#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c3t s HIS 2 N 0.00 3.49 0.09 2.13 3.76 -1.26 -5.12 115.29 118.38 3c3t s HIS 2 Ca 0.00 0.22 0.05 0.00 -0.15 0.00 0.00 55.06 55.19 3c3t s HIS 2 Cb 0.00 -1.74 -0.03 0.00 1.11 0.00 0.00 32.58 31.92 3c3t s HIS 2 CO 0.00 0.58 -0.14 -1.12 -0.85 0.00 0.00 174.74 173.21 3c3t s SER 3 N -2.55 1.82 -0.18 1.40 0.01 -1.26 -4.96 113.70 107.98 3c3t s SER 3 Ca 0.34 -0.69 -0.29 0.00 1.31 0.00 0.00 55.95 56.62 3c3t s SER 3 Cb -0.13 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 3c3t s SER 3 CO 0.27 -0.10 1.26 -0.22 0.41 0.00 0.00 173.24 174.86 3c3t s LEU 4 N -2.00 4.15 0.51 2.44 2.96 -1.26 -5.00 118.68 120.48 3c3t s LEU 4 Ca 0.02 1.63 -0.19 0.00 -0.22 0.00 0.00 54.13 55.37 3c3t s LEU 4 Cb -0.08 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.00 3c3t s LEU 4 CO 0.02 -0.79 1.04 -2.16 -1.32 0.00 0.00 176.35 173.15 3c3t s PRO 5 N 3.55 3.70 0.51 0.98 0.04 -1.26 -5.01 135.00 137.51 3c3t s PRO 5 Ca 0.54 1.32 -0.20 0.00 0.04 0.00 0.00 61.00 62.71 3c3t s PRO 5 Cb -0.21 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 3c3t s PRO 5 CO 0.15 -0.51 1.06 -0.51 0.04 0.00 0.00 177.00 177.23 3c3t s ASP 6 N -2.17 6.17 0.36 6.66 -0.00 -1.26 -5.01 116.67 121.42 3c3t s ASP 6 Ca 0.66 1.96 -0.26 0.00 -0.00 0.00 0.00 52.55 54.92 3c3t s ASP 6 Cb -0.16 -2.56 -0.09 0.00 -0.00 0.00 0.00 42.92 40.11 3c3t s ASP 6 CO 0.24 -0.90 1.07 -0.22 -0.00 0.00 0.00 175.17 175.35 3c3t s LEU 7 N -3.65 4.26 0.00 1.23 2.96 -1.26 -4.91 118.68 117.31 3c3t s LEU 7 Ca 0.68 2.12 0.01 0.00 -0.22 0.00 0.00 54.13 56.72 3c3t s LEU 7 Cb -0.18 -4.01 0.06 0.00 0.50 0.00 0.00 46.19 42.56 3c3t s LEU 7 CO 0.23 -0.40 0.90 -2.65 -1.32 0.00 0.00 176.35 173.11 3c3t n PRO 8 N 0.31 0.86 -2.25 0.98 -0.02 -1.26 -4.85 135.00 128.77 3c3t n PRO 8 Ca 0.03 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.48 3c3t n PRO 8 Cb 0.48 -1.02 0.01 0.00 -0.02 0.00 0.00 33.50 32.95 3c3t n PRO 8 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3c3t n TYR 9 N -0.52 -1.49 -3.64 6.00 4.11 -1.26 -5.07 117.16 115.30 3c3t n TYR 9 Ca 0.01 -0.77 -0.37 0.00 -0.00 0.00 0.00 57.90 56.77 3c3t n TYR 9 Cb 0.00 0.38 -0.06 0.00 -0.00 0.00 0.00 39.34 39.66 3c3t n TYR 9 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.86 177.02 3c3t s ASP 10 N -1.92 6.60 0.44 9.48 1.47 -1.26 -4.96 116.67 126.52 3c3t s ASP 10 Ca 0.07 0.71 0.28 0.00 1.18 0.00 0.00 52.55 54.79 3c3t s ASP 10 Cb -0.02 -2.18 1.34 0.00 -0.34 0.00 0.00 42.92 41.72 3c3t s ASP 10 CO 0.05 0.31 1.69 1.88 0.68 0.00 0.00 175.17 179.78 3c3t h TYR 11 N 5.15 0.50 -0.09 2.11 0.05 -1.97 2.13 116.97 124.85 3c3t h TYR 11 Ca -0.51 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.29 3c3t h TYR 11 Cb 1.21 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.82 3c3t h TYR 11 CO 0.71 -0.09 0.00 0.41 -1.05 0.00 0.00 178.16 178.14 3c3t n GLY 12 N -1.54 -0.16 0.31 3.88 0.00 -1.26 -4.21 105.19 102.21 3c3t n GLY 12 Ca 0.32 -0.34 0.20 0.00 0.00 0.00 0.00 46.02 46.21 3c3t n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c3t h ALA 13 N 3.99 1.01 -0.46 4.61 0.00 0.31 -2.93 119.26 125.80 3c3t h ALA 13 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3c3t h ALA 13 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3c3t h ALA 13 CO 0.00 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.54 3c3t n LEU 14 N -3.11 3.25 -4.77 0.00 4.77 -1.26 -4.51 117.00 111.38 3c3t n LEU 14 Ca -0.01 -1.48 -0.35 0.00 -0.03 0.00 0.00 56.01 54.13 3c3t n LEU 14 Cb 0.18 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 40.99 3c3t n LEU 14 CO 0.24 0.74 0.80 -1.61 -1.33 0.00 0.00 177.39 176.23 3c3t s GLU 15 N -1.40 3.17 0.00 3.23 0.41 -1.11 -1.71 118.70 121.29 3c3t s GLU 15 Ca 0.40 1.67 0.16 0.00 -0.41 0.00 0.00 54.97 56.79 3c3t s GLU 15 Cb 0.22 -1.97 0.54 0.00 -1.78 0.00 0.00 34.13 31.14 3c3t s GLU 15 CO 0.30 -1.01 1.41 -0.35 -0.49 0.00 0.00 175.26 175.12 3c3t n PRO 16 N -1.49 1.79 -0.14 0.39 -0.04 -1.26 -4.88 135.00 129.37 3c3t n PRO 16 Ca 0.12 -1.21 -0.10 0.00 -0.04 0.00 0.00 63.50 62.27 3c3t n PRO 16 Cb 0.51 -1.34 -0.02 0.00 -0.04 0.00 0.00 33.50 32.61 3c3t n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3c3t h HIS 17 N 2.18 0.78 -3.15 0.54 3.86 -1.69 -3.40 115.15 114.27 3c3t h HIS 17 Ca 0.00 -0.14 -0.49 0.00 -1.16 0.00 0.00 60.37 58.58 3c3t h HIS 17 Cb 0.49 -0.20 -0.40 0.00 1.06 0.00 0.00 27.41 28.35 3c3t h HIS 17 CO 0.17 0.80 -0.76 0.42 0.86 0.00 0.00 177.93 179.42 3c3t s ILE 18 N -4.97 0.19 0.72 2.45 1.01 -0.89 -4.82 121.20 114.89 3c3t s ILE 18 Ca -0.13 -0.35 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 3c3t s ILE 18 Cb 0.10 -0.79 0.03 0.00 0.01 0.00 0.00 42.46 41.81 3c3t s ILE 18 CO 0.80 -0.25 1.17 0.54 0.00 0.00 0.00 174.94 177.19 3c3t s ASN 19 N 2.01 4.46 0.39 3.58 2.20 -1.26 -3.52 114.94 122.80 3c3t s ASN 19 Ca 0.01 2.20 0.13 0.00 -0.94 0.00 0.00 52.86 54.26 3c3t s ASN 19 Cb -0.17 -2.57 0.95 0.00 -2.00 0.00 0.00 41.25 37.46 3c3t s ASN 19 CO -0.09 -2.08 1.89 0.00 -2.94 0.00 0.00 177.10 173.88 3c3t h ALA 20 N -0.29 2.00 -0.72 3.54 0.00 -1.88 -2.22 119.26 119.68 3c3t h ALA 20 Ca -0.47 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 3c3t h ALA 20 Cb 1.27 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3c3t h ALA 20 CO 0.51 -0.23 0.34 0.37 0.00 0.00 0.00 179.25 180.24 3c3t h GLN 21 N 0.54 1.05 -0.25 0.00 4.15 -1.91 -0.10 115.11 118.57 3c3t h GLN 21 Ca 0.42 -0.16 -0.06 0.00 0.77 0.00 0.00 58.65 59.62 3c3t h GLN 21 Cb 0.83 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 3c3t h GLN 21 CO -0.17 0.83 -0.07 0.82 -1.93 0.00 0.00 178.83 178.31 3c3t h ILE 22 N 1.01 1.29 -0.83 2.39 2.04 -1.78 -1.64 117.51 119.99 3c3t h ILE 22 Ca 0.25 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 65.01 3c3t h ILE 22 Cb 0.13 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 3c3t h ILE 22 CO -0.03 0.34 0.53 0.24 0.00 0.00 0.00 178.15 179.23 3c3t h MET 23 N 0.24 1.11 -0.20 2.37 2.86 -1.25 0.14 114.93 120.20 3c3t h MET 23 Ca 0.06 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 3c3t h MET 23 Cb 0.55 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3c3t h MET 23 CO 0.03 0.76 -0.05 0.37 1.06 0.00 0.00 176.91 179.07 3c3t h GLN 24 N 1.13 0.39 -0.17 1.72 4.15 -0.92 -2.02 115.11 119.39 3c3t h GLN 24 Ca 0.30 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 3c3t h GLN 24 Cb -0.09 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 3c3t h GLN 24 CO -0.06 0.65 0.05 -0.07 -1.93 0.00 0.00 178.83 177.46 3c3t h LEU 25 N 0.11 0.26 -0.76 -2.39 3.38 -1.07 -0.99 115.31 113.85 3c3t h LEU 25 Ca 0.05 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.87 3c3t h LEU 25 Cb 0.50 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 3c3t h LEU 25 CO 0.02 0.40 0.45 -0.74 0.09 0.00 0.00 178.44 178.67 