.09 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1h4d h VAL 86 CO -0.07 0.19 -0.06 0.24 0.02 0.00 0.00 177.57 177.89 1h4d h MET 87 N 0.31 0.01 0.00 1.57 2.07 -0.67 -0.67 114.93 117.55 1h4d h MET 87 Ca 0.09 -0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.72 1h4d h MET 87 Cb 0.20 -0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.92 1h4d h MET 87 CO -0.01 0.07 0.00 1.96 1.07 0.00 0.00 176.91 180.00 1h4d h GLN 88 N 0.01 0.00 -0.03 1.72 4.20 -0.87 -3.30 115.11 116.84 1h4d h GLN 88 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1h4d h GLN 88 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1h4d h GLN 88 CO 0.01 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.21 1h4d n GLN 89 N -2.69 0.33 -4.19 1.46 6.02 -0.60 -4.98 117.38 112.72 1h4d n GLN 89 Ca 0.03 -0.95 -0.16 0.00 -0.01 0.00 0.00 57.00 55.91 1h4d n GLN 89 Cb 0.39 -1.08 -0.14 0.00 1.02 0.00 0.00 30.24 30.43 1h4d n GLN 89 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1h4d s GLU 90 N -0.47 0.48 0.78 -1.09 0.41 -0.36 -5.05 118.70 113.40 1h4d s GLU 90 Ca 0.05 -0.22 -0.05 0.00 -0.41 0.00 0.00 54.97 54.34 1h4d s GLU 90 Cb 0.03 -0.46 0.14 0.00 -1.78 0.00 0.00 34.13 32.06 1h4d s GLU 90 CO 0.05 0.13 1.08 0.00 -0.49 0.00 0.00 175.26 176.03 1h4d s ALA 91 N -0.15 3.26 0.00 5.21 0.00 -1.26 -4.72 121.76 124.10 1h4d s ALA 91 Ca 0.02 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1h4d s ALA 91 Cb -0.02 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.83 1h4d s ALA 91 CO -0.00 -1.70 0.00 0.41 0.00 0.00 0.00 175.76 174.47 1h4d n GLY 92 N -3.09 2.31 0.11 0.00 0.00 -1.26 -4.89 105.19 98.37 1h4d n GLY 92 Ca 0.14 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.57 1h4d n GLY 92 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h4d h GLU 93 N 0.00 0.00 -5.04 1.61 5.08 -1.87 -3.44 114.58 110.92 1h4d h GLU 93 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.97 1h4d h GLU 93 Cb 0.00 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.01 1h4d h GLU 93 CO 0.00 0.22 -0.77 -1.58 -1.00 0.00 0.00 179.01 175.87 1h4d s TRP 94 N -3.07 1.02 0.00 4.33 0.52 -1.20 0.19 118.94 120.72 1h4d s TRP 94 Ca -0.01 -0.37 0.04 0.00 0.02 0.00 0.00 56.10 55.78 1h4d s TRP 94 Cb 0.09 -0.60 -0.01 0.00 -1.15 0.00 0.00 33.47 31.79 1h4d s TRP 94 CO 0.79 0.01 -0.13 -0.06 0.02 0.00 0.00 176.95 177.58 1h4d s PHE 95 N -0.94 1.13 -0.33 -1.98 0.40 -0.31 -0.75 117.98 115.20 1h4d s PHE 95 Ca -0.01 -0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 1h4d s PHE 95 Cb -0.08 -0.71 0.08 0.00 0.51 0.00 0.00 43.02 42.82 1h4d s PHE 95 CO 0.01 -0.01 0.04 -1.17 0.70 0.00 0.00 175.22 174.79 1h4d s LEU 96 N -0.48 4.38 0.33 -0.37 2.96 -0.10 -0.43 118.68 124.96 1h4d s LEU 96 Ca 0.04 -1.73 -0.15 0.00 -0.22 0.00 0.00 54.13 52.06 1h4d s LEU 96 Cb -0.05 -1.68 -0.09 0.00 0.50 0.00 0.00 46.19 44.86 1h4d s LEU 96 CO -0.00 -0.35 0.75 -0.36 -1.32 0.00 0.00 176.35 175.07 1h4d s PHE 97 N 1.09 3.38 -0.19 5.38 0.08 0.30 -0.25 117.98 127.77 1h4d s PHE 97 Ca 0.02 1.25 -0.14 0.00 0.12 0.00 0.00 56.93 58.18 1h4d s PHE 97 Cb -0.20 -2.56 0.06 0.00 -0.57 0.00 0.00 43.02 39.75 1h4d s PHE 97 CO -0.05 0.09 0.49 0.00 -0.10 0.00 0.00 175.22 175.65 1h4d s PRO 99 N 0.95 1.69 0.00 0.00 0.04 -1.26 -0.74 135.00 135.68 1h4d s PRO 99 Ca -0.06 1.09 0.29 0.00 0.04 0.00 0.00 61.00 62.37 1h4d s PRO 99 Cb -0.06 -1.84 1.72 0.00 0.04 0.00 0.00 34.50 34.36 1h4d s PRO 99 CO -0.08 -2.02 2.08 0.00 0.04 0.00 0.00 177.00 177.02 1h4d n ASP 101 N -1.04 3.63 -3.69 0.00 5.68 -1.26 -3.36 116.55 116.51 1h4d n ASP 101 Ca 0.21 -2.53 -0.27 0.00 -0.50 0.00 0.00 54.79 51.69 1h4d n ASP 101 Cb 0.12 -0.42 -0.11 0.00 -1.14 0.00 0.00 41.12 39.57 1h4d n ASP 101 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1h4d n THR 102 N 0.12 1.09 0.80 2.12 -2.24 -1.24 -0.98 114.28 113.95 1h4d n THR 102 Ca 0.18 -4.60 0.12 0.00 -2.27 0.00 0.00 64.05 57.47 1h4d n THR 102 Cb 0.71 -2.06 0.50 0.00 -2.10 0.00 0.00 70.33 67.38 1h4d n THR 102 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1h4d n PRO 103 N 1.92 0.02 -0.68 -0.78 -0.04 -1.26 -3.28 135.00 130.90 1h4d n PRO 103 Ca 0.24 0.10 0.08 0.00 -0.04 0.00 0.00 63.50 63.88 1h4d n PRO 103 Cb 0.39 -1.52 0.34 0.00 -0.04 0.00 0.00 33.50 32.68 1h4d n PRO 103 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1h4d n TYR 104 N -1.55 1.56 -1.69 0.54 4.01 -1.26 -4.60 117.16 114.18 1h4d n TYR 104 Ca 0.06 -0.73 -0.40 0.00 -0.16 0.00 0.00 57.90 56.66 1h4d n TYR 104 Cb 0.28 -0.38 0.03 0.00 -0.31 0.00 0.00 39.34 38.96 1h4d n TYR 104 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 1h4d n ILE 105 N 0.41 3.04 -2.43 -0.72 -5.35 -1.09 -4.60 119.36 108.63 1h4d n ILE 105 Ca 0.25 -0.50 -0.28 0.00 -0.27 0.00 0.00 62.75 61.94 1h4d n ILE 105 Cb 1.01 -1.48 0.00 0.00 -1.74 0.00 0.00 39.64 37.43 1h4d n ILE 105 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1h4d s PRO 106 N -2.44 3.56 0.00 6.28 0.04 -1.26 -4.93 135.00 136.25 1h4d s PRO 106 Ca 0.66 0.36 0.21 0.00 0.04 0.00 0.00 61.00 62.27 1h4d s PRO 106 Cb -0.48 -2.29 1.14 0.00 0.04 0.00 0.00 34.50 32.91 1h4d s PRO 106 CO 0.54 -0.30 1.65 -0.35 0.04 0.00 0.00 177.00 178.57 1h4d n PRO 107 N -2.37 0.46 -0.59 0.56 -0.04 -1.26 -2.14 135.00 129.62 1h4d n PRO 107 Ca 0.02 0.05 0.08 0.00 -0.04 0.00 0.00 63.50 63.61 1h4d n PRO 107 Cb 0.55 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.81 1h4d n PRO 107 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1h4d n ASP 108 N -1.15 4.48 0.24 3.54 5.75 -1.26 -4.71 116.55 123.44 1h4d n ASP 108 Ca 0.13 -2.94 -0.16 0.00 -0.01 0.00 0.00 54.79 51.81 1h4d n ASP 108 Cb 0.12 -0.58 -0.08 0.00 -1.03 0.00 0.00 41.12 39.55 1h4d n ASP 108 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1h4d h LEU 109 N 2.60 -0.92 -0.43 -2.12 5.85 -1.83 0.85 115.31 119.31 1h4d h LEU 109 Ca 0.00 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1h4d h LEU 109 Cb 1.59 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 42.91 1h4d h LEU 109 CO 0.30 -0.50 0.09 0.00 -0.34 0.00 0.00 178.44 177.99 1h4d h ALA 110 N -0.29 0.57 -0.57 1.25 0.00 -1.84 -1.88 119.26 116.50 1h4d h ALA 110 Ca -0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1h4d h ALA 110 Cb 0.66 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1h4d h ALA 110 CO -0.04 0.27 0.19 0.00 0.00 0.00 0.00 179.25 179.67 1h4d h ALA 111 N 0.95 0.74 -0.20 0.00 0.00 -1.82 -0.68 119.26 118.25 1h4d h ALA 111 Ca 0.13 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 1h4d h ALA 111 Cb 0.34 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1h4d h ALA 111 CO 0.00 0.40 -0.70 -0.09 0.00 0.00 0.00 179.25 178.87 1h4d h ARG 112 N 0.79 0.82 -0.66 0.00 2.43 -0.84 0.19 114.38 117.12 1h4d h ARG 112 Ca 0.18 -0.61 -0.01 0.00 -0.81 0.00 0.00 59.98 58.73 1h4d h ARG 112 Cb 0.27 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1h4d h ARG 112 CO -0.01 1.23 0.37 -0.07 -1.51 0.00 0.00 179.97 179.99 1h4d h LEU 113 N 0.59 0.82 -0.68 3.80 3.38 -1.24 -1.08 115.31 120.90 1h4d h LEU 113 Ca -0.03 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1h4d h LEU 113 Cb 1.32 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1h4d h LEU 113 CO 0.15 0.67 0.20 -1.13 0.09 0.00 0.00 178.44 178.41 1h4d h ASN 114 N 0.91 1.00 0.02 -0.43 -0.73 -1.01 -2.20 115.58 113.13 1h4d h ASN 114 Ca 0.23 -0.22 -0.07 