#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nd3 s LEU 2 N 0.00 4.36 0.10 0.99 2.96 -1.26 -4.94 118.68 120.89 1nd3 s LEU 2 Ca 0.00 2.40 -0.31 0.00 -0.22 0.00 0.00 54.13 56.00 1nd3 s LEU 2 Cb 0.00 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.07 1nd3 s LEU 2 CO 0.00 -0.94 1.47 -2.16 -1.32 0.00 0.00 176.35 173.40 1nd3 s PRO 3 N 3.73 4.27 0.24 0.98 0.04 -1.26 -5.00 135.00 138.00 1nd3 s PRO 3 Ca 0.77 2.16 0.08 0.00 0.04 0.00 0.00 61.00 64.04 1nd3 s PRO 3 Cb -0.37 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 30.77 1nd3 s PRO 3 CO 0.33 -0.55 -0.13 0.14 0.04 0.00 0.00 177.00 176.83 1nd3 s VAL 4 N 1.60 1.82 -0.25 -0.36 -7.23 -1.26 -5.13 120.40 109.59 1nd3 s VAL 4 Ca 0.67 -2.21 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 1nd3 s VAL 4 Cb -0.38 -2.20 0.07 0.00 0.56 0.00 0.00 36.38 34.43 1nd3 s VAL 4 CO 0.30 -0.48 -0.01 -0.47 -0.31 0.00 0.00 175.10 174.13 1nd3 s TYR 5 N -2.92 2.22 -0.08 2.82 6.14 -1.26 -5.10 117.35 119.17 1nd3 s TYR 5 Ca 0.26 -1.73 -0.30 0.00 0.64 0.00 0.00 57.07 55.94 1nd3 s TYR 5 Cb -0.00 -1.64 -0.04 0.00 0.42 0.00 0.00 41.96 40.70 1nd3 s TYR 5 CO 0.09 -0.78 1.56 0.08 0.64 0.00 0.00 175.55 177.15 1nd3 s VAL 6 N 1.45 3.74 0.40 3.14 1.01 -1.26 -5.00 120.40 123.89 1nd3 s VAL 6 Ca -0.01 0.90 -0.06 0.00 0.00 0.00 0.00 61.98 62.81 1nd3 s VAL 6 Cb -0.18 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1nd3 s VAL 6 CO -0.09 -0.09 0.69 0.42 0.00 0.00 0.00 175.10 176.03 1nd3 s THR 7 N 3.95 4.93 0.46 3.92 -4.23 -1.26 -5.02 115.64 118.40 1nd3 s THR 7 Ca 0.69 0.19 -0.24 0.00 -1.18 0.00 0.00 61.69 61.14 1nd3 s THR 7 Cb -0.30 -3.80 -0.08 0.00 1.34 0.00 0.00 72.50 69.65 1nd3 s THR 7 CO 0.26 -0.60 1.31 -2.65 -0.54 0.00 0.00 174.62 172.40 1nd3 n PRO 8 N -1.63 1.92 0.00 3.99 -0.02 -1.26 -1.99 135.00 136.01 1nd3 n PRO 8 Ca -0.00 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1nd3 n PRO 8 Cb 0.55 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1nd3 n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nd3 n GLY 9 N 0.77 2.38 3.66 -1.23 0.00 -1.26 -5.06 105.19 104.45 1nd3 n GLY 9 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1nd3 n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nd3 n SER 10 N 0.00 2.22 0.00 1.61 7.64 -0.84 -1.76 113.62 122.49 1nd3 n SER 10 Ca 0.00 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1nd3 n SER 10 Cb 0.00 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 61.79 1nd3 n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nd3 n GLY 11 N 1.06 3.01 3.71 0.23 0.00 -1.26 -5.01 105.19 106.93 1nd3 n GLY 11 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1nd3 n GLY 11 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1nd3 s GLN 12 N -0.10 1.13 -0.25 1.61 -2.07 -0.72 -5.04 119.66 114.22 1nd3 s GLN 12 Ca 0.00 0.76 0.01 0.00 -1.82 0.00 0.00 55.36 54.31 1nd3 s GLN 12 Cb 0.00 -1.80 0.07 0.00 -1.09 0.00 0.00 33.01 30.19 1nd3 s GLN 12 CO 0.00 -2.31 -0.04 0.12 -1.32 0.00 0.00 175.29 171.73 1nd3 s PHE 13 N -2.95 2.63 -0.26 9.60 5.36 -1.26 -5.09 117.98 126.00 1nd3 s PHE 13 Ca 0.64 -1.97 -0.09 0.00 -0.96 0.00 0.00 56.93 54.54 1nd3 s PHE 13 Cb -0.18 -1.78 -0.04 0.00 -0.34 0.00 0.00 43.02 40.68 1nd3 s PHE 13 CO 0.57 -0.82 0.13 1.41 -1.46 0.00 0.00 175.22 175.06 1nd3 s MET 14 N 1.31 3.83 0.52 10.12 1.75 -1.26 -4.97 119.30 130.60 1nd3 s MET 14 Ca -0.04 -0.39 0.32 0.00 -1.25 0.00 0.00 55.69 54.34 1nd3 s MET 14 Cb -0.19 -3.50 1.76 0.00 2.84 0.00 0.00 34.83 35.75 1nd3 s MET 14 CO -0.07 -0.16 1.98 1.79 -0.65 0.00 0.00 175.02 177.91 1nd3 h THR 15 N 5.41 0.00 -0.30 10.11 1.35 -2.07 -1.55 112.91 125.86 1nd3 h THR 15 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1nd3 h THR 15 Cb 1.18 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1nd3 h THR 15 CO 0.57 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.19 1nd3 n THR 16 N -2.69 1.55 -1.14 6.82 -2.24 -1.26 -5.02 114.28 110.30 1nd3 n THR 16 Ca -0.02 -1.38 -0.29 0.00 -2.27 0.00 0.00 64.05 60.09 1nd3 n THR 16 Cb 0.12 0.18 0.16 0.00 -2.10 0.00 0.00 70.33 68.69 1nd3 n THR 16 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1nd3 s ASP 17 N -1.40 2.94 -0.46 3.42 3.84 -0.59 -5.02 116.67 119.41 1nd3 s ASP 17 Ca 0.31 1.37 0.07 0.00 -0.00 0.00 0.00 52.55 54.30 1nd3 s ASP 17 Cb 0.21 -2.05 0.23 0.00 -1.38 0.00 0.00 42.92 39.94 1nd3 s ASP 17 CO 0.12 -2.96 0.53 -0.67 -0.00 0.00 0.00 175.17 172.20 1nd3 n ASP 18 N -4.08 0.91 -4.88 2.11 2.03 -1.26 -5.07 116.55 106.31 1nd3 n ASP 18 Ca 0.06 -2.81 -0.21 0.00 0.52 0.00 0.00 54.79 52.35 1nd3 n ASP 18 Cb 0.56 -0.64 -0.03 0.00 -0.72 0.00 0.00 41.12 40.29 1nd3 n ASP 18 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1nd3 s MET 19 N -1.25 2.51 0.25 -0.67 -1.94 -1.26 -5.13 119.30 111.81 1nd3 s MET 19 Ca 0.35 -1.57 0.05 0.00 -1.71 0.00 0.00 55.69 52.82 1nd3 s MET 19 Cb 0.13 -2.36 -0.03 0.00 2.01 0.00 0.00 34.83 34.59 1nd3 s MET 19 CO -0.11 -0.22 0.36 -0.65 -0.01 0.00 0.00 175.02 174.39 1nd3 s GLN 20 N -4.14 3.35 -0.03 2.03 -0.21 -1.26 -5.13 119.66 114.27 1nd3 s GLN 20 Ca 0.48 -0.82 -0.25 0.00 0.02 0.00 0.00 55.36 54.78 1nd3 s GLN 20 Cb -0.03 -2.85 0.05 0.00 1.00 0.00 0.00 33.01 31.18 1nd3 s GLN 20 CO 0.28 0.38 0.54 -1.54 -2.12 0.00 0.00 175.29 172.83 1nd3 s SER 21 N -3.99 -0.48 0.56 5.90 1.04 -1.26 -5.15 113.70 110.31 1nd3 s SER 21 Ca 0.35 0.45 -0.21 0.00 0.48 0.00 0.00 55.95 57.03 1nd3 s SER 21 Cb -0.09 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 1nd3 s SER 21 CO 0.29 -0.57 1.23 -0.81 0.98 0.00 0.00 173.24 174.35 1nd3 n PRO 22 N 0.97 1.41 -3.26 4.02 -0.04 -1.26 -4.97 135.00 131.87 1nd3 n PRO 22 Ca -0.20 0.53 -0.39 0.00 -0.04 0.00 0.00 63.50 63.40 1nd3 n PRO 22 Cb 0.57 -2.42 -0.06 0.00 -0.04 0.00 0.00 33.50 31.55 1nd3 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nd3 h ALA 24 N 6.97 1.00 -2.58 0.00 0.00 -2.06 -3.34 119.26 119.24 1nd3 h ALA 24 Ca -0.38 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 53.91 1nd3 h ALA 24 Cb 1.17 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.55 1nd3 h ALA 24 CO 0.75 0.00 -0.55 1.28 0.00 0.00 0.00 179.25 180.73 1nd3 n LEU 25 N -2.66 3.52 -4.73 0.00 4.77 -1.26 -5.10 117.00 111.55 1nd3 n LEU 25 Ca 0.02 -5.34 -0.35 0.00 -0.03 0.00 0.00 56.01 50.31 1nd3 n LEU 25 Cb 0.30 -0.73 0.08 0.00 -2.33 0.00 0.00 43.42 40.75 1nd3 n LEU 25 CO 0.25 1.91 0.82 -2.16 -1.33 0.00 0.00 177.39 176.89 1nd3 s PRO 26 N -2.04 2.28 0.00 3.23 0.04 -1.26 -2.80 135.00 134.45 1nd3 s PRO 26 Ca 0.33 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1nd3 s PRO 26 Cb 0.06 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1nd3 s PRO 26 CO -0.08 -1.74 0.00 0.91 0.04 0.00 0.00 177.00 176.13 1nd3 n TRP 27 N -2.46 0.00 -2.05 0.56 8.01 -1.26 -4.95 117.44 115.28 1nd3 n TRP 27 Ca 0.14 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.91 1nd3 n TRP 27 Cb 0.50 -0.73 -0.03 0.00 -2.01 0.00 0.00 31.31 29.04 1nd3 n TRP 27 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.69 176.21 1nd3 s TYR 28 N -1.76 3.09 -0.28 -5.99 5.04 -1.12 -5.01 117.35 111.32 1nd3 s TYR 28 Ca 0.00 0.99 -0.03 0.00 -2.44 0.00 0.00 57.07 55.59 1nd3 s TYR 28 Cb 0.00 -3.78 0.03 0.00 0.35 0.00 0.00 41.96 38.56 1nd3 s TYR 28 CO 0.00 -2.61 0.00 -1.58 -1.34 0.00 0.00 175.55 170.02 1nd3 s HIS 29 N 0.32 3.16 0.73 4.97 5.65 -1.26 -5.10 115.29 123.75 1nd3 s HIS 29 Ca 0.61 -1.51 -0.16 0.00 0.25 0.00 0.00 55.06 54.25 1nd3 s HIS 29 Cb -0.41 -2.13 0.02 0.00 -1.18 0.00 0.00 32.58 28.88 1nd3 s HIS 29 CO 0.39 -0.72 1.09 -2.30 -0.65 0.00 0.00 174.74 172.55 1nd3 n PRO 30 N 4.71 0.55 -1.82 2.88 -0.02 -1.26 -4.93 135.00 135.11 1nd3 n PRO 30 Ca -0.15 0.25 -0.41 0.00 -2.02 0.00 0.00 63.50 61.17 1nd3 n PRO 30 Cb 0.46 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.59 1nd3 n PRO 30 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1nd3 s THR 31 N -1.81 2.12 0.28 3.45 2.01 -1.26 -4.90 115.64 115.54 1nd3 s THR 31 Ca 0.75 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.57 1nd3 s THR 31 Cb -0.34 -3.07 -0.13 0.00 0.01 0.00 0.00 72.50 68.97 1nd3 s THR 