3c3t h HIS 26 N 0.10 0.83 0.00 1.13 2.76 -0.73 -1.78 115.15 117.46 3c3t h HIS 26 Ca 0.06 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 3c3t h HIS 26 Cb 0.24 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 28.94 3c3t h HIS 26 CO 0.00 0.41 -0.28 1.25 -1.30 0.00 0.00 177.93 178.02 3c3t h HIS 27 N 0.83 0.00 0.00 5.26 -0.00 -1.33 -1.62 115.15 118.28 3c3t h HIS 27 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.71 3c3t h HIS 27 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.59 3c3t h HIS 27 CO -0.05 0.11 0.00 0.66 -0.00 0.00 0.00 177.93 178.65 3c3t h SER 28 N -1.00 0.00 0.00 3.26 4.64 -1.29 -3.00 113.55 116.16 3c3t h SER 28 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3c3t h SER 28 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3c3t h SER 28 CO -0.01 0.00 -0.18 0.29 -0.87 0.00 0.00 176.83 176.06 3c3t n LYS 29 N -2.52 0.10 0.31 4.77 4.76 -0.74 -4.51 118.16 120.31 3c3t n LYS 29 Ca 0.03 0.04 -0.16 0.00 -2.87 0.00 0.00 58.31 55.34 3c3t n LYS 29 Cb 0.32 -0.51 -0.09 0.00 -1.84 0.00 0.00 35.03 32.91 3c3t n LYS 29 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3c3t h HIS 30 N -0.18 -0.69 -0.75 2.13 3.86 -1.43 -1.54 115.15 116.55 3c3t h HIS 30 Ca 0.00 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 3c3t h HIS 30 Cb 0.18 0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.85 3c3t h HIS 30 CO -0.08 -0.40 0.35 1.25 0.86 0.00 0.00 177.93 179.91 3c3t h HIS 31 N -0.82 1.09 -0.64 2.45 -0.00 -1.31 -2.52 115.15 113.40 3c3t h HIS 31 Ca -0.08 -0.06 0.03 0.00 -0.00 0.00 0.00 60.37 60.26 3c3t h HIS 31 Cb 0.60 -0.33 -0.04 0.00 -0.00 0.00 0.00 27.41 27.64 3c3t h HIS 31 CO -0.02 0.81 0.39 0.00 -0.00 0.00 0.00 177.93 179.11 3c3t h ALA 32 N 1.17 0.83 -0.43 5.26 0.00 -1.50 -1.84 119.26 122.75 3c3t h ALA 32 Ca 0.25 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3c3t h ALA 32 Cb 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3c3t h ALA 32 CO -0.03 0.14 0.25 0.00 0.00 0.00 0.00 179.25 179.61 3c3t h ALA 33 N 1.28 0.55 -0.37 0.00 0.00 -0.91 -0.16 119.26 119.64 3c3t h ALA 33 Ca 0.26 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.20 3c3t h ALA 33 Cb 0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3c3t h ALA 33 CO -0.11 -0.07 0.14 1.88 0.00 0.00 0.00 179.25 181.10 3c3t h TYR 34 N 0.51 0.26 -0.21 0.00 0.99 -1.03 0.15 116.97 117.64 3c3t h TYR 34 Ca 0.17 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.91 3c3t h TYR 34 Cb 0.01 -0.06 -0.01 0.00 1.00 0.00 0.00 36.73 37.67 3c3t h TYR 34 CO -0.07 0.11 0.11 0.28 -0.00 0.00 0.00 178.16 178.59 3c3t h VAL 35 N 0.31 1.12 -0.16 -2.88 2.07 -0.95 0.16 116.25 115.93 3c3t h VAL 35 Ca 0.17 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 3c3t h VAL 35 Cb 0.13 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3c3t h VAL 35 CO -0.16 0.12 0.09 0.78 0.02 0.00 0.00 177.57 178.42 3c3t h ASN 36 N 0.22 0.19 0.09 0.57 2.35 -0.73 -1.66 115.58 116.61 3c3t h ASN 36 Ca 0.07 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3c3t h ASN 36 Cb 0.09 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3c3t h ASN 36 CO -0.01 0.20 -0.16 0.78 -1.65 0.00 0.00 177.43 176.59 3c3t h ASN 37 N 0.17 0.13 -0.19 5.81 -0.26 -0.58 -2.14 115.58 118.52 3c3t h ASN 37 Ca 0.06 -0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.73 3c3t h ASN 37 Cb 0.05 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.27 3c3t h ASN 37 CO -0.01 0.31 -0.03 0.25 -1.06 0.00 0.00 177.43 176.89 3c3t h LEU 38 N 0.14 0.35 -0.94 1.61 5.85 -0.31 -0.72 115.31 121.29 3c3t h LEU 38 Ca 0.03 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 3c3t h LEU 38 Cb 0.37 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 3c3t h LEU 38 CO 0.02 0.61 0.40 0.78 -0.34 0.00 0.00 178.44 179.91 3c3t h ASN 39 N 0.09 1.05 -0.34 1.25 2.35 -1.00 0.14 115.58 119.11 3c3t h ASN 39 Ca 0.05 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 3c3t h ASN 39 Cb 0.45 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3c3t h ASN 39 CO 0.01 0.88 0.08 0.58 -1.65 0.00 0.00 177.43 177.33 3c3t h VAL 40 N 1.15 1.22 -0.64 2.81 2.07 -1.29 -2.57 116.25 119.01 3c3t h VAL 40 Ca 0.28 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.96 3c3t h VAL 40 Cb 0.10 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3c3t h VAL 40 CO -0.04 0.25 0.06 0.74 0.02 0.00 0.00 177.57 178.61 3c3t h THR 41 N 0.39 1.26 -0.53 2.57 2.02 -0.71 -2.63 112.91 115.27 3c3t h THR 41 Ca 0.11 -1.08 -0.05 0.00 0.77 0.00 0.00 66.41 66.16 3c3t h THR 41 Cb 0.30 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3c3t h THR 41 CO 0.00 0.40 0.14 -0.33 0.37 0.00 0.00 175.52 176.11 3c3t h GLU 42 N 1.01 0.81 -0.59 6.66 5.08 -0.67 -0.85 114.58 126.03 3c3t h GLU 42 Ca 0.19 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 3c3t h GLU 42 Cb 0.49 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3c3t h GLU 42 CO 0.02 0.72 -0.00 1.49 -1.00 0.00 0.00 179.01 180.24 3c3t h GLU 43 N 0.78 1.04 -0.53 2.33 4.81 -1.27 -1.11 114.58 120.64 3c3t h GLU 43 Ca 0.18 -0.33 -0.10 0.00 -0.13 0.00 0.00 59.36 58.98 3c3t h GLU 43 Cb 0.27 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3c3t h GLU 43 CO -0.00 1.02 -0.05 0.87 -0.73 0.00 0.00 179.01 180.11 3c3t h LYS 44 N 0.95 0.97 -0.76 1.92 1.57 -1.09 -2.83 116.57 117.30 3c3t h LYS 44 Ca 0.17 -0.34 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 3c3t h LYS 44 Cb 0.55 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 3c3t h LYS 44 CO 0.03 1.00 0.28 -0.92 -0.57 0.00 0.00 179.45 179.28 3c3t h TYR 45 N 0.83 1.17 -0.90 -1.35 5.03 -0.88 -1.70 116.97 119.18 3c3t h TYR 45 Ca 0.14 -0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.36 3c3t h TYR 45 Cb 0.60 -0.35 -0.04 0.00 1.55 0.00 0.00 36.73 38.49 3c3t h TYR 45 CO 0.04 0.90 0.58 0.37 -1.32 0.00 0.00 178.16 178.73 3c3t h GLN 46 N 1.11 1.20 -0.33 1.82 5.75 -1.06 0.41 115.11 124.02 3c3t h GLN 46 Ca 0.25 -0.09 -0.05 0.00 -0.15 0.00 0.00 58.65 58.61 3c3t h GLN 46 Cb 0.24 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 3c3t h GLN 46 CO -0.02 0.81 0.00 0.93 -2.65 0.00 0.00 178.83 177.91 3c3t h GLU 47 N 1.23 0.58 -0.80 1.69 5.08 -1.21 -1.00 114.58 120.14 3c3t h GLU 47 Ca 0.33 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3c3t h GLU 47 Cb -0.11 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 3c3t h GLU 47 CO -0.07 0.70 0.51 0.00 -1.00 0.00 0.00 179.01 179.16 3c3t h ALA 48 N 0.85 1.02 -0.57 3.43 0.00 -0.86 -2.03 119.26 121.09 3c3t h ALA 48 Ca 0.09 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3c3t h ALA 48 Cb 0.44 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3c3t h ALA 48 CO 0.02 0.45 0.10 1.25 0.00 0.00 0.00 179.25 181.07 3c3t h LEU 49 N 1.09 0.90 -1.20 0.00 5.85 -0.75 0.49 115.31 121.70 3c3t h LEU 49 Ca 0.29 