0.00 1.87 0.00 0.00 56.30 58.12 1h4d h ASN 114 Cb 0.02 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.34 1h4d h ASN 114 CO -0.04 0.95 -0.18 -0.74 -0.37 0.00 0.00 177.43 177.05 1h4d h HIS 115 N 1.00 0.33 -0.21 0.67 2.76 -0.47 -2.89 115.15 116.34 1h4d h HIS 115 Ca 0.22 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 1h4d h HIS 115 Cb 0.32 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.19 1h4d h HIS 115 CO 0.02 0.48 0.00 1.04 -1.30 0.00 0.00 177.93 178.18 1h4d n GLN 116 N -4.20 2.06 0.06 5.26 1.13 -0.45 -4.41 117.38 116.82 1h4d n GLN 116 Ca -0.00 -1.58 -0.03 0.00 -1.94 0.00 0.00 57.00 53.45 1h4d n GLN 116 Cb 0.32 -1.45 0.22 0.00 0.11 0.00 0.00 30.24 29.44 1h4d n GLN 116 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1h4d h ARG 117 N 3.28 0.35 -6.69 -1.09 2.43 -1.17 -3.47 114.38 108.02 1h4d h ARG 117 Ca 0.00 -0.15 -0.54 0.00 -0.81 0.00 0.00 59.98 58.49 1h4d h ARG 117 Cb 0.72 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.20 1h4d h ARG 117 CO 0.00 0.64 -0.95 1.63 -1.51 0.00 0.00 179.97 179.79 1h4d n LYS 118 N -4.08 -1.61 -0.20 0.20 5.02 -1.26 -1.61 118.16 114.61 1h4d n LYS 118 Ca -0.01 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1h4d n LYS 118 Cb 0.44 -3.75 0.00 0.00 -0.02 0.00 0.00 35.03 31.70 1h4d n LYS 118 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1h4d n ASP 119 N -2.71 0.00 -4.79 4.39 9.92 -1.26 -5.02 116.55 117.08 1h4d n ASP 119 Ca -0.23 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 53.69 1h4d n ASP 119 Cb 0.64 -0.32 -0.03 0.00 -0.64 0.00 0.00 41.12 40.77 1h4d n ASP 119 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1h4d s ALA 120 N -2.81 2.86 -0.88 2.24 0.00 -0.64 -4.97 121.76 117.56 1h4d s ALA 120 Ca 0.00 0.68 0.28 0.00 0.00 0.00 0.00 51.96 52.91 1h4d s ALA 120 Cb 0.00 -3.28 1.02 0.00 0.00 0.00 0.00 23.12 20.85 1h4d s ALA 120 CO 0.00 -0.41 1.83 -0.35 0.00 0.00 0.00 175.76 176.83 1h4d n PRO 121 N -0.93 0.11 -3.77 0.00 -0.04 -1.26 -4.84 135.00 124.28 1h4d n PRO 121 Ca 0.09 0.09 -0.13 0.00 -0.04 0.00 0.00 63.50 63.51 1h4d n PRO 121 Cb 0.52 -1.63 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 1h4d n PRO 121 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1h4d s VAL 122 N -3.05 0.01 0.04 0.52 1.01 -1.26 -0.71 120.40 116.96 1h4d s VAL 122 Ca 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 1h4d s VAL 122 Cb 0.16 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 1h4d s VAL 122 CO 0.57 -0.05 -0.03 0.68 0.00 0.00 0.00 175.10 176.27 1h4d s VAL 123 N -0.08 0.17 0.18 2.92 -7.23 -0.80 -2.77 120.40 112.79 1h4d s VAL 123 Ca -0.02 -1.42 -0.03 0.00 -1.81 0.00 0.00 61.98 58.70 1h4d s VAL 123 Cb -0.03 -0.97 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 1h4d s VAL 123 CO 0.01 -0.78 0.15 -1.66 -0.31 0.00 0.00 175.10 172.51 1h4d s TRP 124 N -2.85 0.96 0.04 2.82 -2.14 -1.03 -0.83 118.94 115.92 1h4d s TRP 124 Ca -0.03 -1.24 -0.29 0.00 2.66 0.00 0.00 56.10 57.20 1h4d s TRP 124 Cb 0.00 -0.44 -0.04 0.00 -3.10 0.00 0.00 33.47 29.89 1h4d s TRP 124 CO -0.06 -0.64 0.94 0.08 -2.66 0.00 0.00 176.95 174.60 1h4d s VAL 125 N -4.10 4.73 -0.10 -0.66 1.01 -0.79 0.08 120.40 120.57 1h4d s VAL 125 Ca 0.32 1.99 0.01 0.00 0.00 0.00 0.00 61.98 64.31 1h4d s VAL 125 Cb 0.06 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 1h4d s VAL 125 CO 0.08 0.24 -0.14 -2.28 0.00 0.00 0.00 175.10 173.00 1h4d s HIS 126 N 0.53 2.76 -1.99 5.22 2.46 -0.18 0.60 115.29 124.68 1h4d s HIS 126 Ca 0.48 -0.49 0.21 0.00 0.47 0.00 0.00 55.06 55.73 1h4d s HIS 126 Cb -0.22 -1.76 0.52 0.00 -0.13 0.00 0.00 32.58 30.99 1h4d s HIS 126 CO 0.28 -0.08 1.44 -0.40 -2.47 0.00 0.00 