31 CO 0.48 0.02 1.42 2.29 -0.69 0.00 0.00 174.62 178.14 1nd3 n LYS 32 N 1.15 2.21 -2.62 4.92 2.85 -1.26 -4.91 118.16 120.50 1nd3 n LYS 32 Ca 0.04 0.78 -0.43 0.00 -1.05 0.00 0.00 58.31 57.66 1nd3 n LYS 32 Cb 0.39 -2.45 -0.02 0.00 -0.65 0.00 0.00 35.03 32.29 1nd3 n LYS 32 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1nd3 s GLU 33 N -0.86 4.36 0.35 -1.58 2.12 -1.26 -5.04 118.70 116.79 1nd3 s GLU 33 Ca 0.63 1.46 0.07 0.00 0.36 0.00 0.00 54.97 57.49 1nd3 s GLU 33 Cb -0.59 -3.58 -0.01 0.00 0.26 0.00 0.00 34.13 30.21 1nd3 s GLU 33 CO 0.53 -0.43 0.44 0.96 -0.54 0.00 0.00 175.26 176.22 1nd3 s ILE 34 N 2.40 3.69 0.03 -3.70 -4.36 -1.26 -5.07 121.20 112.92 1nd3 s ILE 34 Ca 0.49 -1.11 -0.30 0.00 -0.26 0.00 0.00 60.65 59.48 1nd3 s ILE 34 Cb -0.19 -3.27 -0.04 0.00 1.25 0.00 0.00 42.46 40.21 1nd3 s ILE 34 CO 0.16 -0.13 1.02 0.12 0.24 0.00 0.00 174.94 176.35 1nd3 s PHE 35 N -2.25 3.64 -0.08 1.37 2.19 -1.26 -5.04 117.98 116.55 1nd3 s PHE 35 Ca 0.46 1.64 0.02 0.00 0.33 0.00 0.00 56.93 59.38 1nd3 s PHE 35 Cb -0.08 -3.17 0.02 0.00 -1.31 0.00 0.00 43.02 38.48 1nd3 s PHE 35 CO 0.30 -0.21 -0.12 0.42 1.83 0.00 0.00 175.22 177.44 1nd3 s ILE 36 N 0.86 1.15 0.74 3.12 1.01 -1.26 -5.13 121.20 121.69 1nd3 s ILE 36 Ca 0.52 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.58 1nd3 s ILE 36 Cb -0.23 -1.07 0.04 0.00 0.01 0.00 0.00 42.46 41.22 1nd3 s ILE 36 CO 0.29 0.36 1.15 -2.84 0.00 0.00 0.00 174.94 173.90 1nd3 s PRO 37 N 0.87 2.21 0.00 2.79 0.02 -1.26 -4.02 135.00 135.61 1nd3 s PRO 37 Ca -0.11 1.53 0.00 0.00 0.02 0.00 0.00 61.00 62.45 1nd3 s PRO 37 Cb -0.15 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.50 1nd3 s PRO 37 CO 0.01 -1.74 0.00 0.41 -0.33 0.00 0.00 177.00 175.36 1nd3 n GLY 38 N -0.14 0.53 3.77 0.52 0.00 -1.26 -5.03 105.19 103.58 1nd3 n GLY 38 Ca 0.12 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 1nd3 n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nd3 s GLU 39 N -1.72 4.25 -0.10 1.61 2.12 -1.26 -5.01 118.70 118.59 1nd3 s GLU 39 Ca 0.00 2.34 0.02 0.00 0.36 0.00 0.00 54.97 57.69 1nd3 s GLU 39 Cb 0.00 -3.02 -0.01 0.00 0.26 0.00 0.00 34.13 31.36 1nd3 s GLU 39 CO 0.00 -0.32 -0.18 0.08 -0.54 0.00 0.00 175.26 174.30 1nd3 s VAL 40 N -1.14 2.67 -0.04 3.70 1.01 -1.26 -5.00 120.40 120.34 1nd3 s VAL 40 Ca 0.51 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.76 1nd3 s VAL 40 Cb -0.42 -2.07 -0.13 0.00 0.00 0.00 0.00 36.38 33.75 1nd3 s VAL 40 CO 0.56 0.55 0.14 0.29 0.00 0.00 0.00 175.10 176.64 1nd3 n LYS 41 N 3.30 1.23 -3.81 2.72 5.02 -1.26 -5.01 118.16 120.35 1nd3 n LYS 41 Ca -0.18 -0.05 -0.13 0.00 -2.02 0.00 0.00 58.31 55.93 1nd3 n LYS 41 Cb 0.53 -1.23 -0.13 0.00 -0.02 0.00 0.00 35.03 34.18 1nd3 n LYS 41 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1nd3 s ASN 42 N -3.53 -0.15 0.33 4.39 3.84 -1.26 -5.03 114.94 113.54 1nd3 s ASN 42 Ca -0.04 0.30 0.23 0.00 0.21 0.00 0.00 52.86 53.56 1nd3 s ASN 42 Cb 0.05 0.28 1.20 0.00 -0.55 0.00 0.00 41.25 42.23 1nd3 s ASN 42 CO 0.39 -0.07 1.71 -0.07 -2.79 0.00 0.00 177.10 176.27 1nd3 h LEU 43 N 6.13 0.00 -1.94 3.21 3.38 -2.02 -1.82 115.31 122.25 1nd3 h LEU 43 Ca -0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1nd3 h LEU 43 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1nd3 h LEU 43 CO 0.42 0.00 -0.10 -0.29 0.09 0.00 0.00 178.44 178.56 1nd3 h ILE 44 N 0.00 0.84 0.00 1.22 6.09 -1.99 -0.51 117.51 123.17 1nd3 h ILE 44 Ca 0.00 -0.37 -0.03 0.00 -1.37 0.00 0.00 64.86 63.09 1nd3 h ILE 44 Cb 0.08 1.22 -0.00 0.00 0.47 0.00 0.00 36.82 38.58 1nd3 h ILE 44 CO 0.00 0.10 -0.14 -0.33 -3.07 0.00 0.00 178.15 174.71 1nd3 h GLU 45 N 0.00 0.00 0.00 2.19 5.08 -1.76 -2.25 114.58 117.83 1nd3 h GLU 45 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1nd3 h GLU 45 Cb 0.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1nd3 h GLU 45 CO 0.01 0.14 -1.18 0.52 -1.00 0.00 0.00 179.01 177.51 1nd3 h MET 46 N 0.00 0.00 0.00 2.33 2.86 -1.28 -3.30 114.93 115.54 1nd3 h MET 46 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1nd3 h MET 46 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1nd3 h MET 46 CO 0.02 0.39 0.00 0.00 1.06 0.00 0.00 176.91 178.37 1nd3 n GLN 48 N -2.37 1.89 -4.28 0.00 6.02 -0.99 -0.55 117.38 117.10 1nd3 n GLN 48 Ca 0.04 -1.34 -0.34 0.00 -0.01 0.00 0.00 57.00 55.36 1nd3 n GLN 48 Cb 0.39 -1.42 -0.11 0.00 1.02 0.00 0.00 30.24 30.13 1nd3 n GLN 48 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1nd3 s VAL 49 N -1.73 4.25 0.37 5.09 1.01 -1.17 -4.77 120.40 123.44 1nd3 s VAL 49 Ca 0.33 -0.24 -0.27 0.00 0.00 0.00 0.00 61.98 61.80 1nd3 s VAL 49 Cb 0.18 -2.86 -0.09 0.00 0.00 0.00 0.00 36.38 33.61 1nd3 s VAL 49 CO 0.27 0.50 1.29 -1.81 0.00 0.00 0.00 175.10 175.35 1nd3 s ASP 50 N 0.13 6.53 0.03 3.32 -0.00 -1.26 -4.67 116.67 120.75 1nd3 s ASP 50 Ca 0.01 2.63 -0.02 0.00 -0.00 0.00 0.00 52.55 55.17 1nd3 s ASP 50 Cb -0.13 -2.64 -0.02 0.00 -0.00 0.00 0.00 42.92 40.13 1nd3 s ASP 50 CO 0.02 -0.69 0.00 0.42 -0.00 0.00 0.00 175.17 174.92 1nd3 s THR 51 N -1.23 0.14 0.32 -1.27 -4.23 -1.12 -4.93 115.64 103.33 1nd3 s THR 51 Ca 0.53 -1.18 -0.28 0.00 -1.18 0.00 0.00 61.69 59.58 1nd3 s THR 51 Cb -0.38 -0.74 -0.09 0.00 1.34 0.00 0.00 72.50 72.63 1nd3 s THR 51 CO 0.49 -0.65 1.13 -0.76 -0.54 0.00 0.00 174.62 174.29 1nd3 s LEU 52 N -1.99 4.42 -0.21 4.79 1.43 -1.26 -2.15 118.68 123.70 1nd3 s LEU 52 Ca -0.07 2.31 -0.15 0.00 -1.03 0.00 0.00 54.13 55.19 1nd3 s LEU 52 Cb -0.03 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 1nd3 s LEU 52 CO -0.04 -0.34 0.37 -0.63 0.23 0.00 0.00 176.35 175.94 1nd3 s ILE 53 N -1.27 5.21 -1.44 -0.59 1.01 0.25 -4.70 121.20 119.67 1nd3 s ILE 53 Ca 0.49 0.64 -0.11 0.00 0.00 0.00 0.00 60.65 61.66 1nd3 s ILE 53 Cb -0.31 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 1nd3 s ILE 53 CO 0.40 0.25 2.58 -0.81 0.00 0.00 0.00 174.94 177.37 1nd3 n PRO 54 N 4.54 3.13 0.21 2.79 -0.04 -1.26 -4.61 135.00 139.75 1nd3 n PRO 54 Ca -0.09 -2.21 0.05 0.00 -0.04 0.00 0.00 63.50 61.20 1nd3 n PRO 54 Cb 0.51 -2.91 0.45 0.00 -0.04 0.00 0.00 33.50 31.51 1nd3 n PRO 54 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1nd3 h ILE 55 N 3.44 1.12 -1.11 0.52 2.10 -1.80 -2.98 117.51 118.79 1nd3 h ILE 55 Ca 0.71 -0.97 -0.68 0.00 1.08 0.00 0.00 64.86 65.00 1nd3 h ILE 55 Cb 0.40 1.54 -0.30 0.00 -1.09 0.00 0.00 36.82 37.36 1nd3 h ILE 55 CO 1.79 0.27 0.69 -3.20 -1.08 0.00 0.00 178.15 176.63 1nd3 n ASN 56 N -4.09 7.35 -3.37 2.19 5.15 -0.40 -4.84 115.26 117.24 1nd3 n ASN 56 Ca -0.02 -3.79 -0.39 0.00 -0.60 0.00 0.00 54.58 49.78 1nd3 n ASN 56 Cb 0.33 -0.91 -0.02 0.00 -0.53 0.00 0.00 39.78 38.65 1nd3 n ASN 56 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1nd3 n SER 57 N -0.84 8.43 -4.88 1.20 3.41 -1.13 -4.41 113.62 115.40 1nd3 n SER 57 Ca 0.59 -2.74 -0.30 0.00 -0.26 0.00 0.00 58.87 56.17 1nd3 n SER 57 Cb 0.64 -1.51 0.07 0.00 -0.26 0.00 0.00 64.21 63.15 1nd3 n SER 57 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1nd3 s THR 58 N 1.26 2.79 0.37 6.66 -4.23 -1.26 -4.76 115.64 116.46 1nd3 s THR 58 Ca 0.65 0.26 0.06 0.00 -1.18 0.00 0.00 61.69 61.47 1nd3 s THR 58 Cb 0.18 -3.22 0.29 0.00 1.34 0.00 0.00 72.50 71.09 1nd3 s THR 58 CO -0.07 -0.33 1.98 -0.61 -0.54 0.00 0.00 174.62 175.05 1nd3 h GLN 59 N -0.90 0.71 0.00 3.99 4.15 -1.96 -1.18 115.11 119.93 1nd3 h GLN 59 Ca -0.46 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1nd3 h GLN 59 Cb 1.29 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.82 1nd3 h GLN 59 CO 0.64 0.47 0.00 0.66 -1.93 0.00 0.00 178.83 178.67 1nd3 h SER 60 N 0.73 0.00 0.12 -0.69 4.64 -1.96 -3.29 113.55 113.11 1nd3 h SER 60 Ca 0.27 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.24 1nd3 h SER 60 Cb 0.16 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.19 1nd3 h SER 60 CO -0.08 0.00 -2.22 0.59 -0.87 0.00 0.00 176.83 174.25 1nd3 n ASN 61 N -2.39 0.33 -4.66 4.97 3.02 -0.52 -4.95 115.26 111.06 1nd3 n ASN 61 Ca 0.04 0.10 -0.47 0.00 -0.03 0.00 0.00 54.58 54.22 1nd3 n ASN 61 Cb 0.35 0.65 -0.04 0.00 -0.61 0.00 0.00 39.78 40.13 