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3c3t h LEU 49 Cb -0.10 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 3c3t h LEU 49 CO -0.06 0.93 0.30 0.00 -0.34 0.00 0.00 178.44 179.27 3c3t h ALA 50 N 1.01 1.38 -0.01 1.25 0.00 -0.77 -2.00 119.26 120.12 3c3t h ALA 50 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3c3t h ALA 50 Cb 0.41 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3c3t h ALA 50 CO 0.01 0.49 -0.14 1.63 0.00 0.00 0.00 179.25 181.24 3c3t n LYS 51 N -4.36 0.80 -2.00 0.00 5.02 -0.80 -4.92 118.16 111.90 3c3t n LYS 51 Ca 0.06 -0.34 -0.15 0.00 -2.02 0.00 0.00 58.31 55.85 3c3t n LYS 51 Cb 0.12 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 3c3t n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3c3t n GLY 52 N 1.28 0.34 3.52 0.72 0.00 -0.39 -4.92 105.19 105.75 3c3t n GLY 52 Ca 0.14 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3c3t n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3c3t s ASP 53 N -2.50 6.43 0.24 1.61 3.68 0.03 -4.85 116.67 121.31 3c3t s ASP 53 Ca 0.00 -1.34 -0.04 0.00 2.13 0.00 0.00 52.55 53.30 3c3t s ASP 53 Cb 0.00 -2.52 0.26 0.00 -1.45 0.00 0.00 42.92 39.22 3c3t s ASP 53 CO 0.00 -1.47 1.75 0.58 0.13 0.00 0.00 175.17 176.16 3c3t h VAL 54 N 6.37 1.25 -0.33 1.11 2.07 -1.91 -2.35 116.25 122.46 3c3t h VAL 54 Ca 0.05 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 3c3t h VAL 54 Cb 1.03 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3c3t h VAL 54 CO 1.31 0.36 0.20 0.74 0.02 0.00 0.00 177.57 180.19 3c3t h THR 55 N 0.87 1.11 -0.44 2.57 2.02 -1.98 -1.48 112.91 115.58 3c3t h THR 55 Ca 0.18 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 3c3t h THR 55 Cb 0.41 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3c3t h THR 55 CO 0.01 0.11 0.09 0.00 0.37 0.00 0.00 175.52 176.10 3c3t h ALA 56 N 1.08 1.33 -0.66 6.16 0.00 -1.93 -0.60 119.26 124.65 3c3t h ALA 56 Ca 0.12 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3c3t h ALA 56 Cb 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3c3t h ALA 56 CO -0.02 0.47 0.16 1.96 0.00 0.00 0.00 179.25 181.82 3c3t h GLN 57 N 0.65 1.06 -0.04 0.00 4.20 -0.89 -2.31 115.11 117.77 3c3t h GLN 57 Ca 0.15 -0.25 -0.19 0.00 0.06 0.00 0.00 58.65 58.41 3c3t h GLN 57 Cb 0.27 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3c3t h GLN 57 CO -0.00 0.95 -0.79 0.82 -0.67 0.00 0.00 178.83 179.13 3c3t h ILE 58 N 0.98 1.42 -0.01 2.54 2.04 -0.97 -3.11 117.51 120.40 3c3t h ILE 58 Ca 0.21 -2.32 -0.08 0.00 1.00 0.00 0.00 64.86 63.67 3c3t h ILE 58 Cb 0.36 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 3c3t h ILE 58 CO 0.00 0.69 -0.36 0.00 0.00 0.00 0.00 178.15 178.48 3c3t h ALA 59 N 0.95 1.39 -0.00 1.87 0.00 -0.96 -2.85 119.26 119.67 3c3t h ALA 59 Ca -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3c3t h ALA 59 Cb 1.38 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3c3t h ALA 59 CO 0.13 0.46 -0.21 1.28 0.00 0.00 0.00 179.25 180.90 3c3t n LEU 60 N -4.11 0.35 -0.21 0.00 4.32 -0.88 -4.34 117.00 112.12 3c3t n LEU 60 Ca -0.02 0.15 0.01 0.00 -0.02 0.00 0.00 56.01 56.13 3c3t n LEU 60 Cb 0.40 -0.31 0.12 0.00 -1.62 0.00 0.00 43.42 42.01 3c3t n LEU 60 CO 0.39 0.08 1.00 1.56 -1.22 0.00 0.00 177.39 179.20 3c3t h GLN 61 N 0.21 0.43 -0.75 3.23 4.20 -1.44 -1.89 115.11 119.10 3c3t h GLN 61 Ca 0.00 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3c3t h GLN 61 Cb 0.46 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.10 3c3t h GLN 61 CO 0.00 0.29 0.40 -1.35 -0.67 0.00 0.00 178.83 177.50 3c3t h PRO 62 N 0.45 1.06 -0.34 1.46 0.11 -1.80 -1.12 132.00 131.81 3c3t h PRO 62 Ca 0.32 -0.13 -0.12 0.00 0.11 0.00 0.00 66.00 66.17 3c3t h PRO 62 Cb 0.39 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 3c3t h PRO 62 CO -0.30 0.80 -0.29 0.00 -0.21 0.00 0.00 178.00 177.99 3c3t h ALA 63 N 1.20 0.85 -0.16 -0.75 0.00 -1.77 -1.32 119.26 117.32 3c3t h ALA 63 Ca 0.26 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3c3t h ALA 63 Cb 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3c3t h ALA 63 CO -0.04 0.64 -0.19 1.25 0.00 0.00 0.00 179.25 180.91 3c3t h LEU 64 N 0.62 0.44 -0.50 0.00 6.46 -1.17 -1.60 115.31 119.56 3c3t h LEU 64 Ca 0.07 -0.50 -0.04 0.00 -0.12 0.00 0.00 57.88 57.29 3c3t h LEU 64 Cb 0.80 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.59 3c3t h LEU 64 CO 0.07 0.85 0.16 0.50 -0.62 0.00 0.00 178.44 179.40 3c3t h LYS 65 N 0.03 0.77 0.23 1.25 3.64 -1.19 0.51 116.57 121.82 3c3t h LYS 65 Ca 0.02 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3c3t h LYS 65 Cb 0.74 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3c3t h LYS 65 CO 0.05 0.72 -0.11 0.35 -2.27 0.00 0.00 179.45 178.18 3c3t h PHE 66 N 0.67 -0.29 0.01 1.91 3.04 -1.26 0.14 116.94 121.16 3c3t h PHE 66 Ca 0.16 -0.01 -0.26 0.00 3.98 0.00 0.00 57.97 61.84 3c3t h PHE 66 Cb 0.27 0.10 0.02 0.00 2.56 0.00 0.00 35.95 38.89 3c3t h PHE 66 CO 0.01 -0.03 -1.05 -0.91 -2.02 0.00 0.00 178.31 174.32 3c3t h ASN 67 N -0.53 0.85 -0.57 0.41 4.21 -1.31 0.18 115.58 118.82 3c3t h ASN 67 Ca -0.03 -0.69 -0.06 0.00 1.21 0.00 0.00 56.30 56.73 3c3t h ASN 67 Cb 0.40 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.31 3c3t h ASN 67 CO 0.05 1.49 0.12 1.23 -1.29 0.00 0.00 177.43 179.04 3c3t h GLY 68 N 0.54 1.00 1.09 2.83 0.00 -0.05 -1.18 103.07 107.29 3c3t h GLY 68 Ca -0.13 -0.64 -0.11 0.00 0.00 0.00 0.00 47.33 46.45 3c3t h GLY 68 CO 0.20 0.59 -0.11 -1.33 0.00 0.00 0.00 176.54 175.90 3c3t h GLY 69 N 0.83 1.10 0.90 4.60 0.00 -0.72 -1.68 103.07 108.10 3c3t h GLY 69 Ca 0.18 -0.90 0.03 0.00 0.00 0.00 0.00 47.33 46.64 3c3t h GLY 69 CO 0.00 0.82 0.49 -1.33 0.00 0.00 0.00 176.54 176.52 3c3t h GLY 70 N 0.89 1.10 0.79 4.60 0.00 -0.62 0.45 103.07 110.29 3c3t h GLY 70 Ca 0.14 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3c3t h GLY 70 CO 0.05 0.33 0.02 0.84 0.00 0.00 0.00 176.54 177.78 3c3t h HIS 71 N 0.97 0.21 0.14 5.60 6.17 -1.03 -2.49 115.15 124.72 3c3t h HIS 71 Ca 0.30 -0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.34 3c3t h HIS 71 Cb -0.01 -0.06 0.00 0.00 2.52 0.00 0.00 27.41 29.86 3c3t h HIS 71 CO -0.03 0.39 -0.07 0.82 0.71 0.00 0.00 177.93 179.75 3c3t h ILE 72 N -0.04 0.89 -0.33 6.26 2.04 -1.01 -1.98 117.51 123.34 3c3t h ILE 72 Ca 0.04 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.82 3c3t h ILE 72 Cb 0.30 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3c3t h ILE 72 CO 0.00 0.03 0.13 0.78 0.00 0.00 0.00 178.15 179.09 3c3t h ASN 73 N -0.24 0.15 0.01 1.72 2.35 -0.95 -2.74 115.58 115.87 3c3t h ASN 73 Ca -0.02 0.03 -0.14 0.00 -0.55 0.00 0.00 56.30 55.62 3c3t h ASN 73 Cb 0.19 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3c3t h ASN 73 CO 0.03 0.13 -0.45 0.45 -1.65 0.00 0.00 177.43 175.94 3c3t h HIS 74 N 0.28 0.64 -0.91 1.19 3.86 -1.45 -1.37 115.15 117.38 3c3t h HIS 74 Ca 0.14 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 3c3t h HIS 74 Cb 0.10 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.39 3c3t h HIS 74 CO -0.13 0.88 0.58 0.77 0.86 0.00 0.00 177.93 180.90 3c3t h SER 75 N 0.43 1.07 -0.15 2.45 0.02 -1.19 -1.54 113.55 114.64 3c3t h SER 75 Ca 0.03 -0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 60.80 3c3t h SER 75 Cb 0.95 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.23 3c3t h SER 75 CO 0.08 0.79 -0.44 0.40 -1.14 0.00 0.00 176.83 176.53 3c3t h ILE 76 N 1.25 1.35 -0.36 3.27 2.04 -1.38 -3.29 117.51 120.39 3c3t h ILE 76 Ca 0.33 -1.71 0.07 0.00 1.00 0.00 0.00 64.86 64.56 3c3t h ILE 76 Cb -0.11 2.