174.74 173.51 1h4d n ASP 127 N 3.11 3.64 0.00 9.88 5.68 -0.47 -0.19 116.55 138.19 1h4d n ASP 127 Ca -0.18 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.13 1h4d n ASP 127 Cb 0.53 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1h4d n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h4d n GLY 128 N 1.45 2.40 0.13 6.12 0.00 -1.26 -4.01 105.19 110.01 1h4d n GLY 128 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1h4d n GLY 128 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1h4d n GLU 129 N -0.16 0.44 -3.75 1.61 0.00 -1.26 -5.07 120.64 112.47 1h4d n GLU 129 Ca 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 57.16 57.17 1h4d n GLU 129 Cb 0.00 -1.34 -0.06 0.00 0.00 0.00 0.00 31.44 30.04 1h4d n GLU 129 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 1h4d s ARG 130 N -2.36 0.94 0.43 5.31 1.70 -1.26 -5.15 118.95 118.56 1h4d s ARG 130 Ca -0.25 -0.79 -0.23 0.00 -0.47 0.00 0.00 55.73 54.00 1h4d s ARG 130 Cb 0.07 0.40 -0.09 0.00 -0.57 0.00 0.00 34.95 34.76 1h4d s ARG 130 CO 0.41 -0.33 1.07 -0.51 -1.08 0.00 0.00 175.30 174.85 1h4d s ASP 131 N -2.73 6.53 -0.66 -2.89 1.01 -1.26 -1.37 116.67 115.30 1h4d s ASP 131 Ca 0.03 2.05 0.05 0.00 0.71 0.00 0.00 52.55 55.39 1h4d s ASP 131 Cb 0.03 -2.58 0.20 0.00 1.01 0.00 0.00 42.92 41.58 1h4d s ASP 131 CO -0.10 -0.65 0.57 1.41 0.21 0.00 0.00 175.17 176.61 1h4d n HIS 132 N -0.40 3.02 0.59 4.23 8.25 0.20 -4.96 115.22 126.14 1h4d n HIS 132 Ca 0.07 -4.18 0.08 0.00 -0.26 0.00 0.00 57.72 53.42 1h4d n HIS 132 Cb 0.50 -0.54 0.35 0.00 1.12 0.00 0.00 29.99 31.42 1h4d n HIS 132 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1h4d n PRO 133 N 1.62 0.05 0.00 -0.41 -0.04 -1.26 -1.44 135.00 133.52 1h4d n PRO 133 Ca 0.24 0.21 0.13 0.00 -0.04 0.00 0.00 63.50 64.04 1h4d n PRO 133 Cb 0.38 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.80 1h4d n PRO 133 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1h4d n THR 134 N -1.46 0.00 -3.37 0.52 -2.24 -1.26 -4.49 114.28 101.98 1h4d n THR 134 Ca 0.05 -0.19 -0.46 0.00 -2.27 0.00 0.00 64.05 61.19 1h4d n THR 134 Cb 0.17 0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 68.80 1h4d n THR 134 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1h4d s ILE 135 N -2.26 5.30 -0.08 2.28 1.01 -0.52 -3.51 121.20 123.41 1h4d s ILE 135 Ca 0.31 -2.32 -0.07 0.00 0.00 0.00 0.00 60.65 58.57 1h4d s ILE 135 Cb 0.20 -4.31 0.03 0.00 0.01 0.00 0.00 42.46 38.38 1h4d s ILE 135 CO 0.43 -0.98 0.22 0.00 0.00 0.00 0.00 174.94 174.61 1h4d s ALA 136 N 0.44 -0.52 -0.26 9.38 0.00 -0.89 -1.89 121.76 128.03 1h4d s ALA 136 Ca 0.15 0.67 -0.10 0.00 0.00 0.00 0.00 51.96 52.68 1h4d s ALA 136 Cb -0.15 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.52 1h4d s ALA 136 CO -0.06 -0.12 0.16 -1.17 0.00 0.00 0.00 175.76 174.57 1h4d s LEU 137 N 0.35 3.93 -0.06 0.00 2.96 -0.01 -0.54 118.68 125.30 1h4d s LEU 137 Ca -0.02 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1h4d s LEU 137 Cb -0.03 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.60 1h4d s LEU 137 CO -0.01 -0.02 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.20 1h4d s VAL 138 N 1.55 1.01 0.35 1.68 1.01 0.42 -1.91 120.40 124.52 1h4d s VAL 138 Ca 0.07 -0.41 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 1h4d s VAL 138 Cb -0.15 -0.94 -0.10 0.00 0.00 0.00 0.00 36.38 35.18 1h4d s VAL 138 CO 0.08 0.33 0.90 0.21 0.00 0.00 0.00 175.10 176.62 1h4d s ASN 139 N 0.72 7.11 0.38 3.32 3.84 0.11 -1.16 114.94 129.27 1h4d s ASN 139 Ca -0.14 1.68 0.26 0.00 0.21 0.00 0.00 52.86 54.88 1h4d s ASN 139 Cb -0.15 -2.53 1.32 0.00 -0.55 0.00 0.00 41.25 39.34 1h4d s ASN 139 CO 0.03 -0.17 1.43 -1.14 -2.79 0.00 0.00 177.10 174.45 1h4d n ARG 140 N 0.06 -0.04 0.25 0.43 3.00 0.13 -1.11 116.66 119.37 1h4d n ARG 140 Ca 0.03 1.18 0.17 0.00 -0.00 0.00 0.00 57.85 59.23 1h4d n ARG 140 Cb 0.52 -2.25 0.84 0.00 0.00 0.00 0.00 32.46 31.56 1h4d n ARG 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1h4d h ALA 141 N 1.56 1.00 0.00 5.13 0.00 -1.93 -0.93 119.26 124.10 1h4d h ALA 141 Ca 0.79 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.65 1h4d h ALA 141 Cb 2.