1nd3 n ASN 61 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1nd3 n ILE 62 N -2.85 0.04 -0.07 2.41 5.41 -0.76 -1.43 119.36 122.10 1nd3 n ILE 62 Ca -0.30 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.44 1nd3 n ILE 62 Cb 1.12 -1.44 0.00 0.00 -0.71 0.00 0.00 39.64 38.61 1nd3 n ILE 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1nd3 n GLY 63 N 3.25 0.96 3.04 7.39 0.00 -1.26 -5.04 105.19 113.54 1nd3 n GLY 63 Ca 0.17 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1nd3 n GLY 63 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nd3 s ASN 64 N -2.01 0.51 0.54 1.61 3.84 -0.51 -5.03 114.94 113.88 1nd3 s ASN 64 Ca 0.00 -0.70 0.32 0.00 0.21 0.00 0.00 52.86 52.69 1nd3 s ASN 64 Cb 0.00 0.12 1.38 0.00 -0.55 0.00 0.00 41.25 42.20 1nd3 s ASN 64 CO 0.00 -0.39 2.00 -0.37 -2.79 0.00 0.00 177.10 175.55 1nd3 h VAL 65 N 4.02 0.17 0.00 -5.21 -1.51 -1.98 -2.57 116.25 109.18 1nd3 h VAL 65 Ca -0.34 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.54 1nd3 h VAL 65 Cb 1.18 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 31.84 1nd3 h VAL 65 CO 0.51 0.06 0.00 -1.54 -1.23 0.00 0.00 177.57 175.36 1nd3 n SER 66 N -3.21 0.00 0.00 4.19 3.41 -1.26 -1.33 113.62 115.42 1nd3 n SER 66 Ca -0.00 0.50 0.11 0.00 -0.26 0.00 0.00 58.87 59.22 1nd3 n SER 66 Cb 0.30 -0.50 0.53 0.00 -0.26 0.00 0.00 64.21 64.28 1nd3 n SER 66 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1nd3 n MET 67 N -1.50 0.15 0.00 4.33 0.00 -0.97 -2.77 117.12 116.36 1nd3 n MET 67 Ca 0.01 0.09 0.10 0.00 0.00 0.00 0.00 57.70 57.90 1nd3 n MET 67 Cb 0.07 -1.50 0.03 0.00 0.00 0.00 0.00 33.22 31.82 1nd3 n MET 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1nd3 n TYR 68 N -1.40 0.00 -4.36 3.17 4.02 -0.44 -1.27 117.16 116.86 1nd3 n TYR 68 Ca 0.08 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.68 1nd3 n TYR 68 Cb 0.23 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.43 1nd3 n TYR 68 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1nd3 s THR 69 N -2.00 2.61 -0.14 -0.72 -4.23 -1.11 -4.32 115.64 105.72 1nd3 s THR 69 Ca 0.19 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1nd3 s THR 69 Cb 0.16 -2.17 -0.01 0.00 1.34 0.00 0.00 72.50 71.82 1nd3 s THR 69 CO 0.40 0.11 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.76 1nd3 s VAL 70 N -1.10 2.82 0.01 2.29 1.01 -0.72 -4.57 120.40 120.15 1nd3 s VAL 70 Ca 0.16 -0.73 -0.23 0.00 0.00 0.00 0.00 61.98 61.19 1nd3 s VAL 70 Cb -0.10 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1nd3 s VAL 70 CO 0.08 0.52 0.68 -0.89 0.00 0.00 0.00 175.10 175.49 1nd3 s THR 71 N 0.63 4.83 0.24 3.92 2.01 -1.26 -1.33 115.64 124.68 1nd3 s THR 71 Ca -0.08 1.44 0.10 0.00 0.31 0.00 0.00 61.69 63.47 1nd3 s THR 71 Cb -0.16 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 1nd3 s THR 71 CO 0.03 0.38 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.45 1nd3 s LEU 72 N -0.05 2.84 0.01 4.42 1.43 0.86 -4.96 118.68 123.23 1nd3 s LEU 72 Ca 0.35 -0.78 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 1nd3 s LEU 72 Cb -0.19 -1.44 0.10 0.00 0.03 0.00 0.00 46.19 44.70 1nd3 s LEU 72 CO 0.20 0.06 1.12 -0.94 0.23 0.00 0.00 176.35 177.02 1nd3 s SER 73 N -3.26 -0.15 0.15 2.29 1.04 -1.26 -1.79 113.70 110.72 1nd3 s SER 73 Ca 0.28 -0.18 -0.32 0.00 0.48 0.00 0.00 55.95 56.21 1nd3 s SER 73 Cb -0.07 0.29 -0.11 0.00 0.10 0.00 0.00 66.02 66.23 1nd3 s SER 73 CO 0.16 -0.52 1.79 -2.65 0.98 0.00 0.00 173.24 172.99 1nd3 n PRO 74 N -0.39 2.75 -3.79 4.02 -0.02 -1.26 -4.46 135.00 131.86 1nd3 n PRO 74 Ca -0.06 1.00 -0.29 0.00 -2.02 0.00 0.00 63.50 62.12 1nd3 n PRO 74 Cb 0.61 -2.87 -0.04 0.00 -0.02 0.00 0.00 33.50 31.19 1nd3 n PRO 74 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1nd3 s GLN 75 N 2.13 3.51 -0.03 -0.52 -1.52 -1.26 -5.01 119.66 116.96 1nd3 s GLN 75 Ca 0.80 -0.36 0.18 0.00 -1.95 0.00 0.00 55.36 54.03 1nd3 s GLN 75 Cb -0.50 -2.91 -0.27 0.00 -0.22 0.00 0.00 33.01 29.11 1nd3 s GLN 75 CO 0.36 0.48 0.37 0.25 -0.25 0.00 0.00 175.29 176.50 1nd3 n THR 76 N -0.26 0.07 -4.44 -0.19 -2.24 -1.26 -4.93 114.28 101.02 1nd3 n THR 76 Ca -0.05 -0.42 -0.31 0.00 -2.27 0.00 0.00 64.05 61.00 1nd3 n THR 76 Cb 0.53 0.06 -0.11 0.00 -2.10 0.00 0.00 70.33 68.71 1nd3 n THR 76 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1nd3 s LYS 77 N -3.18 2.31 0.47 -0.78 1.02 -1.26 -5.12 119.74 113.20 1nd3 s LYS 77 Ca -0.07 -0.88 -0.14 0.00 0.02 0.00 0.00 55.97 54.91 1nd3 s LYS 77 Cb 0.11 -2.36 -0.07 0.00 -0.52 0.00 0.00 37.83 34.98 1nd3 s LYS 77 CO 0.73 0.56 0.90 -0.51 -0.92 0.00 0.00 175.35 176.11 1nd3 s LEU 78 N -1.66 3.69 -1.51 3.17 1.43 -1.26 -4.34 118.68 118.20 1nd3 s LEU 78 Ca 0.18 1.39 -0.13 0.00 -1.03 0.00 0.00 54.13 54.54 1nd3 s LEU 78 Cb -0.11 -4.31 0.08 0.00 0.03 0.00 0.00 46.19 41.88 1nd3 s LEU 78 CO 0.09 -0.52 0.97 0.00 0.23 0.00 0.00 176.35 177.12 1nd3 n ALA 79 N -1.51 -1.35 -1.76 4.21 0.00 -1.26 -4.97 120.51 113.88 1nd3 n ALA 79 Ca 0.05 0.18 -0.34 0.00 0.00 0.00 0.00 53.44 53.33 1nd3 n ALA 79 Cb 0.54 -4.35 -0.01 0.00 0.00 0.00 0.00 19.45 15.63 1nd3 n ALA 79 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nd3 s GLU 80 N -6.56 3.52 0.21 0.00 0.41 -1.26 -4.52 118.70 110.50 1nd3 s GLU 80 Ca 0.61 1.45 -0.28 0.00 -0.41 0.00 0.00 54.97 56.33 1nd3 s GLU 80 Cb -0.30 -2.04 -0.08 0.00 -1.78 0.00 0.00 34.13 29.92 1nd3 s GLU 80 CO 0.82 -0.68 0.88 -2.00 -0.49 0.00 0.00 175.26 173.79 1nd3 s GLU 81 N -3.39 4.74 -0.23 1.61 2.12 -1.26 -1.76 118.70 120.53 1nd3 s GLU 81 Ca 0.69 1.36 -0.06 0.00 0.36 0.00 0.00 54.97 57.32 1nd3 s GLU 81 Cb -0.20 -3.28 -0.12 0.00 0.26 0.00 0.00 34.13 30.80 1nd3 s GLU 81 CO 0.26 0.52 -0.26 -0.89 -0.54 0.00 0.00 175.26 174.35 1nd3 n ILE 82 N 1.59 1.28 -3.56 -3.70 5.41 0.23 -4.96 119.36 115.66 1nd3 n ILE 82 Ca -0.03 -0.39 -0.09 0.00 1.00 0.00 0.00 62.75 63.23 1nd3 n ILE 82 Cb 0.48 -1.59 -0.02 0.00 -0.71 0.00 0.00 39.64 37.80 1nd3 n ILE 82 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1nd3 s PHE 83 N -2.43 -0.39 -0.20 1.39 -0.71 -1.22 -4.98 117.98 109.45 1nd3 s PHE 83 Ca -0.31 0.14 -0.11 0.00 -1.04 0.00 0.00 56.93 55.61 1nd3 s PHE 83 Cb 0.10 0.59 0.07 0.00 -1.21 0.00 0.00 43.02 42.57 1nd3 s PHE 83 CO 0.45 -0.85 0.47 0.00 -1.34 0.00 0.00 175.22 173.96 1nd3 s ALA 84 N -3.58 -1.24 0.08 1.99 0.00 -1.26 -1.46 121.76 116.29 1nd3 s ALA 84 Ca 0.05 1.73 -0.06 0.00 0.00 0.00 0.00 51.96 53.68 1nd3 s ALA 84 Cb -0.02 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 1nd3 s ALA 84 CO -0.07 -0.31 0.13 0.96 0.00 0.00 0.00 175.76 176.47 1nd3 s ILE 85 N 1.51 0.16 0.47 0.00 -4.36 -0.75 -5.00 121.20 113.23 1nd3 s ILE 85 Ca -0.09 -1.37 -0.21 0.00 -0.26 0.00 0.00 60.65 58.72 1nd3 s ILE 85 Cb -0.08 -1.40 -0.09 0.00 1.25 0.00 0.00 42.46 42.14 1nd3 s ILE 85 CO -0.14 -0.74 1.03 -0.54 0.24 0.00 0.00 174.94 174.78 1nd3 s LYS 86 N -3.88 3.90 0.00 0.37 1.02 -1.26 -1.37 119.74 118.52 1nd3 s LYS 86 Ca 0.06 1.34 0.25 0.00 0.02 0.00 0.00 55.97 57.65 1nd3 s LYS 86 Cb 0.06 -2.15 0.57 0.00 -0.52 0.00 0.00 37.83 35.78 1nd3 s LYS 86 CO -0.10 -0.35 1.45 1.55 -0.92 0.00 0.00 175.35 176.98 1nd3 n VAL 87 N -0.83 0.00 -1.67 3.17 3.14 -0.16 -4.79 118.33 117.19 1nd3 n VAL 87 Ca 0.09 -0.04 -0.47 0.00 -2.96 0.00 0.00 64.34 60.96 1nd3 n VAL 87 Cb 0.52 0.30 -0.04 0.00 -1.06 0.00 0.00 33.84 33.56 1nd3 n VAL 87 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1nd3 n ASP 88 N -1.26 3.56 -0.31 6.55 9.92 -1.26 -4.83 116.55 128.91 1nd3 n ASP 88 Ca 0.07 0.92 0.35 0.00 -0.53 0.00 0.00 54.79 55.61 1nd3 n ASP 88 Cb 0.34 -1.41 0.72 0.00 -0.64 0.00 0.00 41.12 40.13 1nd3 n ASP 88 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 1nd3 h ILE 89 N 5.61 0.28 -0.10 0.53 6.09 -1.90 0.45 117.51 128.46 1nd3 h ILE 89 Ca -0.48 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 1nd3 h ILE 89 Cb 1.27 0.32 0.00 0.00 0.47 0.00 0.00 36.82 38.87 1nd3 h ILE 89 CO 0.95 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 176.03 1nd3 n ALA 90 N -2.66 2.06 -0.96 0.18 0.00 -1.26 -4.29 120.51 113.59 1nd3 n ALA 90 Ca 0.26 -1.08 -0.30 0.00 0.00 0.00 0.00 53.44 52.32 1nd3 n ALA 90 Cb 1.33 -0.14 0.24 0.00 0.00 0.00 0.00 19.45 20.89 1nd3 n ALA 90 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nd3 s SER 91 N -1.04 0.78 0.18 0.00 1.04 0.15 -4.54 113.70 110.26 1nd3 s SER 91 Ca 0.08 0.76 0.09 0.00 0.48 0.00 0.00 55.95 57.36 1nd3 s SER 91 Cb 0.04 -1.10 -0.05 0.00 0.10 0.00 0.00 66.02 65.01 1nd3 s SER 91 CO 0.05 -4.23 1.37 0.45 0.98 0.00 0.00 173.24 171.86 1nd3 h HIS 92 N -2.65 0.00 0.00 5.02 3.86 -1.94 -1.24 115.15 118.20 1nd3 h HIS 92 Ca -0.47 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 58.66 1nd3 h HIS 92 Cb 1.31 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.77 1nd3 h HIS 92 CO -1.93 0.83 -0.39 -1.00 0.86 0.00 0.00 177.93 176.30 1nd3 h PRO 93 N 0.00 0.00 -0.50 2.45 0.13 -1.92 -3.24 132.00 128.92 1nd3 h PRO 93 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1nd3 h PRO 93 Cb 1.