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.93 3c3t h ILE 76 CO -0.07 0.52 -0.12 0.15 0.00 0.00 0.00 178.15 178.64 3c3t h PHE 77 N 0.19 -0.26 -0.90 1.37 3.57 -0.70 -1.62 116.94 118.58 3c3t h PHE 77 Ca -0.01 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.63 3c3t h PHE 77 Cb 1.06 0.17 -0.07 0.00 2.79 0.00 0.00 35.95 39.90 3c3t h PHE 77 CO 0.10 -0.19 0.58 -1.49 -2.23 0.00 0.00 178.31 175.09 3c3t h TRP 78 N -0.04 0.96 0.00 0.41 -0.00 -1.38 -0.52 115.95 115.38 3c3t h TRP 78 Ca 0.18 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 59.08 3c3t h TRP 78 Cb 0.31 -0.31 -0.00 0.00 -0.00 0.00 0.00 29.16 29.15 3c3t h TRP 78 CO -0.35 0.43 -0.06 1.79 -0.00 0.00 0.00 178.44 180.25 3c3t h THR 79 N 0.87 0.11 0.00 1.49 1.35 -1.40 -3.07 112.91 112.27 3c3t h THR 79 Ca 0.43 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3c3t h THR 79 Cb 0.45 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3c3t h THR 79 CO -0.19 0.06 0.00 0.59 -0.25 0.00 0.00 175.52 175.73 3c3t n ASN 80 N -3.13 0.24 -4.60 5.36 5.03 -0.21 -4.76 115.26 113.19 3c3t n ASN 80 Ca 0.02 0.53 -0.26 0.00 0.87 0.00 0.00 54.58 55.75 3c3t n ASN 80 Cb 0.47 -0.59 -0.09 0.00 -1.02 0.00 0.00 39.78 38.55 3c3t n ASN 80 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3c3t s LEU 81 N -3.47 3.08 -0.27 3.41 1.43 -1.14 0.14 118.68 121.87 3c3t s LEU 81 Ca 0.11 -0.56 -0.25 0.00 -1.03 0.00 0.00 54.13 52.40 3c3t s LEU 81 Cb 0.15 -1.72 0.10 0.00 0.03 0.00 0.00 46.19 44.76 3c3t s LEU 81 CO 0.50 0.08 0.93 -0.55 0.23 0.00 0.00 176.35 177.53 3c3t s SER 82 N -3.03 -0.55 0.20 2.29 0.15 0.23 -4.62 113.70 108.37 3c3t s SER 82 Ca 0.27 1.04 0.19 0.00 0.70 0.00 0.00 55.95 58.14 3c3t s SER 82 Cb -0.08 1.04 0.85 0.00 -1.71 0.00 0.00 66.02 66.12 3c3t s SER 82 CO 0.17 -0.20 1.57 -0.81 1.20 0.00 0.00 173.24 175.17 3c3t n PRO 83 N 2.30 0.12 -0.31 5.44 -0.04 -1.26 -1.20 135.00 140.05 3c3t n PRO 83 Ca -0.13 0.46 0.08 0.00 -0.04 0.00 0.00 63.50 63.87 3c3t n PRO 83 Cb 0.56 -1.78 0.23 0.00 -0.04 0.00 0.00 33.50 32.46 3c3t n PRO 83 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3c3t n ASN 84 N -2.02 3.50 -2.78 3.54 3.02 -1.26 -4.99 115.26 114.27 3c3t n ASN 84 Ca 0.01 -2.19 0.00 0.00 -0.03 0.00 0.00 54.58 52.37 3c3t n ASN 84 Cb 0.14 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 3c3t n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3c3t n GLY 85 N 0.67 0.01 0.00 7.41 0.00 -0.34 -5.01 105.19 107.94 3c3t n GLY 85 Ca 0.17 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3c3t n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3c3t n GLY 86 N 5.00 0.16 7.00 -0.02 0.00 -0.26 -4.68 105.19 112.39 3c3t n GLY 86 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3c3t n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3c3t n GLY 87 N 0.03 -0.12 3.43 -0.02 0.00 -1.26 -4.84 105.19 102.42 3c3t n GLY 87 Ca 0.00 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.79 3c3t n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3c3t s GLU 88 N 0.00 1.56 0.57 1.61 2.02 -1.26 -5.02 118.70 118.17 3c3t s GLU 88 Ca 0.00 -1.74 -0.05 0.00 0.02 0.00 0.00 54.97 53.20 3c3t s GLU 88 Cb 0.00 -1.40 0.00 0.00 0.10 0.00 0.00 34.13 32.83 3c3t s GLU 88 CO 0.00 0.18 0.87 -1.25 0.02 0.00 0.00 175.26 175.08 3c3t s PRO 89 N -3.62 3.00 0.01 0.39 0.04 -1.26 -5.00 135.00 128.55 3c3t s PRO 89 Ca 0.28 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.30 3c3t s PRO 89 Cb -0.00 -2.31 -0.00 0.00 0.04 0.00 0.00 34.50 32.23 3c3t s PRO 89 CO 0.12 -0.61 0.00 0.36 0.04 0.00 0.00 177.00 176.91 3c3t n LYS 90 N -2.50 1.08 0.00 4.56 2.85 -1.26 -4.62 118.16 118.26 3c3t n LYS 90 Ca 0.04 -0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 3c3t n LYS 90 Cb 0.57 0.02 0.00 0.00 -0.65 0.00 0.00 35.03 34.98 3c3t n LYS 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3c3t n GLY 91 N 2.66 0.12 0.26 2.58 0.00 -1.26 -3.37 105.19 106.18 3c3t n GLY 91 Ca -0.00 -0.96 0.17 0.00 0.00 0.00 0.00 46.02 45.22 3c3t n GLY 91 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3c3t h GLU 92 N 0.00 0.00 -0.19 1.61 4.11 -1.99 -2.80 114.58 115.31 3c3t h GLU 92 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 3c3t h GLU 92 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3c3t h GLU 92 CO 0.00 0.00 0.04 1.25 0.07 0.00 0.00 179.01 180.37 3c3t h LEU 93 N 0.00 0.30 -0.43 3.06 6.46 -1.96 -0.48 115.31 122.26 3c3t h LEU 93 Ca 0.00 -0.24 0.06 0.00 -0.12 0.00 0.00 57.88 57.58 3c3t h LEU 93 Cb 0.44 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.24 3c3t h LEU 93 CO 0.00 0.46 0.15 0.25 -0.62 0.00 0.00 178.44 178.68 3c3t h LEU 94 N 0.12 0.15 -1.17 2.25 5.85 -1.50 -0.56 115.31 120.45 3c3t h LEU 94 Ca 0.06 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 3c3t h LEU 94 Cb 0.28 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3c3t h LEU 94 CO 0.00 0.12 -0.41 1.05 -0.34 0.00 0.00 178.44 178.86 3c3t h GLU 95 N 0.31 0.00 -0.56 1.25 4.11 -1.47 -0.73 114.58 117.49 3c3t h GLU 95 Ca 0.20 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.53 3c3t h GLU 95 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3c3t h GLU 95 CO -0.21 0.41 -0.04 0.00 0.07 0.00 0.00 179.01 179.24 3c3t h ALA 96 N 1.59 0.76 -0.47 1.06 0.00 -0.16 0.11 119.26 122.15 3c3t h ALA 96 Ca -0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 3c3t h ALA 96 Cb 0.75 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3c3t h ALA 96 CO 0.05 0.62 0.04 0.82 0.00 0.00 0.00 179.25 180.79 3c3t h ILE 97 N 0.90 1.25 -0.30 0.00 2.04 -0.57 0.70 117.51 121.53 3c3t h ILE 97 Ca 0.15 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 3c3t h ILE 97 Cb 0.60 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3c3t h ILE 97 CO 0.04 0.34 0.10 0.11 0.00 0.00 0.00 178.15 178.73 3c3t h LYS 98 N 0.65 0.47 -0.67 2.37 1.57 -0.95 0.25 116.57 120.26 3c3t h LYS 98 Ca 0.14 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3c3t h LYS 98 Cb 0.44 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3c3t h LYS 98 CO 0.02 0.51 0.39 -0.09 -0.57 0.00 0.00 179.45 179.71 3c3t h ARG 