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 20.20 1h4d h ALA 141 CO -0.51 0.00 -0.25 0.82 0.00 0.00 0.00 179.25 179.31 1h4d h ILE 142 N 0.00 0.70 -0.14 0.00 1.08 -1.47 -3.37 117.51 114.30 1h4d h ILE 142 Ca 0.00 -1.07 0.05 0.00 -0.39 0.00 0.00 64.86 63.45 1h4d h ILE 142 Cb 0.13 1.68 -0.06 0.00 -3.07 0.00 0.00 36.82 35.50 1h4d h ILE 142 CO 0.00 0.24 -0.26 -0.08 -0.69 0.00 0.00 178.15 177.36 1h4d h GLU 143 N 0.00 -0.31 -0.37 2.37 4.81 -1.36 -0.37 114.58 119.34 1h4d h GLU 143 Ca -0.00 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1h4d h GLU 143 Cb 0.66 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 1h4d h GLU 143 CO 0.03 -0.21 0.14 -1.35 -0.73 0.00 0.00 179.01 176.90 1h4d h PRO 144 N -0.32 0.52 -0.36 0.92 0.11 -1.81 0.05 132.00 131.11 1h4d h PRO 144 Ca 0.10 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.08 1h4d h PRO 144 Cb 0.48 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1h4d h PRO 144 CO -0.33 0.44 -0.02 1.25 -0.21 0.00 0.00 178.00 179.13 1h4d h LEU 145 N 0.52 0.65 -0.75 2.35 5.85 -1.57 -1.57 115.31 120.79 1h4d h LEU 145 Ca 0.13 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1h4d h LEU 145 Cb 0.11 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1h4d h LEU 145 CO -0.01 0.82 0.42 0.25 -0.34 0.00 0.00 178.44 179.58 1h4d h LEU 146 N 0.46 0.93 -0.42 2.25 5.85 -0.76 0.10 115.31 123.73 1h4d h LEU 146 Ca 0.10 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1h4d h LEU 146 Cb 0.50 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1h4d h LEU 146 CO 0.02 0.75 0.06 0.25 -0.34 0.00 0.00 178.44 179.19 1h4d h LEU 147 N 1.04 0.67 -0.54 2.25 5.85 -0.89 -0.40 115.31 123.28 1h4d h LEU 147 Ca 0.27 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1h4d h LEU 147 Cb 0.02 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1h4d h LEU 147 CO -0.04 0.77 0.13 -0.08 -0.34 0.00 0.00 178.44 178.87 1h4d h GLU 148 N 0.55 0.88 -0.17 1.25 4.81 -1.00 0.44 114.58 121.33 1h4d h GLU 148 Ca 0.13 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1h4d h GLU 148 Cb 0.39 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1h4d h GLU 148 CO 0.01 0.83 0.08 -0.92 -0.73 0.00 0.00 179.01 178.28 1h4d h TYR 149 N 0.77 0.25 -0.37 0.92 3.20 -0.74 -1.29 116.97 119.71 1h4d h TYR 149 Ca 0.17 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.90 1h4d h TYR 149 Cb 0.35 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1h4d h TYR 149 CO 0.02 0.29 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.48 1h4d h LEU 150 N 0.14 0.83 -2.09 2.82 3.38 -0.96 -2.51 115.31 116.91 1h4d h LEU 150 Ca 0.06 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1h4d h LEU 150 Cb 0.14 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1h4d h LEU 150 CO -0.01 1.06 -0.07 1.56 0.09 0.00 0.00 178.44 181.07 1h4d h GLN 151 N 0.68 0.00 0.00 1.13 4.20 -0.82 0.25 115.11 120.55 1h4d h GLN 151 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1h4d h GLN 151 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1h4d h GLN 151 CO 0.07 0.07 0.00 0.00 -0.67 0.00 0.00 178.83 178.30 1h4d n ALA 152 N -2.36 2.11 -0.46 3.87 0.00 -0.49 -4.87 120.51 118.30 