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.71 1nd3 h PRO 93 CO 0.11 0.39 0.00 1.47 -0.23 0.00 0.00 178.00 179.74 1nd3 n LEU 94 N -3.97 4.45 -0.07 1.56 -0.00 -1.22 -4.19 117.00 113.57 1nd3 n LEU 94 Ca -0.02 -2.59 -0.04 0.00 -0.00 0.00 0.00 56.01 53.37 1nd3 n LEU 94 Cb 0.44 -0.54 0.19 0.00 -0.00 0.00 0.00 43.42 43.51 1nd3 n LEU 94 CO 0.38 0.74 0.86 0.00 -0.00 0.00 0.00 177.39 179.38 1nd3 h ALA 95 N 3.25 1.14 -0.14 1.47 0.00 -1.25 -3.00 119.26 120.73 1nd3 h ALA 95 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1nd3 h ALA 95 Cb 1.43 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1nd3 h ALA 95 CO 0.24 0.55 0.00 0.25 0.00 0.00 0.00 179.25 180.28 1nd3 n THR 96 N -4.21 0.18 -1.60 0.00 -2.24 -1.26 -2.25 114.28 102.89 1nd3 n THR 96 Ca 0.02 -0.24 -0.30 0.00 -2.27 0.00 0.00 64.05 61.26 1nd3 n THR 96 Cb 0.31 0.13 0.09 0.00 -2.10 0.00 0.00 70.33 68.77 1nd3 n THR 96 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1nd3 s THR 97 N -1.82 2.86 0.16 4.28 -4.23 -1.13 -4.75 115.64 111.00 1nd3 s THR 97 Ca 0.26 0.28 -0.15 0.00 -1.18 0.00 0.00 61.69 60.90 1nd3 s THR 97 Cb 0.13 -3.07 0.04 0.00 1.34 0.00 0.00 72.50 70.95 1nd3 s THR 97 CO 0.20 -0.36 1.81 0.25 -0.54 0.00 0.00 174.62 175.98 1nd3 h LEU 98 N -1.12 0.44 -1.03 4.79 5.85 -1.89 0.16 115.31 122.51 1nd3 h LEU 98 Ca -0.47 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.16 1nd3 h LEU 98 Cb 1.28 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1nd3 h LEU 98 CO 0.61 0.32 -0.25 -0.29 -0.34 0.00 0.00 178.44 178.49 1nd3 h ILE 99 N 0.55 1.26 -0.39 4.05 2.10 -1.88 -1.57 117.51 121.62 1nd3 h ILE 99 Ca 0.18 -1.21 -0.14 0.00 1.08 0.00 0.00 64.86 64.76 1nd3 h ILE 99 Cb -0.00 1.37 -0.01 0.00 -1.09 0.00 0.00 36.82 37.09 1nd3 h ILE 99 CO -0.07 0.38 -0.33 1.23 -1.08 0.00 0.00 178.15 178.28 1nd3 h GLY 100 N 1.01 0.95 1.06 8.18 0.00 -1.55 -0.37 103.07 112.35 1nd3 h GLY 100 Ca 0.05 -0.92 -0.09 0.00 0.00 0.00 0.00 47.33 46.38 1nd3 h GLY 100 CO 0.04 0.83 0.02 0.83 0.00 0.00 0.00 176.54 178.27 1nd3 h GLU 101 N 0.73 1.04 -0.28 4.80 4.39 -0.26 -1.73 114.58 123.27 1nd3 h GLU 101 Ca 0.07 -0.32 -0.15 0.00 0.34 0.00 0.00 59.36 59.31 1nd3 h GLU 101 Cb 0.90 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1nd3 h GLU 101 CO 0.08 1.01 -0.40 0.82 -1.16 0.00 0.00 179.01 179.36 1nd3 h ILE 102 N 0.93 1.30 -0.00 3.13 2.04 -1.22 -2.73 117.51 120.96 1nd3 h ILE 102 Ca 0.17 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.45 1nd3 h ILE 102 Cb 0.53 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1nd3 h ILE 102 CO 0.03 0.51 0.00 0.00 0.00 0.00 0.00 178.15 178.69 1nd3 h ALA 103 N 0.68 1.90 0.00 1.87 0.00 -0.92 -0.03 119.26 122.76 1nd3 h ALA 103 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nd3 h ALA 103 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1nd3 h ALA 103 CO 0.09 -0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.77 1nd3 n SER 104 N -4.39 0.00 -1.02 0.00 7.64 -0.66 -1.57 113.62 113.61 1nd3 n SER 104 Ca -0.03 -0.22 0.11 0.00 1.01 0.00 0.00 58.87 59.74 1nd3 n SER 104 Cb 0.09 -0.18 0.18 0.00 -1.01 0.00 0.00 64.21 63.30 1nd3 n SER 104 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1nd3 n TYR 105 N -1.18 0.40 -4.21 1.43 4.02 -0.03 -3.89 117.16 113.71 1nd3 n TYR 105 Ca 0.11 -0.22 -0.15 0.00 -0.01 0.00 0.00 57.90 57.63 1nd3 n TYR 105 Cb 0.12 -0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.33 1nd3 n TYR 105 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1nd3 s PHE 106 N -1.43 1.18 -0.05 -0.72 0.40 -0.61 -0.10 117.98 116.65 1nd3 s PHE 106 Ca 0.34 -0.68 0.09 0.00 -0.60 0.00 0.00 56.93 56.08 1nd3 s PHE 106 Cb 0.20 -0.62 -0.24 0.00 0.51 0.00 0.00 43.02 42.87 1nd3 s PHE 106 CO 0.28 0.05 0.64 1.15 0.70 0.00 0.00 175.22 178.04 1nd3 h THR 107 N 3.29 0.84 -3.77 0.64 2.02 -0.03 -3.43 112.91 112.47 1nd3 h THR 107 Ca -0.37 -2.67 -0.63 0.00 0.77 0.00 0.00 66.41 63.51 1nd3 h THR 107 Cb 1.19 2.45 -0.21 0.00 -1.74 0.00 0.00 68.15 69.84 1nd3 h THR 107 CO 0.56 0.57 -0.84 -1.00 0.37 0.00 0.00 175.52 175.18 1nd3 s HIS 108 N -2.60 2.09 0.07 3.16 3.76 -0.49 -1.06 115.29 120.21 1nd3 s HIS 108 Ca -0.07 -0.40 -0.03 0.00 -0.15 0.00 0.00 55.06 54.41 1nd3 s HIS 108 Cb 0.08 -1.11 -0.03 0.00 1.11 0.00 0.00 32.58 32.62 1nd3 s HIS 108 CO 0.82 0.31 0.04 1.67 -0.85 0.00 0.00 174.74 176.73 1nd3 s TRP 109 N -1.26 0.47 0.24 1.40 1.48 -0.07 -0.88 118.94 120.32 1nd3 s TRP 109 Ca 0.12 -0.97 -0.21 0.00 -1.06 0.00 0.00 56.10 53.98 1nd3 s TRP 109 Cb -0.09 -0.32 0.04 0.00 -1.16 0.00 0.00 33.47 31.94 1nd3 s TRP 109 CO 0.06 -0.44 0.67 -0.08 -4.06 0.00 0.00 176.95 173.10 1nd3 s THR 110 N -3.92 0.00 0.00 0.66 -1.32 -0.50 -1.35 115.64 109.21 1nd3 s THR 110 Ca 0.09 -0.67 0.00 0.00 -1.21 0.00 0.00 61.69 59.90 1nd3 s THR 110 Cb 0.07 -1.65 0.00 0.00 -1.51 0.00 0.00 72.50 69.41 1nd3 s THR 110 CO -0.09 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 1nd3 n GLY 111 N -0.43 1.21 3.89 6.08 0.00 -1.25 -1.43 105.19 113.26 1nd3 n GLY 111 Ca -0.09 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.50 1nd3 n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nd3 s SER 112 N 0.00 6.52 -0.00 1.61 0.01 -1.26 -4.33 113.70 116.24 1nd3 s SER 112 Ca 0.00 0.61 0.01 0.00 1.31 0.00 0.00 55.95 57.87 1nd3 s SER 112 Cb 0.00 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 64.09 1nd3 s SER 112 CO 0.00 0.14 0.03 -0.76 0.41 0.00 0.00 173.24 173.06 1nd3 s LEU 113 N -2.25 3.66 -0.26 2.44 1.43 -0.71 -1.04 118.68 121.95 1nd3 s LEU 113 Ca 0.35 0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 53.47 1nd3 s LEU 113 Cb -0.13 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 44.00 1nd3 s LEU 113 CO 0.21 0.28 -0.02 -0.60 0.23 0.00 0.00 176.35 176.45 1nd3 s ARG 114 N -1.62 2.91 -0.19 1.70 3.52 0.93 -0.42 118.95 125.77 1nd3 s ARG 114 Ca 0.21 -0.95 -0.06 0.00 -0.13 0.00 0.00 55.73 54.80 1nd3 s ARG 114 Cb -0.12 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.14 1nd3 s ARG 114 CO 0.11 -0.41 0.03 -0.06 -0.81 0.00 0.00 175.30 174.16 1nd3 s PHE 115 N 1.37 3.12 0.15 5.12 0.08 -0.13 -1.40 117.98 126.29 1nd3 s PHE 115 Ca 0.01 -0.23 0.11 0.00 0.12 0.00 0.00 56.93 56.94 1nd3 s PHE 115 Cb -0.17 -2.