99 N 0.33 0.91 0.00 3.15 2.43 -0.63 0.67 114.38 121.24 3c3t h ARG 99 Ca 0.10 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 3c3t h ARG 99 Cb 0.24 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3c3t h ARG 99 CO -0.00 0.66 -1.31 -0.25 -1.51 0.00 0.00 179.97 177.56 3c3t n ASP 100 N -4.55 0.80 0.00 -3.80 8.00 0.23 -4.45 116.55 112.77 3c3t n ASP 100 Ca 0.05 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.89 3c3t n ASP 100 Cb 0.07 0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 3c3t n ASP 100 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3c3t n PHE 101 N -2.78 0.00 0.00 1.24 3.01 0.86 -5.03 117.46 114.76 3c3t n PHE 101 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.40 3c3t n PHE 101 Cb 0.73 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.20 3c3t n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3c3t n GLY 102 N 0.26 2.53 3.68 1.37 0.00 0.23 -4.53 105.19 108.73 3c3t n GLY 102 Ca 0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 3c3t n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3c3t s SER 103 N 0.00 -0.37 0.19 1.61 1.04 -1.26 -4.68 113.70 110.23 3c3t s SER 103 Ca 0.00 -0.39 -0.10 0.00 0.48 0.00 0.00 55.95 55.94 3c3t s SER 103 Cb 0.00 0.67 0.10 0.00 0.10 0.00 0.00 66.02 66.89 3c3t s SER 103 CO 0.00 -1.19 1.72 0.15 0.98 0.00 0.00 173.24 174.89 3c3t h PHE 104 N 2.01 1.07 -0.27 5.02 3.57 -1.91 -1.36 116.94 125.08 3c3t h PHE 104 Ca -0.25 -0.11 -0.09 0.00 3.53 0.00 0.00 57.97 61.05 3c3t h PHE 104 Cb 1.27 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 3c3t h PHE 104 CO 0.35 0.87 -0.21 -0.44 -2.23 0.00 0.00 178.31 176.66 3c3t h ASP 105 N 0.97 0.48 -0.50 0.41 5.19 -1.96 -0.83 116.42 120.18 3c3t h ASP 105 Ca 0.21 -0.15 -0.11 0.00 -0.62 0.00 0.00 57.03 56.36 3c3t h ASP 105 Cb 0.31 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.67 3c3t h ASP 105 CO -0.01 0.70 -0.13 0.11 -3.12 0.00 0.00 179.24 176.79 3c3t h LYS 106 N 0.44 0.97 -0.36 3.56 1.57 -1.78 -1.85 116.57 119.10 3c3t h LYS 106 Ca 0.07 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3c3t h LYS 106 Cb 0.61 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3c3t h LYS 106 CO 0.04 1.05 0.23 0.35 -0.57 0.00 0.00 179.45 180.55 3c3t h PHE 107 N 0.82 0.46 -0.79 -1.35 3.57 -0.82 -1.05 116.94 117.79 3c3t h PHE 107 Ca 0.12 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.67 3c3t h PHE 107 Cb 0.70 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 3c3t h PHE 107 CO 0.05 0.30 0.50 0.87 -2.23 0.00 0.00 178.31 177.80 3c3t h LYS 108 N 0.49 0.93 -0.23 1.11 1.57 -0.95 -0.91 116.57 118.58 3c3t h LYS 108 Ca 0.13 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3c3t h LYS 108 Cb -0.04 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 3c3t h LYS 108 CO -0.03 0.62 0.09 1.49 -0.57 0.00 0.00 179.45 181.05 3c3t h GLU 109 N 0.96 0.35 -0.01 3.15 4.81 -0.95 -0.23 114.58 122.66 3c3t h GLU 109 Ca 0.32 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.51 3c3t h GLU 109 Cb 0.04 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3c3t h GLU 109 CO -0.12 0.39 -0.11 0.87 -0.73 0.00 0.00 179.01 179.31 3c3t h LYS 110 N 0.23 -0.17 -0.08 1.92 6.56 -0.72 0.95 116.57 125.26 3c3t h LYS 110 Ca 0.08 0.01 -0.09 0.00 -1.06 0.00 0.00 60.65 59.59 3c3t h LYS 110 Cb 0.17 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.86 3c3t h LYS 110 CO -0.01 -0.11 -0.34 1.25 -2.06 0.00 0.00 179.45 178.18 3c3t h LEU 111 N -0.18 0.15 -0.37 2.94 5.85 -1.13 -1.55 115.31 121.02 3c3t h LEU 111 Ca 0.04 -0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.54 3c3t h LEU 111 Cb 0.23 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 3c3t h LEU 111 CO -0.11 0.49 -0.43 0.74 -0.34 0.00 0.00 178.44 178.79 3c3t h THR 112 N 0.13 1.27 -0.47 1.05 2.02 -0.65 -1.39 112.91 114.87 3c3t h THR 112 Ca 0.02 -1.61 -0.07 0.00 0.77 0.00 0.00 66.41 65.52 3c3t h THR 112 Cb 0.67 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 3c3t h THR 112 CO 0.05 0.54 0.03 0.00 0.37 0.00 0.00 175.52 176.51 3c3t h ALA 113 N 0.76 0.62 -0.61 6.16 0.00 -0.55 -0.30 119.26 125.34 3c3t h ALA 113 Ca 0.05 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3c3t h ALA 113 Cb 1.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3c3t h ALA 113 CO 0.10 0.39 0.19 0.00 0.00 0.00 0.00 179.25 179.93 3c3t h ALA 114 N 0.93 0.80 -0.16 0.00 0.00 -1.23 -0.74 119.26 118.86 3c3t h ALA 114 Ca 0.14 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3c3t h ALA 114 Cb 0.45 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3c3t h ALA 114 CO 0.02 0.47 -0.09 0.77 0.00 0.00 0.00 179.25 180.42 3c3t h SER 115 N 0.87 0.35 0.35 0.00 0.02 -1.06 -3.14 113.55 110.94 3c3t h SER 115 Ca 0.20 -0.42 -0.10 0.00 -0.84 0.00 0.00 61.79 60.63 3c3t h SER 115 Cb 0.29 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3c3t h SER 115 CO -0.01 0.70 -0.42 0.58 -1.14 0.00 0.00 176.83 176.54 3c3t h VAL 116 N 0.01 1.31 0.00 2.27 2.07 -1.04 -3.00 116.25 117.87 3c3t h VAL 116 Ca 0.03 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.07 3c3t h VAL 116 Cb 0.57 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3c3t h VAL 116 CO 0.03 0.43 0.00 0.61 0.02 0.00 0.00 177.57 178.66 3c3t n GLY 117 N -0.26 -0.80 3.68 2.17 0.00 -0.29 -4.81 105.19 104.87 3c3t n GLY 117 Ca -0.02 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3c3t n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3c3t s VAL 118 N -2.00 3.88 -0.26 1.61 1.01 -1.14 -4.96 120.40 118.54 3c3t s VAL 118 Ca 0.33 1.18 -0.26 0.00 0.00 0.00 0.00 61.98 63.24 3c3t s VAL 118 Cb 0.15 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3c3t s VAL 118 CO 0.26 -0.04 0.89 -1.10 0.00 0.00 0.00 175.10 175.10 3c3t s GLN 119 N 2.92 4.15 2.96 2.72 -0.21 -1.26 -4.80 119.66 126.14 3c3t s GLN 119 Ca 0.63 0.98 0.00 0.00 0.02 0.00 0.00 55.36 56.98 3c3t s GLN 119 Cb -0.29 -3.67 0.00 0.00 1.00 0.00 0.00 33.01 30.06 3c3t s GLN 119 CO 0.24 -0.60 0.00 0.41 -2.12 0.00 0.00 175.29 173.21 3c3t n GLY 120 N 3.75 -0.06 3.83 3.09 0.00 -1.26 -4.85 105.19 109.70 3c3t n GLY 120 Ca 0.07 -1.14 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 3c3t n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3c3t s SER 121 N -4.00 6.91 0.00 1.61 0.01 -1.26 -4.89 113.70 112.08 3c3t s SER 121 Ca 0.00 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.45 3c3t s SER 121 Cb 0.00 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.90 3c3t s SER 121 CO 0.00 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.35 3c3t n GLY 122 N 0.83 -1.07 3.01 3.44 0.00 -1.26 -0.35 105.19 109.79 3c3t n GLY 122 Ca -0.05 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 3c3t n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3c3t s TRP 123 N -3.00 0.40 -0.12 1.61 0.52 -0.08 -1.78 118.94 116.49 