1h4d n ALA 152 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1h4d n ALA 152 Cb 0.16 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1h4d n ALA 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h4d n GLY 153 N 0.58 0.77 3.87 0.00 0.00 0.08 -5.07 105.19 105.42 1h4d n GLY 153 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1h4d n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h4d s GLU 154 N -0.54 3.60 0.00 1.61 0.41 -1.01 -5.02 118.70 117.76 1h4d s GLU 154 Ca 0.00 0.74 0.00 0.00 -0.41 0.00 0.00 54.97 55.30 1h4d s GLU 154 Cb 0.00 -2.09 0.00 0.00 -1.78 0.00 0.00 34.13 30.26 1h4d s GLU 154 CO 0.00 -0.56 0.00 2.89 -0.49 0.00 0.00 175.26 177.10 1h4d n ARG 155 N -2.73 4.81 -2.23 1.61 1.85 -1.26 -4.49 116.66 114.22 1h4d n ARG 155 Ca 0.06 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.49 1h4d n ARG 155 Cb 0.54 -0.43 -0.03 0.00 -1.05 0.00 0.00 32.46 31.50 1h4d n ARG 155 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1h4d s ARG 156 N -0.06 4.25 -0.04 2.89 0.52 -1.26 -4.78 118.95 120.48 1h4d s ARG 156 Ca 0.00 1.94 -0.19 0.00 -0.52 0.00 0.00 55.73 56.96 1h4d s ARG 156 Cb 0.00 -3.70 -0.12 0.00 0.52 0.00 0.00 34.95 31.65 1h4d s ARG 156 CO 0.00 -0.65 0.81 0.28 0.02 0.00 0.00 175.30 175.76 1h4d h VAL 157 N 5.17 0.43 -0.77 3.52 2.07 -1.99 -2.62 116.25 122.07 1h4d h VAL 157 Ca -0.36 -0.81 0.09 0.00 0.82 0.00 0.00 66.70 66.44 1h4d h VAL 157 Cb 1.16 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 1h4d h VAL 157 CO 0.93 0.10 0.43 0.24 0.02 0.00 0.00 177.57 179.29 1h4d h MET 158 N -0.99 0.72 -0.76 1.57 2.86 -1.94 -0.45 114.93 115.94 1h4d h MET 158 Ca -0.04 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.62 1h4d h MET 158 Cb 0.48 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 31.92 1h4d h MET 158 CO 0.07 0.47 0.44 0.28 1.06 0.00 0.00 176.91 179.24 1h4d h VAL 159 N 0.74 0.97 -0.15 -2.22 2.07 -1.97 -1.02 116.25 114.66 1h4d h VAL 159 Ca 0.37 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1h4d h VAL 159 Cb 0.32 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1h4d h VAL 159 CO -0.24 0.14 -0.03 0.15 0.02 0.00 0.00 177.57 177.61 1h4d h PHE 160 N 0.79 0.33 -0.91 1.57 3.57 -0.93 -0.03 116.94 121.33 1h4d h PHE 160 Ca 0.35 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.82 1h4d h PHE 160 Cb 0.23 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 1h4d h PHE 160 CO -0.06 0.57 0.60 0.52 -2.23 0.00 0.00 178.31 177.71 1h4d h MET 161 N -0.00 1.09 0.04 1.11 2.86 -0.68 0.78 114.93 120.13 1h4d h MET 161 Ca 0.04 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1h4d h MET 161 Cb 0.46 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1h4d h MET 161 CO 0.01 0.72 -0.02 0.00 1.06 0.00 0.00 176.91 178.69 1h4d h ARG 162 N 1.12 -0.05 -0.83 1.72 3.08 -0.95 -1.24 114.38 117.24 1h4d h ARG 162 Ca 0.37 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.58 1h4d h ARG 162 Cb 0.06 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 1h4d h ARG 162 CO -0.12 0.23 0.55 1.25 -1.07 0.00 0.00 179.97 180.81 1h4d h LEU 163 N -0.33 0.48 0.00 3.04 5.85 -0.56 -1.06 115.31 122.73 1h4d h LEU 163 Ca -0.01 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1h4d h LEU 163 Cb 0.30 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1h4d h LEU 163 CO 0.01 0.24 0.00 0.00 -0.34 0.00 0.00 178.44 178.34 1h4d n ALA 164 N -2.49 2.38 -0.90 1.25 0.00 0.23 -4.89 120.51 116.09 1h4d n ALA 164 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1h4d n ALA 164 Cb 0.54 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1h4d n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h4d n GLY 165 N 1.00 0.75 