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.15 1nd3 s PHE 115 CO -0.02 -0.08 -0.24 -1.12 -0.10 0.00 0.00 175.22 173.65 1nd3 s SER 116 N 0.78 3.47 -0.03 1.36 0.01 -0.65 0.26 113.70 118.90 1nd3 s SER 116 Ca 0.02 -0.76 0.01 0.00 1.31 0.00 0.00 55.95 56.53 1nd3 s SER 116 Cb -0.14 -0.29 0.02 0.00 0.21 0.00 0.00 66.02 65.82 1nd3 s SER 116 CO 0.02 0.16 -0.02 -0.36 0.41 0.00 0.00 173.24 173.45 1nd3 s PHE 117 N -1.29 0.39 -0.17 2.43 0.40 -0.09 -0.06 117.98 119.60 1nd3 s PHE 117 Ca 0.17 -0.05 -0.00 0.00 -0.60 0.00 0.00 56.93 56.45 1nd3 s PHE 117 Cb -0.09 -0.41 0.00 0.00 0.51 0.00 0.00 43.02 43.02 1nd3 s PHE 117 CO 0.08 -0.11 -0.15 1.41 0.70 0.00 0.00 175.22 177.15 1nd3 s MET 118 N 0.77 3.19 0.13 0.44 1.75 -0.35 -1.45 119.30 123.78 1nd3 s MET 118 Ca -0.08 -0.75 -0.28 0.00 -1.25 0.00 0.00 55.69 53.33 1nd3 s MET 118 Cb -0.11 -2.66 -0.07 0.00 2.84 0.00 0.00 34.83 34.83 1nd3 s MET 118 CO -0.01 -0.05 0.87 0.12 -0.65 0.00 0.00 175.02 175.30 1nd3 s PHE 119 N 0.98 3.84 -0.20 4.11 2.19 -0.67 -1.38 117.98 126.85 1nd3 s PHE 119 Ca -0.02 1.70 0.12 0.00 0.33 0.00 0.00 56.93 59.06 1nd3 s PHE 119 Cb -0.15 -2.92 0.43 0.00 -1.31 0.00 0.00 43.02 39.07 1nd3 s PHE 119 CO -0.03 0.33 1.21 0.00 1.83 0.00 0.00 175.22 178.56 1nd3 n GLY 121 N -0.93 -0.18 3.74 0.00 0.00 -1.26 -4.44 105.19 102.13 1nd3 n GLY 121 Ca 0.20 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 1nd3 n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nd3 s THR 122 N -0.52 1.96 -0.38 2.61 -4.23 -1.26 -4.91 115.64 108.91 1nd3 s THR 122 Ca 0.03 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 60.80 1nd3 s THR 122 Cb -0.00 -2.66 0.29 0.00 1.34 0.00 0.00 72.50 71.47 1nd3 s THR 122 CO 0.02 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 175.88 1nd3 h ALA 123 N -1.74 1.00 -0.59 3.99 0.00 -2.00 -2.47 119.26 117.44 1nd3 h ALA 123 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1nd3 h ALA 123 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1nd3 h ALA 123 CO 0.57 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.91 1nd3 n ASN 124 N -2.45 3.70 -4.69 0.00 4.13 -1.26 -4.90 115.26 109.79 1nd3 n ASN 124 Ca 0.02 -1.99 -0.37 0.00 1.68 0.00 0.00 54.58 53.91 1nd3 n ASN 124 Cb 0.28 -0.39 -0.07 0.00 -1.54 0.00 0.00 39.78 38.05 1nd3 n ASN 124 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1nd3 s THR 125 N -1.22 5.25 0.28 3.41 2.01 -0.93 -4.37 115.64 120.06 1nd3 s THR 125 Ca 0.45 0.63 0.09 0.00 0.31 0.00 0.00 61.69 63.17 1nd3 s THR 125 Cb 0.24 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1nd3 s THR 125 CO 0.32 0.31 0.02 0.42 -0.69 0.00 0.00 174.62 175.01 1nd3 s THR 126 N 0.94 3.37 -0.27 -0.82 -4.23 -0.30 -4.85 115.64 109.48 1nd3 s THR 126 Ca 0.18 -1.87 -0.28 0.00 -1.18 0.00 0.00 61.69 58.53 1nd3 s THR 126 Cb -0.14 -2.87 0.18 0.00 1.34 0.00 0.00 72.50 71.01 1nd3 s THR 126 CO 0.06 -0.34 1.33 -0.22 -0.54 0.00 0.00 174.62 174.92 1nd3 s LEU 127 N -3.70 -0.09 -0.06 4.79 2.96 -1.26 -1.67 118.68 119.64 1nd3 s LEU 127 Ca 0.33 0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.37 1nd3 s LEU 127 Cb -0.06 1.20 0.01 0.00 0.50 0.00 0.00 46.19 47.85 1nd3 s LEU 127 CO 0.20 -0.07 -0.11 -0.54 -1.32 0.00 0.00 176.35 174.52 1nd3 s LYS 128 N -0.77 1.56 0.07 1.98 1.02 -1.26 -1.48 119.74 120.88 1nd3 s LYS 128 Ca 0.07 -0.36 0.05 0.00 0.02 0.00 0.00 55.97 55.75 1nd3 s LYS 128 Cb -0.02 -1.32 -0.03 0.00 -0.52 0.00 0.00 37.83 35.94 1nd3 s LYS 128 CO -0.08 0.01 -0.15 0.08 -0.92 0.00 0.00 175.35 174.28 1nd3 s VAL 129 N 0.72 1.16 -0.24 3.17 1.01 -0.34 -1.16 120.40 124.72 1nd3 s VAL 129 Ca -0.14 -1.32 -0.04 0.00 0.00 0.00 0.00 61.98 60.48 1nd3 s VAL 129 Cb -0.16 -1.11 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 1nd3 s VAL 129 CO 0.03 -0.21 -0.02 -0.22 0.00 0.00 0.00 175.10 174.68 1nd3 s LEU 130 N -1.74 3.12 -0.26 3.92 0.20 0.77 -0.08 118.68 124.62 1nd3 s LEU 130 Ca -0.01 -0.51 -0.08 0.00 0.69 0.00 0.00 54.13 54.22 1nd3 s LEU 130 Cb -0.10 -1.76 -0.03 0.00 -0.43 0.00 0.00 46.19 43.87 1nd3 s LEU 130 CO 0.02 -0.06 0.10 -0.76 -0.29 0.00 0.00 176.35 175.36 1nd3 s LEU 131 N 1.47 3.57 0.05 -0.68 1.43 -0.16 -1.20 118.68 123.15 1nd3 s LEU 131 Ca 0.04 -0.17 0.08 0.00 -1.03 0.00 0.00 54.13 53.05 1nd3 s LEU 131 Cb -0.15 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1nd3 s LEU 131 CO -0.02 -0.04 -0.21 0.00 0.23 0.00 0.00 176.35 176.30 1nd3 s ALA 132 N 1.65 1.83 -0.18 4.21 0.00 -0.24 -0.64 121.76 128.38 1nd3 s ALA 132 Ca 0.06 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 1nd3 s ALA 132 Cb -0.15 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 1nd3 s ALA 132 CO 0.05 0.41 -0.08 -0.47 0.00 0.00 0.00 175.76 175.67 1nd3 s TYR 133 N -0.82 2.90 -0.36 0.00 5.04 0.28 -1.10 117.35 123.29 1nd3 s TYR 133 Ca 0.08 -0.86 -0.09 0.00 -2.44 0.00 0.00 57.07 53.75 1nd3 s TYR 133 Cb -0.09 -2.00 0.03 0.00 0.35 0.00 0.00 41.96 40.25 1nd3 s TYR 133 CO 0.02 -0.43 0.17 0.99 -1.34 0.00 0.00 175.55 174.96 1nd3 s THR 134 N 1.04 4.34 0.82 4.34 2.01 0.41 -2.14 115.64 126.47 1nd3 s THR 134 Ca -0.00 -0.89 -0.13 0.00 0.31 0.00 0.00 61.69 60.99 1nd3 s THR 134 Cb -0.15 -3.41 0.09 0.00 0.01 0.00 0.00 72.50 69.05 1nd3 s THR 134 CO -0.01 -0.18 1.20 -2.84 -0.69 0.00 0.00 174.62 172.10 1nd3 s PRO 135 N 1.52 1.53 1.35 4.92 0.02 -1.26 -1.99 135.00 141.08 1nd3 s PRO 135 Ca 0.01 1.74 -0.20 0.00 0.02 0.00 0.00 61.00 62.57 1nd3 s PRO 135 Cb -0.19 -1.76 0.33 0.00 0.02 0.00 0.00 34.50 32.90 1nd3 s PRO 135 CO 0.05 -2.29 0.82 -2.30 -0.33 0.00 0.00 177.00 172.94 1nd3 n PRO 136 N -3.44 -3.90 -0.63 5.54 -0.02 -1.26 -4.40 135.00 126.89 1nd3 n PRO 136 Ca 0.13 -1.15 0.00 0.00 -2.02 0.00 0.00 63.50 60.47 1nd3 n PRO 136 Cb 0.51 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 1nd3 n PRO 136 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nd3 n GLY 137 N 1.74 0.69 3.37 -1.23 0.00 -1.26 -5.03 105.19 103.47 1nd3 n GLY 137 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 1nd3 n GLY 137 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nd3 s ILE 138 N -2.07 0.04 0.97 -0.61 2.07 -1.26 -5.17 121.20 115.16 1nd3 s ILE 138 Ca 0.00 -0.31 -0.14 0.00 -1.41 0.00 0.00 60.65 58.80 1nd3 s ILE 138 Cb 0.00 -1.08 0.17 0.00 0.13 0.00 0.00 42.46 41.68 1nd3 s ILE 138 CO 0.00 -0.17 1.15 -0.83 -1.91 0.00 0.00 174.94 173.18 1nd3 s GLY 139 N -2.69 1.60 0.40 1.50 0.00 -1.26 -4.98 107.32 101.89 1nd3 s GLY 139 Ca 0.01 -0.64 -0.26 0.00 0.00 0.00 0.00 44.72 43.83 1nd3 s GLY 139 CO -0.11 -0.01 1.27 -1.59 0.00 0.00 0.00 173.10 172.66 1nd3 s LYS 140 N -5.33 3.99 0.38 2.90 -2.85 -1.26 -4.92 119.74 112.65 1nd3 s LYS 140 Ca 0.66 2.09 -0.28 0.00 -1.00 0.00 0.00 55.97 57.44 1nd3 s LYS 140 Cb -0.13 -2.75 -0.11 0.00 -2.06 0.00 0.00 37.83 32.78 1nd3 s LYS 140 CO 0.54 -0.45 1.45 -0.35 0.10 0.00 0.00 175.35 176.64 1nd3 n PRO 141 N 0.13 2.54 0.00 1.78 -0.04 -1.26 -4.91 135.00 133.25 1nd3 n PRO 141 Ca 0.04 0.89 0.12 0.00 -0.04 0.00 0.00 63.50 64.51 1nd3 n PRO 141 Cb 0.44 -2.60 0.15 0.00 -0.04 0.00 0.00 33.50 31.45 1nd3 n PRO 141 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1nd3 n ARG 142 N 0.42 1.80 -3.77 0.54 1.74 -1.26 -4.92 116.66 111.20 1nd3 n ARG 142 Ca 0.02 -1.42 -0.09 0.00 -0.77 0.00 0.00 57.85 55.59 1nd3 n ARG 142 Cb 0.38 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.32 1nd3 n ARG 142 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1nd3 s SER 143 N -2.18 -0.25 0.20 0.55 1.04 -1.26 -5.03 113.70 106.76 1nd3 s SER 143 Ca 0.26 -0.53 -0.09 0.00 0.48 0.00 0.00 55.95 56.07 1nd3 s SER 143 Cb 0.20 0.60 0.13 0.00 0.10 0.00 0.00 66.02 67.04 1nd3 s SER 143 CO 0.40 -1.09 1.76 -0.09 0.98 0.00 0.00 173.24 175.20 1nd3 h ARG 144 N 2.18 1.09 -0.54 4.02 2.43 -1.94 -0.90 114.38 120.72 1nd3 h ARG 144 Ca -0.28 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 58.71 1nd3 h ARG 144 Cb 1.26 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 1nd3 h ARG 144 CO 0.36 0.90 0.35 -0.22 -1.51 0.00 0.00 179.97 179.84 1nd3 h LYS 145 N 1.04 0.69 -0.35 0.20 3.64 -1.96 0.67 116.57 120.49 1nd3 h LYS 145 Ca 0.24 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1nd3 h LYS 145 Cb 0.22 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1nd3 h LYS 145 CO -0.02 0.45 -0.08 1.49 -2.27 0.00 0.00 179.45 179.02 1nd3 h GLU 146 N 0.71 0.59 -0.10 1.90 4.81 -1.89 -3.17 114.58 117.42 1nd3 h GLU 146 Ca 0.20 -0.17 -0.19 0.00 -0.13 0.00 0.00 59.36 59.08 1nd3 h GLU 146 Cb -0.06 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.27 1nd3 h GLU 146 CO -0.06 0.68 -0.67 0.00 -0.73 0.00 0.00 179.01 178.23 1nd3 h ALA 147 N 1.36 0.22 0.00 2.92 0.00 -0.41 -3.24 119.26 120.11 1nd3 h ALA 147 Ca 0.10 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1nd3 h ALA 147 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1nd3 h ALA 147 CO 0.03 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1nd3 n MET 148 N -4.08 0.19 0.06 0.00 0.00 0.16 -1.95 117.12 111.51 1nd3 n MET 148 Ca -0.08 0.15 0.13 0.00 0.00 0.00 0.00 57.70 57.90 1nd3 n MET 148 Cb 0.69 -1.50 0.48 0.00 0.00 0.00 