3c3t s TRP 123 Ca 0.00 -0.53 -0.01 0.00 0.02 0.00 0.00 56.10 55.58 3c3t s TRP 123 Cb 0.00 -0.26 -0.02 0.00 -1.15 0.00 0.00 33.47 32.03 3c3t s TRP 123 CO 0.00 -0.16 -0.09 0.20 0.02 0.00 0.00 176.95 176.92 3c3t s GLY 124 N -1.54 1.63 -0.08 0.98 0.00 -0.34 -1.21 107.32 106.76 3c3t s GLY 124 Ca -0.13 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 43.73 3c3t s GLY 124 CO -0.01 -0.32 -0.14 -0.98 0.00 0.00 0.00 173.10 171.66 3c3t s TRP 125 N -0.03 1.65 -0.23 1.90 0.52 0.29 -0.78 118.94 122.26 3c3t s TRP 125 Ca -0.01 -0.66 -0.20 0.00 0.02 0.00 0.00 56.10 55.25 3c3t s TRP 125 Cb -0.14 -1.20 -0.02 0.00 -1.15 0.00 0.00 33.47 30.96 3c3t s TRP 125 CO 0.03 -0.34 0.60 -1.17 0.02 0.00 0.00 176.95 176.10 3c3t s LEU 126 N 0.74 4.09 0.37 2.99 2.96 -0.70 0.08 118.68 129.21 3c3t s LEU 126 Ca -0.13 0.72 0.03 0.00 -0.22 0.00 0.00 54.13 54.54 3c3t s LEU 126 Cb -0.16 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.67 3c3t s LEU 126 CO 0.03 -0.31 0.10 -0.83 -1.32 0.00 0.00 176.35 174.02 3c3t s GLY 127 N 1.36 2.35 -0.13 7.98 0.00 0.94 -1.22 107.32 118.59 3c3t s GLY 127 Ca 0.26 -1.56 0.01 0.00 0.00 0.00 0.00 44.72 43.43 3c3t s GLY 127 CO 0.09 -1.80 -0.17 -0.12 0.00 0.00 0.00 173.10 171.10 3c3t s PHE 128 N -3.30 2.73 -0.54 1.90 5.36 0.11 -1.21 117.98 123.04 3c3t s PHE 128 Ca 0.29 -0.92 -0.18 0.00 -0.96 0.00 0.00 56.93 55.16 3c3t s PHE 128 Cb 0.05 -1.83 0.08 0.00 -0.34 0.00 0.00 43.02 40.98 3c3t s PHE 128 CO 0.15 -0.38 0.62 1.21 -1.46 0.00 0.00 175.22 175.35 3c3t s ASN 129 N 0.55 6.20 0.43 6.13 3.84 -0.60 -1.43 114.94 130.05 3c3t s ASN 129 Ca -0.10 -1.23 0.13 0.00 0.21 0.00 0.00 52.86 51.86 3c3t s ASN 129 Cb -0.16 -2.27 0.93 0.00 -0.55 0.00 0.00 41.25 39.20 3c3t s ASN 129 CO 0.04 -0.94 1.97 0.11 -2.79 0.00 0.00 177.10 175.49 3c3t h LYS 130 N 9.03 0.10 -0.06 0.43 1.57 -1.87 0.55 116.57 126.32 3c3t h LYS 130 Ca -0.29 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.46 3c3t h LYS 130 Cb 1.09 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 3c3t h LYS 130 CO 1.01 0.25 -0.02 1.49 -0.57 0.00 0.00 179.45 181.60 3c3t h GLU 131 N 0.10 0.12 0.00 3.15 4.81 -1.96 -3.29 114.58 117.50 3c3t h GLU 131 Ca 0.02 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3c3t h GLU 131 Cb 0.31 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 3c3t h GLU 131 CO 0.02 0.49 -0.88 0.00 -0.73 0.00 0.00 179.01 177.90 3c3t h ARG 132 N -0.26 0.00 -1.04 1.92 2.47 -1.96 -3.48 114.38 112.02 3c3t h ARG 132 Ca 0.01 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.64 3c3t h ARG 132 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 3c3t h ARG 132 CO 0.01 0.02 -0.13 0.41 0.56 0.00 0.00 179.97 180.84 3c3t n GLY 133 N 1.18 0.27 3.28 0.04 0.00 0.19 -5.05 105.19 105.10 3c3t n GLY 133 Ca -0.00 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 3c3t n GLY 133 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3c3t s HIS 134 N -2.44 0.87 0.58 1.61 -3.43 -1.17 -4.99 115.29 106.33 3c3t s HIS 134 Ca 0.03 -1.16 -0.15 0.00 -0.80 0.00 0.00 55.06 52.97 3c3t s HIS 134 Cb -0.01 -0.35 -0.05 0.00 -1.43 0.00 0.00 32.58 30.74 3c3t s HIS 134 CO 0.04 -0.69 1.03 -0.51 -2.00 0.00 0.00 174.74 172.61 3c3t s LEU 135 N -3.09 3.50 -0.19 5.38 1.43 -1.26 -1.55 118.68 122.89 3c3t s LEU 135 Ca 0.31 1.71 -0.19 0.00 -1.03 0.00 0.00 54.13 54.93 3c3t s LEU 135 Cb 0.05 -4.52 0.05 0.00 0.03 0.00 0.00 46.19 41.80 3c3t s LEU 135 CO 0.08 -0.99 0.53 -1.58 0.23 0.00 0.00 176.35 174.62 3c3t s GLN 136 N -4.19 0.63 -0.08 1.70 0.74 -0.35 -4.86 119.66 113.25 3c3t s GLN 136 Ca 0.61 0.71 -0.04 0.00 0.05 0.00 0.00 55.36 56.69 3c3t s GLN 136 Cb -0.14 0.31 -0.04 0.00 1.10 0.00 0.00 33.01 34.24 3c3t s GLN 136 CO 0.37 -0.08 0.11 0.42 -0.55 0.00 0.00 175.29 175.56 3c3t s ILE 137 N 0.21 5.14 0.05 -2.34 1.01 -1.26 -0.04 121.20 123.96 3c3t s ILE 137 Ca -0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.49 3c3t s ILE 137 Cb -0.04 -3.26 0.02 0.00 0.01 0.00 0.00 42.46 39.19 3c3t s ILE 137 CO 0.01 0.54 0.30 0.00 0.00 0.00 0.00 174.94 175.79 3c3t s ALA 138 N -1.06 -0.66 -0.03 9.38 0.00 0.11 -4.98 121.76 124.53 3c3t s ALA 138 Ca 0.17 -0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.17 3c3t s ALA 138 Cb -0.12 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 3c3t s ALA 138 CO 0.07 -0.42 -0.25 0.00 0.00 0.00 0.00 175.76 175.15 3c3t s ALA 139 N -2.66 2.12 -0.02 0.00 0.00 -1.26 0.10 121.76 120.05 3c3t s ALA 139 Ca -0.04 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 50.89 3c3t s ALA 139 Cb -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 3c3t s ALA 139 CO -0.04 0.50 -0.20 0.00 0.00 0.00 0.00 175.76 176.02 3c3t s PRO 141 N -0.42 4.55 3.76 0.00 0.04 -1.26 -0.90 135.00 140.76 3c3t s PRO 141 Ca 0.06 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.65 3c3t s PRO 141 Cb -0.08 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.52 3c3t s PRO 141 CO -0.00 0.20 0.00 0.09 0.04 0.00 0.00 177.00 177.33 3c3t n ASN 142 N 0.76 0.00 -0.59 6.66 3.02 0.52 -1.83 115.26 123.80 3c3t n ASN 142 Ca 0.01 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.61 3c3t n ASN 142 Cb 0.48 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.78 3c3t n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3c3t n GLN 143 N 14.00 2.59 -1.60 3.52 1.13 -1.26 -4.24 117.38 131.53 3c3t n GLN 143 Ca 0.00 -1.92 -0.49 0.00 -1.94 0.00 0.00 57.00 52.66 3c3t n GLN 143 Cb 0.00 -1.25 -0.05 0.00 0.11 0.00 0.00 30.24 29.05 3c3t n GLN 143 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3c3t n ASP 144 N 0.48 2.96 -4.76 1.08 9.92 -0.76 -3.94 116.55 121.52 3c3t n ASP 144 Ca 0.10 0.66 -0.36 0.00 -0.53 0.00 0.00 54.79 54.67 3c3t n ASP 144 Cb 0.40 -1.36 0.02 0.00 -0.64 0.00 0.00 41.12 39.54 3c3t n ASP 144 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3c3t s PRO 145 N 5.14 3.21 0.04 -0.24 0.04 -1.26 -4.72 135.00 137.20 3c3t s PRO 145 Ca 1.00 1.74 -0.31 0.00 0.04 0.00 0.00 61.00 63.46 3c3t s PRO 145 Cb -0.70 -2.00 -0.18 0.00 0.04 0.00 0.00 34.50 31.66 3c3t s PRO 145 CO 0.49 -1.00 1.37 1.25 0.04 0.00 0.00 177.00 179.16 3c3t h LEU 146 N 1.13 -0.83 -0.20 -3.56 5.85 -1.91 -2.91 115.31 112.88 3c3t h LEU 146 Ca -0.50 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 3c3t h LEU 146 Cb 1.28 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 3c3t h LEU 146 CO 0.56 -0.51 0.06 -0.61 -0.34 0.00 0.00 178.44 177.61 3c3t h GLN 147 N -1.13 0.30 -0.14 1.25 4.15 -1.86 0.46 115.11 118.15 3c3t h GLN 147 Ca -0.10 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.29 3c3t h GLN 147 Cb 0.78 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 3c3t h GLN 147 CO 0.17 0.40 0.10 0.78 -1.93 0.00 0.00 178.83 178.34 3c3t h GLY 148 N 0.15 0.04 0.00 2.39 0.00 -1.87 0.91 103.07 104.68 3c3t h GLY 148 Ca 0.06 -0.01 -0.15 0.00 0.00 