3.94 0.00 0.00 -0.40 -4.73 105.19 105.76 1h4d n GLY 165 Ca 0.14 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 1h4d n GLY 165 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h4d s GLY 166 N -2.64 1.71 0.06 -0.02 0.00 -0.48 -4.55 107.32 101.41 1h4d s GLY 166 Ca 0.00 -1.05 -0.07 0.00 0.00 0.00 0.00 44.72 43.60 1h4d s GLY 166 CO 0.00 -0.61 0.13 -2.38 0.00 0.00 0.00 173.10 170.24 1h4d s HIS 167 N -3.25 0.21 0.37 1.90 -3.43 -1.11 -4.77 115.29 105.20 1h4d s HIS 167 Ca 0.62 -0.59 -0.26 0.00 -0.80 0.00 0.00 55.06 54.03 1h4d s HIS 167 Cb -0.10 -0.13 -0.09 0.00 -1.43 0.00 0.00 32.58 30.83 1h4d s HIS 167 CO 0.45 -0.45 1.13 0.00 -2.00 0.00 0.00 174.74 173.87 1h4d s ALA 168 N -3.28 3.20 -0.16 -1.38 0.00 -1.26 -2.45 121.76 116.43 1h4d s ALA 168 Ca 0.01 0.90 -0.02 0.00 0.00 0.00 0.00 51.96 52.84 1h4d s ALA 168 Cb 0.03 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1h4d s ALA 168 CO -0.08 -0.38 -0.09 0.08 0.00 0.00 0.00 175.76 175.30 1h4d s VAL 169 N -1.41 3.34 -0.42 0.00 1.01 0.11 -4.88 120.40 118.16 1h4d s VAL 169 Ca 0.54 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 1h4d s VAL 169 Cb -0.29 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.66 1h4d s VAL 169 CO 0.37 0.49 1.17 -0.62 0.00 0.00 0.00 175.10 176.51 1h4d s ASP 170 N 0.60 6.68 -0.23 3.32 -1.08 -1.26 -1.01 116.67 123.68 1h4d s ASP 170 Ca -0.05 0.71 0.13 0.00 -0.52 0.00 0.00 52.55 52.82 1h4d s ASP 170 Cb -0.15 -2.55 0.49 0.00 -1.46 0.00 0.00 42.92 39.25 1h4d s ASP 170 CO 0.03 -1.17 1.41 0.49 0.52 0.00 0.00 175.17 176.45 1h4d n PHE 171 N 7.69 0.87 0.26 -5.34 3.01 0.73 -4.77 117.46 119.91 1h4d n PHE 171 Ca 0.13 -1.29 0.16 0.00 1.01 0.00 0.00 57.45 57.46 1h4d n PHE 171 Cb 0.48 -0.39 0.90 0.00 -0.01 0.00 0.00 39.48 40.46 1h4d n PHE 171 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1h4d h SER 172 N 1.15 0.00 0.00 4.37 4.64 -1.69 -0.62 113.55 121.39 1h4d h SER 172 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1h4d h SER 172 Cb 1.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 1h4d h SER 172 CO 0.27 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.33 1h4d n ASP 173 N -3.77 0.00 -4.23 4.97 5.75 -1.26 -4.43 116.55 113.57 1h4d n ASP 173 Ca -0.01 -1.34 -0.42 0.00 -0.01 0.00 0.00 54.79 53.01 1h4d n ASP 173 Cb 0.19 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.23 1h4d n ASP 173 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1h4d s HIS 174 N -2.00 3.72 -0.27 2.11 3.76 -0.24 -5.00 115.29 117.38 1h4d s HIS 174 Ca 0.32 -2.42 -0.31 0.00 -0.15 0.00 0.00 55.06 52.49 1h4d s HIS 174 Cb 0.14 -3.56 -0.08 0.00 1.11 0.00 0.00 32.58 30.19 1h4d s HIS 174 CO 0.24 -0.91 2.20 1.17 -0.85 0.00 0.00 174.74 176.59 1h4d n LYS 175 N 3.48 1.60 -0.98 1.40 3.00 -1.26 -2.91 118.16 122.50 1h4d n LYS 175 Ca 0.14 0.45 0.00 0.00 -0.00 0.00 0.00 58.31 58.90 1h4d n LYS 175 Cb 0.42 -2.89 0.00 0.00 0.00 0.00 0.00 35.03 32.57 1h4d n LYS 175 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1h4d n ASP 176 N 10.69 -3.86 0.24 3.14 8.00 -1.26 -4.83 116.55 128.68 1h4d n ASP 176 Ca 0.34 0.00 0.16 0.00 0.71 0.00 0.00 54.79 56.01 1h4d n ASP 176 Cb 0.35 -1.74 0.73 0.00 -0.02 0.00 0.00 41.12 40.44 1h4d n ASP 176 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h4d h ALA 177 N 0.00 1.00 -0.26 2.24 0.00 -1.78 -3.08 119.26 117.38 1h4d h ALA 177 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h4d h ALA 177 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1h4d h ALA 177 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 1h4d n PHE 178 N -2.76 0.47 -1.75 0.00 3.72 -1.26 -2.65 117.46 113.22 1h4d n PHE 178 Ca 0.00 -0.60 -0.40 0.00 -0.05 