0.00 33.22 32.89 1nd3 n MET 148 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1nd3 n LEU 149 N -1.26 0.44 0.00 3.17 4.77 -1.22 -4.80 117.00 118.10 1nd3 n LEU 149 Ca 0.06 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1nd3 n LEU 149 Cb 0.09 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1nd3 n LEU 149 CO 0.09 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 1nd3 n GLY 150 N 1.11 2.02 3.73 -0.72 0.00 -0.82 -5.05 105.19 105.47 1nd3 n GLY 150 Ca 0.05 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 1nd3 n GLY 150 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nd3 s THR 151 N 1.71 3.40 0.15 2.61 2.01 -0.91 -4.86 115.64 119.75 1nd3 s THR 151 Ca 0.00 1.11 -0.24 0.00 0.31 0.00 0.00 61.69 62.87 1nd3 s THR 151 Cb 0.00 -3.71 0.07 0.00 0.01 0.00 0.00 72.50 68.87 1nd3 s THR 151 CO 0.00 0.15 0.67 -1.38 -0.69 0.00 0.00 174.62 173.37 1nd3 s HIS 152 N 0.35 -0.45 -0.04 4.92 -0.00 -1.26 1.00 115.29 119.81 1nd3 s HIS 152 Ca 0.57 0.21 0.03 0.00 -0.00 0.00 0.00 55.06 55.88 1nd3 s HIS 152 Cb -0.35 0.58 0.00 0.00 -0.00 0.00 0.00 32.58 32.81 1nd3 s HIS 152 CO 0.35 -0.86 -0.14 0.08 -0.00 0.00 0.00 174.74 174.17 1nd3 s VAL 153 N -3.67 1.19 -0.32 -5.38 1.01 0.19 -4.99 120.40 108.44 1nd3 s VAL 153 Ca 0.03 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 1nd3 s VAL 153 Cb -0.02 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 1nd3 s VAL 153 CO -0.09 0.35 0.22 -0.69 0.00 0.00 0.00 175.10 174.89 1nd3 s VAL 154 N 0.20 5.27 -0.26 2.92 1.01 -1.26 -0.99 120.40 127.29 1nd3 s VAL 154 Ca -0.06 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.74 1nd3 s VAL 154 Cb -0.11 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1nd3 s VAL 154 CO 0.02 0.09 0.17 0.86 0.00 0.00 0.00 175.10 176.23 1nd3 s TRP 155 N 1.73 3.25 -0.29 5.22 -0.00 0.89 -4.95 118.94 124.78 1nd3 s TRP 155 Ca 0.06 0.13 -0.09 0.00 -0.00 0.00 0.00 56.10 56.21 1nd3 s TRP 155 Cb -0.17 -2.31 -0.01 0.00 -0.00 0.00 0.00 33.47 30.98 1nd3 s TRP 155 CO 0.11 -0.06 0.12 0.34 -0.00 0.00 0.00 176.95 177.45 1nd3 s ASP 156 N 1.40 5.40 0.17 5.86 2.15 -1.26 -1.20 116.67 129.19 1nd3 s ASP 156 Ca 0.07 -0.47 -0.30 0.00 0.43 0.00 0.00 52.55 52.28 1nd3 s ASP 156 Cb -0.15 -1.97 -0.08 0.00 -0.30 0.00 0.00 42.92 40.42 1nd3 s ASP 156 CO 0.07 -0.15 1.31 -0.69 -0.17 0.00 0.00 175.17 175.54 1nd3 s VAL 157 N 1.60 3.33 0.00 1.11 1.01 -0.55 -4.96 120.40 121.95 1nd3 s VAL 157 Ca 0.05 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.08 1nd3 s VAL 157 Cb -0.17 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1nd3 s VAL 157 CO 0.05 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.90 1nd3 n GLY 158 N 2.68 3.09 0.32 4.51 0.00 -1.26 -4.61 105.19 109.92 1nd3 n GLY 158 Ca 0.07 -0.44 0.09 0.00 0.00 0.00 0.00 46.02 45.75 1nd3 n GLY 158 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1nd3 h LEU 159 N 0.00 0.60 -8.98 0.99 3.38 -1.97 -3.34 115.31 105.99 1nd3 h LEU 159 Ca 0.00 0.10 -0.60 0.00 0.09 0.00 0.00 57.88 57.47 1nd3 h LEU 159 Cb 0.00 -0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.65 1nd3 h LEU 159 CO 0.00 0.23 0.42 -1.10 0.09 0.00 0.00 178.44 178.09 1nd3 s GLN 160 N -5.94 4.08 0.30 1.13 -0.21 -1.26 -4.93 119.66 112.83 1nd3 s GLN 160 Ca -0.12 0.76 0.25 0.00 0.02 0.00 0.00 55.36 56.27 1nd3 s GLN 160 Cb 0.23 -3.68 0.64 0.00 1.00 0.00 0.00 33.01 31.19 1nd3 s GLN 160 CO 0.79 -0.59 1.71 0.66 -2.12 0.00 0.00 175.29 175.74 1nd3 h SER 161 N 7.89 0.00 -4.04 5.90 4.64 -1.92 -3.47 113.55 122.55 1nd3 h SER 161 Ca -0.24 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.39 1nd3 h SER 161 Cb 1.10 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.96 1nd3 h SER 161 CO 0.87 0.00 -0.81 -0.89 -0.87 0.00 0.00 176.83 175.13 1nd3 s THR 162 N -3.15 2.74 0.16 2.95 2.01 -1.26 -1.67 115.64 117.42 1nd3 s THR 162 Ca 0.09 -1.14 0.07 0.00 0.31 0.00 0.00 61.69 61.03 1nd3 s THR 162 Cb 0.09 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 1nd3 s THR 162 CO 0.62 0.39 -0.15 0.54 -0.69 0.00 0.00 174.62 175.33 1nd3 s VAL 163 N -0.87 1.58 -0.03 3.82 0.11 -0.53 -4.96 120.40 119.51 1nd3 s VAL 163 Ca 0.14 -1.94 0.03 0.00 -2.93 0.00 0.00 61.98 57.28 1nd3 s VAL 163 Cb -0.10 -1.79 0.00 0.00 -1.53 0.00 0.00 36.38 32.96 1nd3 s VAL 163 CO 0.04 -0.46 -0.13 -0.44 -3.33 0.00 0.00 175.10 170.78 1nd3 s SER 164 N -2.81 1.62 -0.15 3.54 0.01 -1.26 -0.91 113.70 113.74 1nd3 s SER 164 Ca 0.15 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1nd3 s SER 164 Cb -0.03 -0.43 -0.00 0.00 0.21 0.00 0.00 66.02 65.76 1nd3 s SER 164 CO 0.05 0.10 -0.16 -0.22 0.41 0.00 0.00 173.24 173.43 1nd3 s LEU 165 N 0.12 2.46 -0.24 2.44 2.96 0.14 -4.97 118.68 121.59 1nd3 s LEU 165 Ca -0.03 -0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 53.30 1nd3 s LEU 165 Cb -0.10 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 1nd3 s LEU 165 CO 0.01 0.09 0.18 -0.69 -1.32 0.00 0.00 176.35 174.63 1nd3 s VAL 166 N 0.76 5.34 -0.61 1.68 1.01 -1.26 -0.95 120.40 126.37 1nd3 s VAL 166 Ca -0.06 0.22 -0.20 0.00 0.00 0.00 0.00 61.98 61.94 1nd3 s VAL 166 Cb -0.15 -3.52 0.09 0.00 0.00 0.00 0.00 36.38 32.80 1nd3 s VAL 166 CO 0.01 0.33 0.79 -0.69 0.00 0.00 0.00 175.10 175.54 1nd3 s VAL 167 N 1.12 4.65 0.64 2.92 1.01 0.43 -4.97 120.40 126.21 1nd3 s VAL 167 Ca 0.08 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 61.11 1nd3 s VAL 167 Cb -0.14 -4.55 -0.02 0.00 0.00 0.00 0.00 36.38 31.67 1nd3 s VAL 167 CO 0.05 -1.23 1.28 -2.84 0.00 0.00 0.00 175.10 172.35 1nd3 s PRO 168 N 3.15 2.64 -0.57 2.72 0.02 -1.26 -1.74 135.00 139.96 1nd3 s PRO 168 Ca 0.15 2.01 -0.28 0.00 0.02 0.00 0.00 61.00 62.90 1nd3 s PRO 168 Cb -0.22 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.46 1nd3 s PRO 168 CO 0.08 -1.52 1.39 -0.46 -0.33 0.00 0.00 177.00 176.17 1nd3 s TRP 169 N -1.44 2.31 -0.39 6.54 -0.11 -1.26 -4.89 118.94 119.70 1nd3 s TRP 169 Ca 0.82 0.46 0.02 0.00 1.22 0.00 0.00 56.10 58.61 1nd3 s TRP 169 Cb -0.36 -4.41 0.11 0.00 -1.50 0.00 0.00 33.47 27.32 1nd3 s TRP 169 CO 0.38 -1.95 0.14 0.42 -4.62 0.00 0.00 176.95 171.33 1nd3 s ILE 170 N 5.97 1.79 0.07 5.86 1.01 -1.26 -5.02 121.20 129.62 1nd3 s ILE 170 Ca 0.51 -2.34 -0.02 0.00 0.00 0.00 0.00 60.65 58.81 1nd3 s ILE 170 Cb -0.10 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1nd3 s ILE 170 CO 0.25 -0.72 0.01 -0.55 0.00 0.00 0.00 174.94 173.93 1nd3 s SER 171 N 0.74 0.41 -0.08 3.58 0.15 -1.26 -4.85 113.70 112.38 1nd3 s SER 171 Ca 0.13 -1.00 -0.26 0.00 0.70 0.00 0.00 55.95 55.53 1nd3 s SER 171 Cb -0.21 0.24 -0.26 0.00 -1.71 0.00 0.00 66.02 64.07 1nd3 s SER 171 CO -0.09 -0.64 0.91 0.00 1.20 0.00 0.00 173.24 174.61 1nd3 h ALA 172 N 3.05 -0.01 -2.45 5.45 0.00 -1.97 -3.46 119.26 119.87 1nd3 h ALA 172 Ca -0.34 -0.52 -0.52 0.00 0.00 0.00 0.00 54.91 53.53 1nd3 h ALA 172 Cb 1.16 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1nd3 h ALA 172 CO 0.63 0.10 -0.17 -1.54 0.00 0.00 0.00 179.25 178.27 1nd3 s SER 173 N -6.39 6.44 0.55 0.00 1.04 -1.26 -5.00 113.70 109.09 1nd3 s SER 173 Ca -0.17 0.67 0.24 0.00 0.48 0.00 0.00 55.95 57.17 1nd3 s SER 173 Cb -0.01 -2.13 1.56 0.00 0.10 0.00 0.00 66.02 65.55 1nd3 s SER 173 CO 0.74 -0.16 2.20 -0.61 0.98 0.00 0.00 173.24 176.38 1nd3 h GLN 174 N 1.78 0.00 -4.91 4.02 5.75 -1.98 -3.44 115.11 116.33 1nd3 h GLN 174 Ca -0.48 0.00 -0.38 0.00 -0.15 0.00 0.00 58.65 57.65 1nd3 h GLN 174 Cb 1.19 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.60 1nd3 h GLN 174 CO 0.67 0.01 -0.60 0.71 -2.65 0.00 0.00 178.83 176.97 1nd3 s TYR 175 N -4.78 1.58 0.10 3.99 1.51 -1.26 -4.75 117.35 113.74 1nd3 s TYR 175 Ca -0.05 -1.21 0.01 0.00 -1.01 0.00 0.00 57.07 54.81 1nd3 s TYR 175 Cb 0.16 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 41.04 1nd3 s TYR 175 CO 0.60 -0.35 -0.03 1.03 -1.11 0.00 0.00 175.55 175.69 1nd3 s ARG 176 N -3.97 0.82 0.32 -0.62 0.52 -0.46 -4.95 118.95 110.61 1nd3 s ARG 176 Ca 0.37 -1.34 -0.26 0.00 -0.52 0.00 0.00 55.73 53.98 1nd3 s ARG 176 Cb 0.07 -0.05 -0.10 0.00 0.52 0.00 0.00 34.95 35.39 1nd3 s ARG 176 CO 0.15 -0.08 0.94 -0.06 0.02 