0.00 0.00 47.33 47.23 3c3t h GLY 148 CO -0.00 0.01 -1.90 -1.30 0.00 0.00 0.00 176.54 173.35 3c3t n THR 149 N -4.50 0.57 -0.01 4.70 -2.24 -1.10 -4.73 114.28 106.97 3c3t n THR 149 Ca 0.00 -0.52 0.01 0.00 -2.27 0.00 0.00 64.05 61.28 3c3t n THR 149 Cb 0.20 -0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 68.12 3c3t n THR 149 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3c3t n THR 150 N -2.33 0.08 0.00 4.28 -2.24 0.15 -5.01 114.28 109.20 3c3t n THR 150 Ca -0.15 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3c3t n THR 150 Cb 0.74 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 3c3t n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3c3t n GLY 151 N 2.34 1.16 3.77 3.38 0.00 0.31 -5.00 105.19 111.16 3c3t n GLY 151 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3c3t n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3c3t s LEU 152 N 0.00 4.25 -0.18 0.99 1.43 -1.26 -4.82 118.68 119.10 3c3t s LEU 152 Ca 0.00 2.12 -0.23 0.00 -1.03 0.00 0.00 54.13 54.98 3c3t s LEU 152 Cb 0.00 -4.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.18 3c3t s LEU 152 CO 0.00 -0.41 0.75 -0.63 0.23 0.00 0.00 176.35 176.29 3c3t s ILE 153 N -1.51 4.94 0.19 -0.59 -1.09 -0.52 -2.82 121.20 119.80 3c3t s ILE 153 Ca 0.54 1.45 -0.30 0.00 -2.23 0.00 0.00 60.65 60.11 3c3t s ILE 153 Cb -0.25 -4.06 -0.09 0.00 -1.58 0.00 0.00 42.46 36.48 3c3t s ILE 153 CO 0.32 0.06 1.29 -2.16 -1.23 0.00 0.00 174.94 173.22 3c3t s PRO 154 N 2.02 4.41 -0.07 2.79 0.04 -1.26 0.04 135.00 142.97 3c3t s PRO 154 Ca 0.34 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.37 3c3t s PRO 154 Cb -0.16 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 3c3t s PRO 154 CO 0.12 -0.23 -0.09 1.28 0.04 0.00 0.00 177.00 178.12 3c3t n LEU 155 N 2.65 0.97 -3.74 -3.56 4.77 -0.36 -4.90 117.00 112.83 3c3t n LEU 155 Ca 0.06 0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 55.96 3c3t n LEU 155 Cb 0.43 -0.22 -0.15 0.00 -2.33 0.00 0.00 43.42 41.15 3c3t n LEU 155 CO 0.57 0.24 -0.27 -0.22 -1.33 0.00 0.00 177.39 176.38 3c3t s LEU 156 N -6.20 0.70 0.04 2.23 2.96 -0.96 -4.58 118.68 112.87 3c3t s LEU 156 Ca -0.10 0.21 0.08 0.00 -0.22 0.00 0.00 54.13 54.11 3c3t s LEU 156 Cb 0.04 0.19 -0.03 0.00 0.50 0.00 0.00 46.19 46.88 3c3t s LEU 156 CO 0.13 -0.16 -0.24 -0.83 -1.32 0.00 0.00 176.35 173.93 3c3t s GLY 157 N 1.33 1.45 -0.23 7.98 0.00 -1.26 -1.72 107.32 114.87 3c3t s GLY 157 Ca -0.07 -1.24 0.01 0.00 0.00 0.00 0.00 44.72 43.42 3c3t s GLY 157 CO -0.05 -1.12 -0.07 -0.42 0.00 0.00 0.00 173.10 171.45 3c3t s ILE 158 N -0.83 1.60 -0.27 0.90 1.01 0.04 -4.89 121.20 118.77 3c3t s ILE 158 Ca 0.12 -1.18 -0.29 0.00 0.00 0.00 0.00 60.65 59.30 3c3t s ILE 158 Cb -0.10 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.58 3c3t s ILE 158 CO 0.03 -0.02 1.14 -0.62 0.00 0.00 0.00 174.94 175.47 3c3t s ASP 159 N 1.38 6.93 -0.24 3.58 3.68 -1.26 -1.20 116.67 129.53 3c3t s ASP 159 Ca -0.05 1.27 0.13 0.00 2.13 0.00 0.00 52.55 56.03 3c3t s ASP 159 Cb -0.18 -2.54 0.53 0.00 -1.45 0.00 0.00 42.92 39.27 3c3t s ASP 159 CO -0.07 -0.85 1.47 1.33 0.13 0.00 0.00 175.17 177.19 3c3t n VAL 160 N 5.71 2.46 -2.45 1.11 0.24 -0.73 -4.84 118.33 119.82 3c3t n VAL 160 Ca 0.13 -2.28 -0.38 0.00 -2.04 0.00 0.00 64.34 59.77 3c3t n VAL 160 Cb 0.46 -0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.50 3c3t n VAL 160 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3c3t s TRP 161 N -3.05 3.26 0.44 6.34 0.52 -1.23 -4.43 118.94 120.79 3c3t s TRP 161 Ca 0.44 1.63 0.16 0.00 0.02 0.00 0.00 56.10 58.35 3c3t s TRP 161 Cb 0.38 -3.24 1.08 0.00 -1.15 0.00 0.00 33.47 30.54 3c3t s TRP 161 CO 0.05 -0.83 1.96 -0.44 0.02 0.00 0.00 176.95 177.71 3c3t h ASP 162 N 2.79 0.33 0.07 2.95 3.32 -1.93 0.12 116.42 124.07 3c3t h ASP 162 Ca -0.48 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3c3t h ASP 162 Cb 1.22 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3c3t h ASP 162 CO 0.63 0.19 0.00 0.00 -1.72 0.00 0.00 179.24 178.34 3c3t n HIS 163 N -4.46 0.00 0.90 4.55 1.44 -1.26 -0.46 115.22 115.93 3c3t n HIS 163 Ca 0.12 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.93 3c3t n HIS 163 Cb 0.47 -0.24 -0.05 0.00 0.12 0.00 0.00 29.99 30.29 3c3t n HIS 163 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3c3t n ALA 164 N -1.24 4.33 0.00 1.59 0.00 0.03 -4.70 120.51 120.52 3c3t n ALA 164 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3c3t n ALA 164 Cb 0.03 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3c3t n ALA 164 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3c3t n TYR 165 N -1.58 0.00 -0.21 0.00 4.11 -0.29 -5.00 117.16 114.19 3c3t n TYR 165 Ca 0.04 0.00 0.02 0.00 -0.00 0.00 0.00 57.90 57.95 3c3t n TYR 165 Cb 0.35 0.00 0.13 0.00 -0.00 0.00 0.00 39.34 39.82 3c3t n TYR 165 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 3c3t h TYR 166 N 0.00 0.21 -0.74 -3.48 3.20 -0.98 0.33 116.97 115.50 3c3t h TYR 166 Ca 0.00 0.04 0.16 0.00 3.14 0.00 0.00 58.73 62.07 3c3t h TYR 166 Cb 0.00 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 3c3t h TYR 166 CO 0.00 -0.05 0.50 -0.07 -1.64 0.00 0.00 178.16 176.90 3c3t h LEU 167 N 0.26 0.33 0.00 2.82 3.38 -1.90 0.16 115.31 120.35 3c3t h LEU 167 Ca 0.34 0.02 -0.41 0.00 0.09 0.00 0.00 57.88 57.92 3c3t h LEU 167 Cb 0.53 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 3c3t h LEU 167 CO -0.43 0.17 -2.50 1.67 0.09 0.00 0.00 178.44 177.43 3c3t n GLN 168 N -4.46 0.63 0.00 1.13 7.27 -0.55 -4.66 117.38 116.75 3c3t n GLN 168 Ca 0.14 0.18 0.08 0.00 0.07 0.00 0.00 57.00 57.47 3c3t n GLN 168 Cb 0.57 -1.51 0.06 0.00 2.41 0.00 0.00 30.24 31.77 3c3t n GLN 168 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3c3t n TYR 169 N -3.53 0.00 -1.47 3.69 4.02 0.10 -5.07 117.16 114.91 3c3t n TYR 169 Ca -0.48 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.41 3c3t n TYR 169 Cb 0.96 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.28 3c3t n TYR 169 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3c3t n LYS 170 N 0.85 0.00 0.00 -0.72 4.01 0.54 -1.90 118.16 120.94 3c3t n LYS 170 Ca 0.09 0.00 0.14 0.00 -0.51 0.00 0.00 58.31 58.03 3c3t n LYS 170 Cb 0.40 0.00 0.74 0.00 -0.51 0.00 0.00 35.03 35.66 3c3t n LYS 170 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 3c3t n ASN 171 N 2.21 0.00 -4.39 4.39 6.94 -1.26 -4.43 115.26 118.72 3c3t n ASN 171 Ca 0.00 -0.32 -0.44 0.00 -0.02 0.00 0.00 54.58 53.81 3c3t n ASN 171 Cb 0.00 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.21 3c3t n ASN 171 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 3c3t n VAL 172 N -1.21 4.23 -0.30 3.53 0.31 -0.80 -4.81 118.33 119.28 3c3t n VAL 172 Ca 0.15 -4.61 0.04 0.00 -0.01 0.00 0.00 64.34 59.91 3c3t n VAL 172 Cb 0.19 -2.44 0.24 0.00 -0.91 0.00 0.00 33.84 30.92 3c3t n VAL 