0.00 0.00 57.45 56.40 1h4d n PHE 178 Cb 0.21 -0.09 0.01 0.00 -0.94 0.00 0.00 39.48 38.66 1h4d n PHE 178 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1h4d n VAL 179 N 0.06 2.61 -4.33 -4.37 0.24 -1.17 -4.97 118.33 106.40 1h4d n VAL 179 Ca 0.12 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.34 61.64 1h4d n VAL 179 Cb 0.50 -1.79 -0.10 0.00 -1.47 0.00 0.00 33.84 30.98 1h4d n VAL 179 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1h4d s ASN 180 N -0.43 3.95 -0.50 -1.34 4.22 -1.26 -4.42 114.94 115.15 1h4d s ASN 180 Ca 0.60 -0.65 -0.21 0.00 -2.14 0.00 0.00 52.86 50.46 1h4d s ASN 180 Cb -0.47 -0.56 0.04 0.00 1.28 0.00 0.00 41.25 41.55 1h4d s ASN 180 CO 0.59 0.13 0.75 -0.69 -2.04 0.00 0.00 177.10 175.83 1h4d s VAL 181 N -1.55 4.68 0.06 3.54 1.01 -0.16 -4.93 120.40 123.07 1h4d s VAL 181 Ca 0.22 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 1h4d s VAL 181 Cb -0.09 -4.36 -0.30 0.00 0.00 0.00 0.00 36.38 31.62 1h4d s VAL 181 CO 0.12 -0.86 1.11 0.78 0.00 0.00 0.00 175.10 176.25 1h4d h ASN 182 N 9.08 0.57 -5.36 3.32 2.35 -1.95 -3.46 115.58 120.12 1h4d h ASN 182 Ca -0.26 -0.60 -0.16 0.00 -0.55 0.00 0.00 56.30 54.73 1h4d h ASN 182 Cb 1.09 -0.18 -0.15 0.00 0.05 0.00 0.00 38.32 39.13 1h4d h ASN 182 CO 0.99 1.46 -0.59 0.42 -1.65 0.00 0.00 177.43 178.07 1h4d s THR 183 N -2.68 0.12 0.31 2.81 -4.23 -1.26 -5.03 115.64 105.68 1h4d s THR 183 Ca -0.06 -1.77 0.02 0.00 -1.18 0.00 0.00 61.69 58.71 1h4d s THR 183 Cb 0.06 -1.89 0.29 0.00 1.34 0.00 0.00 72.50 72.30 1h4d s THR 183 CO 0.90 -0.53 1.88 -0.65 -0.54 0.00 0.00 174.62 175.68 1h4d h PRO 184 N 2.85 0.93 -0.61 3.99 0.11 -1.99 -1.41 132.00 135.86 1h4d h PRO 184 Ca -0.34 -0.06 0.12 0.00 0.11 0.00 0.00 66.00 65.83 1h4d h PRO 184 Cb 1.19 -0.21 -0.09 0.00 0.11 0.00 0.00 31.00 32.01 1h4d h PRO 184 CO 0.58 0.61 0.13 1.49 -0.21 0.00 0.00 178.00 180.61 1h4d h GLU 185 N 0.95 0.26 -0.36 1.05 4.81 -2.01 -1.22 114.58 118.06 1h4d h GLU 185 Ca 0.43 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.53 1h4d h GLU 185 Cb 0.38 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1h4d h GLU 185 CO -0.19 0.17 -0.23 1.49 -0.73 0.00 0.00 179.01 179.52 1h4d h GLU 186 N 0.26 0.80 -0.34 1.92 4.81 -1.81 -3.17 114.58 117.05 1h4d h GLU 186 Ca 0.32 -0.37 0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1h4d h GLU 186 Cb 0.48 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.79 1h4d h GLU 186 CO -0.41 1.00 -0.04 1.25 -0.73 0.00 0.00 179.01 180.08 1h4d h LEU 187 N 0.59 -0.22 -1.10 1.64 5.85 -0.75 -1.61 115.31 119.71 1h4d h LEU 187 Ca 0.07 0.09 0.38 0.00 0.84 0.00 0.00 57.88 59.26 1h4d h LEU 187 Cb 0.79 0.17 -0.15 0.00 0.37 0.00 0.00 40.66 41.84 1h4d h LEU 187 CO 0.06 -0.07 0.63 0.00 -0.34 0.00 0.00 178.44 178.72 1h4d h ALA 188 N 1.32 2.21 0.00 1.25 0.00 -1.21 0.14 119.26 122.97 1h4d h ALA 188 Ca 0.16 0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 1h4d h ALA 188 Cb 0.24 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1h4d h ALA 188 CO -0.31 -0.89 -0.37 0.00 0.00 0.00 0.00 179.25 177.68 1h4d h ARG 189 N 0.16 0.00 -0.01 0.00 2.47 -1.36 -3.22 114.38 112.43 1h4d h ARG 189 Ca 0.79 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.51 1h4d h ARG 189 Cb 2.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.39 1h4d h ARG 189 CO -0.61 0.37 -0.05 0.91 0.56 0.00 0.00 179.97 181.14 1h4d n TRP 190 N -4.02 0.00 1.56 3.04 7.02 0.49 -5.16 117.44 120.37 1h4d n TRP 190 Ca -0.02 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.59 1h4d n TRP 190 Cb 0.41 -0.08 0.74 0.00 -2.42 0.00 0.00 31.31 29.97 1h4d n TRP 190 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71