0.00 0.00 175.30 176.26 1nd3 s PHE 177 N -3.75 3.69 0.05 -0.53 0.40 -1.26 -0.90 117.98 115.68 1nd3 s PHE 177 Ca 0.13 1.78 0.11 0.00 -0.60 0.00 0.00 56.93 58.35 1nd3 s PHE 177 Cb 0.06 -2.92 -0.02 0.00 0.51 0.00 0.00 43.02 40.66 1nd3 s PHE 177 CO -0.04 0.21 1.39 1.79 0.70 0.00 0.00 175.22 179.27 1nd3 h THR 178 N 2.61 1.38 -3.91 0.64 1.35 -1.36 -3.45 112.91 110.16 1nd3 h THR 178 Ca -0.47 -2.82 -0.46 0.00 -0.55 0.00 0.00 66.41 62.11 1nd3 h THR 178 Cb 1.19 2.60 -0.02 0.00 -1.73 0.00 0.00 68.15 70.19 1nd3 h THR 178 CO 0.65 0.76 0.32 0.28 -0.25 0.00 0.00 175.52 177.27 1nd3 s THR 179 N -2.92 4.31 -0.80 6.82 -1.32 -1.26 -4.03 115.64 116.44 1nd3 s THR 179 Ca 0.02 1.65 -0.23 0.00 -1.21 0.00 0.00 61.69 61.92 1nd3 s THR 179 Cb 0.10 -3.85 -0.18 0.00 -1.51 0.00 0.00 72.50 67.05 1nd3 s THR 179 CO 0.78 -0.01 2.40 -2.65 -2.21 0.00 0.00 174.62 172.93 1nd3 n PRO 180 N 0.15 0.46 -3.78 7.08 -0.02 -1.26 -4.87 135.00 132.76 1nd3 n PRO 180 Ca 0.03 -0.34 -0.29 0.00 -2.02 0.00 0.00 63.50 60.88 1nd3 n PRO 180 Cb 0.52 -2.72 -0.16 0.00 -0.02 0.00 0.00 33.50 31.12 1nd3 n PRO 180 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1nd3 s ASP 181 N 8.44 3.40 0.08 2.55 -1.08 -1.26 -5.08 116.67 123.72 1nd3 s ASP 181 Ca 1.09 -1.11 -0.15 0.00 -0.52 0.00 0.00 52.55 51.86 1nd3 s ASP 181 Cb -0.46 -0.79 -0.03 0.00 -1.46 0.00 0.00 42.92 40.17 1nd3 s ASP 181 CO 0.29 -0.32 1.05 0.35 0.52 0.00 0.00 175.17 177.06 1nd3 n THR 182 N 4.92 -0.33 -0.26 1.71 -2.24 -1.26 -1.74 114.28 115.07 1nd3 n THR 182 Ca -0.08 1.63 0.07 0.00 -2.27 0.00 0.00 64.05 63.41 1nd3 n THR 182 Cb 0.45 -2.06 0.16 0.00 -2.10 0.00 0.00 70.33 66.78 1nd3 n THR 182 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nd3 n TYR 183 N -4.15 0.36 -1.65 4.78 -0.00 -1.26 0.66 117.16 115.91 1nd3 n TYR 183 Ca 0.01 0.90 -0.34 0.00 -0.00 0.00 0.00 57.90 58.48 1nd3 n TYR 183 Cb 0.13 -0.99 0.06 0.00 -0.00 0.00 0.00 39.34 38.53 1nd3 n TYR 183 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1nd3 n SER 184 N -5.13 7.04 -4.61 2.98 3.41 -0.71 -4.95 113.62 111.65 1nd3 n SER 184 Ca 0.14 -3.79 -0.42 0.00 -0.26 0.00 0.00 58.87 54.55 1nd3 n SER 184 Cb 0.46 -0.87 -0.05 0.00 -0.26 0.00 0.00 64.21 63.50 1nd3 n SER 184 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1nd3 s SER 185 N -2.05 6.65 0.00 4.04 0.15 0.21 -4.58 113.70 118.13 1nd3 s SER 185 Ca 0.59 0.64 0.27 0.00 0.70 0.00 0.00 55.95 58.15 1nd3 s SER 185 Cb 0.47 -2.40 1.47 0.00 -1.71 0.00 0.00 66.02 63.85 1nd3 s SER 185 CO -0.11 -0.61 1.93 0.00 1.20 0.00 0.00 173.24 175.66 1nd3 n ALA 186 N 6.18 2.41 0.00 5.45 0.00 -1.26 -4.67 120.51 128.62 1nd3 n ALA 186 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1nd3 n ALA 186 Cb 0.48 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1nd3 n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nd3 n GLY 187 N 0.85 -0.53 3.34 0.00 0.00 -1.26 -4.14 105.19 103.44 1nd3 n GLY 187 Ca 0.16 -2.20 -0.18 0.00 0.00 0.00 0.00 46.02 43.80 1nd3 n GLY 187 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nd3 s TYR 188 N 0.00 1.63 -0.12 1.61 2.02 -0.84 -0.99 117.35 120.65 1nd3 s TYR 188 Ca 0.00 -0.75 0.01 0.00 -0.37 0.00 0.00 57.07 55.96 1nd3 s TYR 188 Cb 0.00 -0.87 0.02 0.00 -0.40 0.00 0.00 41.96 40.70 1nd3 s TYR 188 CO 0.00 0.16 -0.16 0.42 -1.57 0.00 0.00 175.55 174.40 1nd3 s ILE 189 N -3.20 1.61 0.17 2.71 1.01 -0.47 -0.44 121.20 122.59 1nd3 s ILE 189 Ca 0.25 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 60.28 1nd3 s ILE 189 Cb 0.03 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 1nd3 s ILE 189 CO 0.07 0.46 -0.15 0.42 0.00 0.00 0.00 174.94 175.74 1nd3 s THR 190 N 1.08 1.65 -0.05 2.92 -4.23 -0.26 -1.80 115.64 114.95 1nd3 s THR 190 Ca -0.04 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.50 1nd3 s THR 190 Cb -0.14 -1.85 0.01 0.00 1.34 0.00 0.00 72.50 71.85 1nd3 s THR 190 CO -0.04 -0.47 -0.10 0.00 -0.54 0.00 0.00 174.62 173.47 1nd3 s TRP 192 N 0.57 1.01 -0.04 0.00 0.52 -0.34 0.77 118.94 121.42 1nd3 s TRP 192 Ca -0.11 -0.81 -0.30 0.00 0.02 0.00 0.00 56.10 54.91 1nd3 s TRP 192 Cb -0.14 -0.55 -0.03 0.00 -1.15 0.00 0.00 33.47 31.60 1nd3 s TRP 192 CO 0.02 -0.06 1.15 0.71 0.02 0.00 0.00 176.95 178.80 1nd3 s TYR 193 N -3.22 3.31 -0.05 -1.98 1.51 -0.72 -0.16 117.35 116.04 1nd3 s TYR 193 Ca 0.11 1.32 -0.13 0.00 -1.01 0.00 0.00 57.07 57.36 1nd3 s TYR 193 Cb 0.02 -3.36 -0.31 0.00 -0.11 0.00 0.00 41.96 38.20 1nd3 s TYR 193 CO -0.02 -1.04 0.70 0.37 -1.11 0.00 0.00 175.55 174.45 1nd3 h GLN 194 N 7.25 0.39 0.00 -0.62 5.75 -1.43 -3.38 115.11 123.07 1nd3 h GLN 194 Ca -0.35 -0.66 0.00 0.00 -0.15 0.00 0.00 58.65 57.49 1nd3 h GLN 194 Cb 1.17 0.25 0.00 0.00 1.07 0.00 0.00 27.48 29.97 1nd3 h GLN 194 CO 0.86 1.32 0.00 0.25 -2.65 0.00 0.00 178.83 178.60 1nd3 n THR 195 N -3.69 0.00 -3.80 2.39 -2.24 -1.15 -4.90 114.28 100.89 1nd3 n THR 195 Ca -0.24 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.50 1nd3 n THR 195 Cb 1.04 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.26 1nd3 n THR 195 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1nd3 s ASN 196 N 1.00 -0.20 -0.42 3.42 2.47 -1.26 -4.72 114.94 115.24 1nd3 s ASN 196 Ca 0.00 -0.52 -0.20 0.00 0.42 0.00 0.00 52.86 52.57 1nd3 s ASN 196 Cb 0.00 0.59 0.02 0.00 -1.45 0.00 0.00 41.25 40.41 1nd3 s ASN 196 CO 0.00 -1.10 0.58 0.12 -3.72 0.00 0.00 177.10 172.98 1nd3 s PHE 197 N -3.46 3.11 -0.05 0.43 2.19 -1.26 -3.98 117.98 114.97 1nd3 s PHE 197 Ca 0.12 -0.07 0.05 0.00 0.33 0.00 0.00 56.93 57.37 1nd3 s PHE 197 Cb -0.03 -3.17 -0.02 0.00 -1.31 0.00 0.00 43.02 38.49 1nd3 s PHE 197 CO 0.04 -0.77 -0.21 0.08 1.83 0.00 0.00 175.22 176.20 1nd3 s VAL 198 N 2.60 2.50 0.04 3.12 1.01 -0.67 -4.12 120.40 124.87 1nd3 s VAL 198 Ca 0.20 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1nd3 s VAL 198 Cb -0.15 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1nd3 s VAL 198 CO 0.17 0.58 -0.02 0.68 0.00 0.00 0.00 175.10 176.51 1nd3 s VAL 199 N -0.50 0.17 0.94 2.92 -7.23 -1.26 -1.14 120.40 114.30 1nd3 s VAL 199 Ca 0.06 -1.44 -0.14 0.00 -1.81 0.00 0.00 61.98 58.66 1nd3 s VAL 199 Cb -0.11 -1.04 0.21 0.00 0.56 0.00 0.00 36.38 35.99 1nd3 s VAL 199 CO 0.01 -0.79 1.29 -2.16 -0.31 0.00 0.00 175.10 173.14 1nd3 s PRO 200 N -2.98 0.62 0.78 4.82 0.04 -1.26 -5.02 135.00 131.99 1nd3 s PRO 200 Ca -0.02 -0.62 -0.11 0.00 0.04 0.00 0.00 61.00 60.29 1nd3 s PRO 200 Cb 0.01 -1.92 0.06 0.00 0.04 0.00 0.00 34.50 32.70 1nd3 s PRO 200 CO -0.07 -2.37 1.10 -1.25 0.04 0.00 0.00 177.00 174.45 1nd3 s PRO 201 N -5.81 2.18 -1.31 0.56 0.04 -1.26 -3.72 135.00 125.68 1nd3 s PRO 201 Ca 0.74 1.22 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 1nd3 s PRO 201 Cb -0.03 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1nd3 s PRO 201 CO 0.52 -1.70 0.41 0.09 0.04 0.00 0.00 177.00 176.36 1nd3 n ASN 202 N -3.50 -5.27 -4.07 6.66 3.02 -1.26 -5.02 115.26 105.83 1nd3 n ASN 202 Ca 0.09 -0.20 -0.20 0.00 -0.03 0.00 0.00 54.58 54.25 1nd3 n ASN 202 Cb 0.53 -4.15 -0.14 0.00 -0.61 0.00 0.00 39.78 35.40 1nd3 n ASN 202 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1nd3 s THR 203 N -3.03 0.89 0.08 3.41 2.01 -1.24 -5.10 115.64 112.65 1nd3 s THR 203 Ca 0.20 -0.60 -0.37 0.00 0.31 0.00 0.00 61.69 61.24 1nd3 s THR 203 Cb -0.09 -0.76 -0.17 0.00 0.01 0.00 0.00 72.50 71.48 1nd3 s THR 203 CO 0.25 0.16 1.25 -2.65 -0.69 0.00 0.00 174.62 172.94 1nd3 n PRO 204 N 2.56 0.89 -0.19 4.92 -0.02 -1.26 -4.84 135.00 137.06 1nd3 n PRO 204 Ca -0.15 0.32 0.03 0.00 -2.02 0.00 0.00 63.50 61.68 1nd3 n PRO 204 Cb 0.56 -1.90 0.11 0.00 -0.02 0.00 0.00 33.50 32.24 1nd3 n PRO 204 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1nd3 n ASN 205 N 2.24 1.78 -3.75 2.55 3.02 -1.26 -4.83 115.26 115.00 1nd3 n ASN 205 Ca 0.18 -2.14 -0.11 0.00 -0.03 0.00 0.00 54.58 52.49 1nd3 n ASN 205 Cb 0.18 -0.35 -0.07 0.00 -0.61 0.00 0.00 39.78 38.93 1nd3 n ASN 205 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1nd3 s THR 206 N -1.61 0.09 0.08 3.41 -4.23 -1.26 -4.13 115.64 107.99 1nd3 s THR 206 Ca 0.15 -0.74 -0.17 0.00 -1.18 0.00 0.00 