172 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3c3t h ARG 173 N 6.97 0.99 -0.35 5.55 2.43 -1.83 -2.30 114.38 125.84 3c3t h ARG 173 Ca 0.34 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.49 3c3t h ARG 173 Cb 0.84 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 3c3t h ARG 173 CO 1.32 0.66 0.24 -1.35 -1.51 0.00 0.00 179.97 179.33 3c3t h PRO 174 N 1.02 0.32 -0.55 0.20 0.11 -1.97 -1.71 132.00 129.42 3c3t h PRO 174 Ca 0.39 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.38 3c3t h PRO 174 Cb 0.20 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 3c3t h PRO 174 CO -0.15 0.21 -0.06 -0.44 -0.21 0.00 0.00 178.00 177.35 3c3t h ASP 175 N 0.33 0.99 -0.26 -2.05 3.32 -1.80 -1.40 116.42 115.56 3c3t h ASP 175 Ca 0.15 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 3c3t h ASP 175 Cb 0.17 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3c3t h ASP 175 CO -0.03 1.08 0.11 0.22 -1.72 0.00 0.00 179.24 178.90 3c3t h TYR 176 N 0.90 0.38 -0.81 4.55 -0.00 -1.34 -1.74 116.97 118.91 3c3t h TYR 176 Ca 0.15 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.73 58.84 3c3t h TYR 176 Cb 0.61 -0.12 -0.04 0.00 -0.00 0.00 0.00 36.73 37.19 3c3t h TYR 176 CO 0.04 0.37 0.42 -0.07 -0.00 0.00 0.00 178.16 178.93 3c3t h LEU 177 N 0.27 1.02 -0.73 2.82 -0.00 -1.27 -0.93 115.31 116.50 3c3t h LEU 177 Ca 0.09 -0.10 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 3c3t h LEU 177 Cb 0.14 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 40.51 3c3t h LEU 177 CO -0.01 0.84 0.44 0.50 -0.00 0.00 0.00 178.44 180.21 3c3t h LYS 178 N 1.14 0.99 -0.09 1.13 3.64 -0.98 -3.05 116.57 119.35 3c3t h LYS 178 Ca 0.28 -0.09 -0.21 0.00 -1.27 0.00 0.00 60.65 59.37 3c3t h LYS 178 Cb 0.06 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3c3t h LYS 178 CO -0.04 0.70 -0.78 0.00 -2.27 0.00 0.00 179.45 177.05 3c3t h ALA 179 N 1.23 0.45 -0.01 5.00 0.00 -0.73 -3.31 119.26 121.90 3c3t h ALA 179 Ca 0.26 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 3c3t h ALA 179 Cb -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3c3t h ALA 179 CO -0.05 0.74 0.00 0.97 0.00 0.00 0.00 179.25 180.91 3c3t h ILE 180 N 0.37 1.00 -0.08 0.00 2.10 -1.07 -1.95 117.51 117.88 3c3t h ILE 180 Ca -0.05 -0.00 0.02 0.00 1.08 0.00 0.00 64.86 65.91 3c3t h ILE 180 Cb 1.39 0.99 -0.00 0.00 -1.09 0.00 0.00 36.82 38.11 3c3t h ILE 180 CO 0.15 0.00 0.13 -0.50 -1.08 0.00 0.00 178.15 176.85 3c3t h TRP 181 N 0.01 0.00 0.00 2.19 4.06 -1.64 -0.96 115.95 119.61 3c3t h TRP 181 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3c3t h TRP 181 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3c3t h TRP 181 CO 0.00 0.00 0.00 0.09 -3.56 0.00 0.00 178.44 174.97 3c3t n ASN 182 N -3.50 0.59 -0.14 -3.49 3.02 -0.73 -3.61 115.26 107.39 3c3t n ASN 182 Ca -0.01 0.59 0.07 0.00 -0.03 0.00 0.00 54.58 55.21 3c3t n ASN 182 Cb 0.23 -0.74 0.10 0.00 -0.61 0.00 0.00 39.78 38.76 3c3t n ASN 182 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3c3t n VAL 183 N -2.09 1.43 -2.39 2.41 0.24 -0.37 -2.89 118.33 114.67 3c3t n VAL 183 Ca 0.04 -1.71 -0.42 0.00 -2.04 0.00 0.00 64.34 60.21 3c3t n VAL 183 Cb 0.32 -0.02 -0.03 0.00 -1.47 0.00 0.00 33.84 32.64 3c3t n VAL 183 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3c3t s ILE 184 N -2.14 4.07 -1.04 1.34 -1.09 -1.19 -0.60 121.20 120.55 3c3t s ILE 184 Ca 0.23 1.43 -0.20 0.00 -2.23 0.00 0.00 60.65 59.88 3c3t s ILE 184 Cb 0.20 -3.92 0.09 0.00 -1.58 0.00 0.00 42.46 37.25 3c3t s ILE 184 CO 0.02 0.02 1.37 0.21 -1.23 0.00 0.00 174.94 175.33 3c3t s ASN 185 N 1.51 6.63 0.55 3.58 3.84 0.12 -1.10 114.94 130.07 3c3t s ASN 185 Ca 0.58 -1.90 0.30 0.00 0.21 0.00 0.00 52.86 52.05 3c3t s ASN 185 Cb -0.27 -2.50 1.58 0.00 -0.55 0.00 0.00 41.25 39.51 3c3t s ASN 185 CO 0.24 -1.25 2.11 -0.50 -2.79 0.00 0.00 177.10 174.91 3c3t h TRP 186 N 8.98 0.00 -0.16 0.43 4.06 -1.88 -2.01 115.95 125.37 3c3t h TRP 186 Ca 0.22 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 61.06 3c3t h TRP 186 Cb 0.99 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.14 3c3t h TRP 186 CO 1.24 0.09 -0.40 1.05 -3.56 0.00 0.00 178.44 176.86 3c3t h GLU 187 N 0.00 0.36 -0.19 0.49 4.11 -1.97 -0.12 114.58 117.26 3c3t h GLU 187 Ca -0.00 -0.17 -0.13 0.00 0.07 0.00 0.00 59.36 59.12 3c3t h GLU 187 Cb 0.29 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3c3t h GLU 187 CO 0.01 0.70 -0.41 -0.97 0.07 0.00 0.00 179.01 178.41 3c3t h ASN 188 N 0.30 0.68 -0.74 3.06 -0.73 -1.67 -1.34 115.58 115.14 3c3t h ASN 188 Ca 0.03 -0.56 -0.02 0.00 1.87 0.00 0.00 56.30 57.62 3c3t h ASN 188 Cb 0.83 -0.20 -0.04 0.00 0.27 0.00 0.00 38.32 39.19 3c3t h ASN 188 CO 0.07 1.12 0.40 0.58 -0.37 0.00 0.00 177.43 179.23 3c3t h VAL 189 N 0.28 1.23 -0.48 2.57 2.07 -1.30 -1.34 116.25 119.27 3c3t h VAL 189 Ca 0.00 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 3c3t h VAL 189 Cb 1.02 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3c3t h VAL 189 CO 0.09 0.26 0.10 0.74 0.02 0.00 0.00 177.57 178.78 3c3t h THR 190 N 1.05 1.24 0.21 2.57 2.02 -0.90 -1.12 112.91 117.98 3c3t h THR 190 Ca 0.26 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 3c3t h THR 190 Cb 0.04 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3c3t h THR 190 CO -0.04 0.31 -0.14 -0.33 0.37 0.00 0.00 175.52 175.69 3c3t h GLU 191 N 0.65 -0.33 -0.82 6.66 5.08 -0.71 0.11 114.58 125.23 3c3t h GLU 191 Ca 0.15 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.64 3c3t h GLU 191 Cb 0.35 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 3c3t h GLU 191 CO 0.00 -0.22 0.53 0.00 -1.00 0.00 0.00 179.01 178.33 3c3t h ARG 192 N -0.34 0.67 -0.18 2.33 3.08 -1.15 -0.59 114.38 118.20 3c3t h ARG 192 Ca -0.02 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 3c3t h ARG 192 Cb 0.29 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3c3t h ARG 192 CO 0.01 0.44 -0.42 -0.92 -1.07 0.00 0.00 179.97 178.01 3c3t h TYR 193 N 0.69 0.76 0.00 3.04 5.03 -0.62 -3.09 116.97 122.78 3c3t h TYR 193 Ca 0.39 -0.29 -0.04 0.00 2.58 0.00 0.00 58.73 61.37 3c3t h TYR 193 Cb 0.56 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.70 3c3t h TYR 193 CO -0.00 1.05 -0.17 0.52 -1.32 0.00 0.00 178.16 178.23 3c3t h MET 194 N 0.26 0.00 -0.06 1.82 2.86 -0.07 -2.65 114.93 117.09 3c3t h MET 194 Ca -0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 3c3t h MET 194 Cb 1.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 3c3t h MET 194 CO 0.09 0.17 -0.43 0.00 1.06 0.00 0.00 176.91 177.80 3c3t h ALA 195 N 1.83 1.17 -0.01 6.32 0.00 -1.05 -3.51 119.26 124.01 3c3t h ALA 195 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3c3t h ALA 195 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3c3t h ALA 195 CO 0.02 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.85