61.69 59.75 1nd3 s THR 206 Cb 0.10 -1.03 0.04 0.00 1.34 0.00 0.00 72.50 72.94 1nd3 s THR 206 CO 0.07 -0.41 0.41 0.00 -0.54 0.00 0.00 174.62 174.15 1nd3 s ALA 207 N -2.92 -0.97 0.29 3.99 0.00 -0.74 -4.96 121.76 116.45 1nd3 s ALA 207 Ca -0.02 0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.14 1nd3 s ALA 207 Cb 0.00 0.51 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 1nd3 s ALA 207 CO -0.06 -0.55 0.37 -1.21 0.00 0.00 0.00 175.76 174.32 1nd3 s GLU 208 N -3.11 3.16 -0.01 0.00 0.41 -1.26 -0.10 118.70 117.79 1nd3 s GLU 208 Ca -0.01 -0.96 0.01 0.00 -0.41 0.00 0.00 54.97 53.59 1nd3 s GLU 208 Cb 0.01 -2.77 0.01 0.00 -1.78 0.00 0.00 34.13 29.60 1nd3 s GLU 208 CO -0.07 0.25 -0.01 1.41 -0.49 0.00 0.00 175.26 176.35 1nd3 s MET 209 N -4.04 0.19 -0.03 1.61 -2.45 -0.44 -1.19 119.30 112.95 1nd3 s MET 209 Ca 0.39 -0.01 -0.01 0.00 -1.25 0.00 0.00 55.69 54.81 1nd3 s MET 209 Cb -0.09 -0.27 -0.04 0.00 1.25 0.00 0.00 34.83 35.69 1nd3 s MET 209 CO 0.29 -0.03 0.05 -0.51 1.05 0.00 0.00 175.02 175.87 1nd3 s LEU 210 N 0.37 3.76 -0.09 4.11 1.43 -0.48 -1.76 118.68 126.02 1nd3 s LEU 210 Ca -0.03 0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 1nd3 s LEU 210 Cb -0.06 -2.08 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 1nd3 s LEU 210 CO -0.01 0.31 -0.23 0.00 0.23 0.00 0.00 176.35 176.65 1nd3 s PHE 212 N 0.22 2.36 -0.10 0.00 0.08 0.92 -0.58 117.98 120.88 1nd3 s PHE 212 Ca -0.15 -0.46 -0.15 0.00 0.12 0.00 0.00 56.93 56.28 1nd3 s PHE 212 Cb -0.17 -1.27 0.04 0.00 -0.57 0.00 0.00 43.02 41.05 1nd3 s PHE 212 CO 0.08 0.61 0.39 0.54 -0.10 0.00 0.00 175.22 176.74 1nd3 s VAL 213 N -2.60 0.02 0.27 -0.44 0.11 -0.91 -1.64 120.40 115.21 1nd3 s VAL 213 Ca 0.32 -0.15 -0.21 0.00 -2.93 0.00 0.00 61.98 59.00 1nd3 s VAL 213 Cb 0.01 -0.61 0.04 0.00 -1.53 0.00 0.00 36.38 34.28 1nd3 s VAL 213 CO 0.16 -0.08 0.80 -0.94 -3.33 0.00 0.00 175.10 171.71 1nd3 s SER 214 N -0.38 -0.18 0.08 3.54 1.04 -0.49 -2.80 113.70 114.50 1nd3 s SER 214 Ca -0.05 -0.67 0.02 0.00 0.48 0.00 0.00 55.95 55.73 1nd3 s SER 214 Cb -0.03 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 66.74 1nd3 s SER 214 CO 0.02 -1.30 0.14 -0.83 0.98 0.00 0.00 173.24 172.25 1nd3 s GLY 215 N -2.98 2.06 0.93 7.32 0.00 0.28 -0.05 107.32 114.88 1nd3 s GLY 215 Ca 0.13 -0.96 -0.12 0.00 0.00 0.00 0.00 44.72 43.77 1nd3 s GLY 215 CO 0.07 -0.94 1.26 0.00 0.00 0.00 0.00 173.10 173.49 1nd3 h LYS 217 N -1.44 0.00 -0.24 0.00 2.10 -2.00 -0.64 116.57 114.35 1nd3 h LYS 217 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1nd3 h LYS 217 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1nd3 h LYS 217 CO 0.33 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.38 1nd3 n ASP 218 N -3.40 2.94 -4.77 7.07 5.75 -1.26 -4.96 116.55 117.92 1nd3 n ASP 218 Ca 0.01 -1.92 -0.39 0.00 -0.01 0.00 0.00 54.79 52.48 1nd3 n ASP 218 Cb 0.35 -0.15 -0.01 0.00 -1.03 0.00 0.00 41.12 40.28 1nd3 n ASP 218 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1nd3 s PHE 219 N -1.70 2.93 -0.21 2.11 5.36 -0.25 -3.84 117.98 122.39 1nd3 s PHE 219 Ca 0.35 1.46 -0.27 0.00 -0.96 0.00 0.00 56.93 57.51 1nd3 s PHE 219 Cb 0.21 -3.58 0.09 0.00 -0.34 0.00 0.00 43.02 39.40 1nd3 s PHE 219 CO 0.31 -1.80 0.82 0.00 -1.46 0.00 0.00 175.22 173.08 1nd3 s LEU 221 N -0.20 2.76 0.02 0.00 1.43 -1.26 -1.41 118.68 120.02 1nd3 s LEU 221 Ca -0.02 -0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 52.26 1nd3 s LEU 221 Cb -0.03 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 44.74 1nd3 s LEU 221 CO 0.02 0.10 0.23 -0.60 0.23 0.00 0.00 176.35 176.33 1nd3 s ARG 222 N -2.83 0.68 -0.34 1.70 3.52 -0.05 -4.98 118.95 116.65 1nd3 s ARG 222 Ca 0.24 -0.48 -0.08 0.00 -0.13 0.00 0.00 55.73 55.28 1nd3 s ARG 222 Cb -0.08 0.29 0.01 0.00 -1.56 0.00 0.00 34.95 33.61 1nd3 s ARG 222 CO 0.13 -0.19 0.30 -0.12 -0.81 0.00 0.00 175.30 174.60 1nd3 n MET 223 N 0.90 -2.60 -1.70 5.12 1.56 -1.26 -1.40 117.12 117.73 1nd3 n MET 223 Ca -0.20 2.24 -0.42 0.00 -0.27 0.00 0.00 57.70 59.05 1nd3 n MET 223 Cb 0.58 -5.12 -0.00 0.00 2.15 0.00 0.00 33.22 30.83 1nd3 n MET 223 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1nd3 n ALA 224 N 0.11 1.37 -3.17 -5.12 0.00 -1.26 -0.86 120.51 111.57 1nd3 n ALA 224 Ca 0.06 0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.74 1nd3 n ALA 224 Cb 0.23 -2.27 -0.05 0.00 0.00 0.00 0.00 19.45 17.36 1nd3 n ALA 224 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1nd3 s ARG 225 N -1.99 1.42 0.47 0.00 1.70 0.86 -4.83 118.95 116.58 1nd3 s ARG 225 Ca 0.57 -1.08 -0.19 0.00 -0.47 0.00 0.00 55.73 54.56 1nd3 s ARG 225 Cb -0.54 0.48 -0.09 0.00 -0.57 0.00 0.00 34.95 34.22 1nd3 s ARG 225 CO 0.61 -0.59 0.97 -0.51 -1.08 0.00 0.00 175.30 174.71 1nd3 s ASP 226 N -2.95 6.75 0.36 -2.89 1.11 -1.26 -4.36 116.67 113.42 1nd3 s ASP 226 Ca 0.16 1.66 -0.10 0.00 0.18 0.00 0.00 52.55 54.45 1nd3 s ASP 226 Cb -0.00 -2.53 -0.07 0.00 1.07 0.00 0.00 42.92 41.39 1nd3 s ASP 226 CO 0.03 -0.50 0.71 0.28 1.18 0.00 0.00 175.17 176.87 1nd3 s THR 227 N -2.35 4.82 -0.46 -1.27 -1.32 -1.25 -4.83 115.64 108.98 1nd3 s THR 227 Ca 0.61 0.57 0.13 0.00 -1.21 0.00 0.00 61.69 61.79 1nd3 s THR 227 Cb -0.10 -3.70 0.38 0.00 -1.51 0.00 0.00 72.50 67.57 1nd3 s THR 227 CO 0.21 -0.40 1.30 -0.90 -2.21 0.00 0.00 174.62 172.62 1nd3 n ASP 228 N -1.01 3.25 -1.19 8.08 3.85 -1.26 -4.44 116.55 123.83 1nd3 n ASP 228 Ca 0.02 -2.54 0.11 0.00 -0.71 0.00 0.00 54.79 51.66 1nd3 n ASP 228 Cb 0.54 -0.37 0.28 0.00 -1.35 0.00 0.00 41.12 40.22 1nd3 n ASP 228 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1nd3 n LEU 229 N -0.17 3.47 -3.60 -2.12 4.77 -1.26 -4.90 117.00 113.19 1nd3 n LEU 229 Ca 0.15 -1.68 -0.15 0.00 -0.03 0.00 0.00 56.01 54.31 1nd3 n LEU 229 Cb 0.64 -0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 41.27 1nd3 n LEU 229 CO 0.10 0.84 0.44 -2.28 -1.33 0.00 0.00 177.39 175.16 1nd3 s HIS 230 N -1.22 -0.73 0.33 -1.77 2.46 -1.26 -5.15 115.29 107.94 1nd3 s HIS 230 Ca 0.43 1.65 0.01 0.00 0.47 0.00 0.00 55.06 57.61 1nd3 s HIS 230 Cb 0.23 0.32 -0.01 0.00 -0.13 0.00 0.00 32.58 32.99 1nd3 s HIS 230 CO 0.31 -0.44 0.39 -1.59 -2.47 0.00 0.00 174.74 170.93 1nd3 s LYS 231 N -0.12 1.81 -0.11 2.88 -2.85 -1.26 -4.92 119.74 115.17 1nd3 s LYS 231 Ca -0.03 -1.83 -0.03 0.00 -1.00 0.00 0.00 55.97 53.08 1nd3 s LYS 231 Cb -0.03 0.39 0.05 0.00 -2.06 0.00 0.00 37.83 36.18 1nd3 s LYS 231 CO 0.03 -0.72 0.07 -1.14 0.10 0.00 0.00 175.35 173.70 1nd3 s GLN 232 N -3.27 0.05 0.00 1.78 0.74 -1.26 -5.02 119.66 112.68 1nd3 s GLN 232 Ca 0.34 0.11 0.16 0.00 0.05 0.00 0.00 55.36 56.02 1nd3 s GLN 232 Cb 0.01 -1.25 0.32 0.00 1.10 0.00 0.00 33.01 33.19 1nd3 s GLN 232 CO 0.22 -0.51 1.24 0.25 -0.55 0.00 0.00 175.29 175.94 1nd3 n THR 233 N 5.27 0.58 -3.81 -0.34 -2.24 -1.26 -5.01 114.28 107.46 1nd3 n THR 233 Ca -0.05 -0.79 -0.05 0.00 -2.27 0.00 0.00 64.05 60.88 1nd3 n THR 233 Cb 0.49 0.86 -0.01 0.00 -2.10 0.00 0.00 70.33 69.58 1nd3 n THR 233 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1nd3 s GLY 234 N -1.17 -0.06 0.42 3.38 0.00 -1.26 -5.15 107.32 103.47 1nd3 s GLY 234 Ca 0.29 -0.20 -0.25 0.00 0.00 0.00 0.00 44.72 44.56 1nd3 s GLY 234 CO 0.23 0.16 1.22 2.56 0.00 0.00 0.00 173.10 177.27 1nd3 s PRO 235 N -3.28 3.95 -0.39 2.90 0.04 -1.26 -4.98 135.00 131.98 1nd3 s PRO 235 Ca 0.13 1.94 -0.16 0.00 0.04 0.00 0.00 61.00 62.95 1nd3 s PRO 235 Cb -0.04 -2.65 0.01 0.00 0.04 0.00 0.00 34.50 31.87 1nd3 s PRO 235 CO 0.06 -0.44 0.38 0.42 0.04 0.00 0.00 177.00 177.45 1nd3 s ILE 236 N -1.38 5.15 0.37 0.56 1.01 -1.26 -5.06 121.20 120.59 1nd3 s ILE 236 Ca 0.59 -0.29 0.07 0.00 0.00 0.00 0.00 60.65 61.02 1nd3 s ILE 236 Cb -0.33 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.19 1nd3 s ILE 236 CO 0.41 -0.28 0.45 0.42 0.00 0.00 0.00 174.94 175.94 1nd3 s THR 237 N 2.00 3.53 -2.00 2.92 -4.23 -1.26 -5.29 115.64 111.30 1nd3 s THR 237 Ca 0.10 -1.12 0.11 0.00 -1.18 0.00 0.00 61.69 59.61 1nd3 s THR 237 Cb -0.17 -3.21 0.31 0.00 1.34 0.00 0.00 72.50 70.77 1nd3 s THR 237 CO 0.12 -0.10 1.09 1.67 -0.54 0.00 0.00 174.62 176.86