#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c3s s HIS 2 N 0.00 3.21 0.03 2.13 3.76 -1.26 -5.13 115.29 118.03 3c3s s HIS 2 Ca 0.00 -0.13 0.02 0.00 -0.15 0.00 0.00 55.06 54.79 3c3s s HIS 2 Cb 0.00 -1.69 -0.02 0.00 1.11 0.00 0.00 32.58 31.98 3c3s s HIS 2 CO 0.00 0.29 -0.07 -1.12 -0.85 0.00 0.00 174.74 172.99 3c3s s SER 3 N -4.01 0.76 -0.31 1.40 0.01 -1.26 -4.99 113.70 105.30 3c3s s SER 3 Ca 0.38 -0.47 -0.29 0.00 1.31 0.00 0.00 55.95 56.88 3c3s s SER 3 Cb -0.08 0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.17 3c3s s SER 3 CO 0.28 -0.17 1.44 -0.22 0.41 0.00 0.00 173.24 174.99 3c3s s LEU 4 N -1.33 3.79 0.49 2.44 2.96 -1.26 -4.97 118.68 120.79 3c3s s LEU 4 Ca -0.09 1.23 -0.22 0.00 -0.22 0.00 0.00 54.13 54.84 3c3s s LEU 4 Cb -0.09 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.00 3c3s s LEU 4 CO 0.00 -1.25 1.16 -2.16 -1.32 0.00 0.00 176.35 172.78 3c3s s PRO 5 N 4.57 3.63 0.63 0.98 0.04 -1.26 -5.00 135.00 138.60 3c3s s PRO 5 Ca 0.63 1.73 -0.16 0.00 0.04 0.00 0.00 61.00 63.24 3c3s s PRO 5 Cb -0.18 -2.28 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 3c3s s PRO 5 CO 0.28 -0.65 1.11 -0.51 0.04 0.00 0.00 177.00 177.27 3c3s s ASP 6 N -1.48 5.25 0.10 6.66 -0.00 -1.26 -5.00 116.67 120.95 3c3s s ASP 6 Ca 0.66 2.03 -0.26 0.00 -0.00 0.00 0.00 52.55 54.98 3c3s s ASP 6 Cb -0.27 -2.56 -0.06 0.00 -0.00 0.00 0.00 42.92 40.03 3c3s s ASP 6 CO 0.32 -1.53 0.81 -0.22 -0.00 0.00 0.00 175.17 174.55 3c3s s LEU 7 N -4.65 4.51 0.00 1.23 2.96 -1.26 -4.93 118.68 116.55 3c3s s LEU 7 Ca 0.68 1.59 0.04 0.00 -0.22 0.00 0.00 54.13 56.21 3c3s s LEU 7 Cb -0.21 -3.33 0.21 0.00 0.50 0.00 0.00 46.19 43.37 3c3s s LEU 7 CO 0.38 0.07 0.67 -2.65 -1.32 0.00 0.00 176.35 173.50 3c3s n PRO 8 N 2.35 0.47 -3.81 0.98 -0.02 -1.26 -4.77 135.00 128.93 3c3s n PRO 8 Ca -0.03 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.40 3c3s n PRO 8 Cb 0.49 -1.12 -0.00 0.00 -0.02 0.00 0.00 33.50 32.85 3c3s n PRO 8 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3c3s s TYR 9 N -2.00 -0.07 0.74 6.00 1.13 -1.26 -5.06 117.35 116.84 3c3s s TYR 9 Ca 0.05 -0.36 -0.11 0.00 -1.41 0.00 0.00 57.07 55.24 3c3s s TYR 9 Cb 0.02 0.70 0.04 0.00 -1.10 0.00 0.00 41.96 41.63 3c3s s TYR 9 CO 0.04 -1.08 1.08 0.34 -2.51 0.00 0.00 175.55 173.41 3c3s s ASP 10 N -3.04 4.89 0.41 -0.18 2.15 -1.26 -4.95 116.67 114.69 3c3s s ASP 10 Ca 0.14 1.62 0.08 0.00 0.43 0.00 0.00 52.55 54.82 3c3s s ASP 10 Cb -0.03 -2.42 0.86 0.00 -0.30 0.00 0.00 42.92 41.03 3c3s s ASP 10 CO 0.06 -1.76 2.02 1.88 -0.17 0.00 0.00 175.17 177.20 3c3s h TYR 11 N -0.94 0.41 -0.51 -5.34 0.05 -1.96 -2.59 116.97 106.09 3c3s h TYR 11 Ca -0.45 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.33 3c3s h TYR 11 Cb 1.23 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.84 3c3s h TYR 11 CO 0.57 0.33 0.00 0.41 -1.05 0.00 0.00 178.16 178.42 3c3s n GLY 12 N -1.28 2.16 0.18 3.88 0.00 -1.26 -4.14 105.19 104.73 3c3s n GLY 12 Ca 0.01 -0.66 0.14 0.00 0.00 0.00 0.00 46.02 45.51 3c3s n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c3s h ALA 13 N 3.79 1.00 -0.22 4.61 0.00 -1.81 -3.08 119.26 123.55 3c3s h ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3c3s h ALA 13 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3c3s h ALA 13 CO 0.19 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.72 3c3s n LEU 14 N -2.56 3.14 -4.74 0.00 4.77 -1.26 -4.56 117.00 111.79 3c3s n LEU 14 Ca 0.02 -1.22 -0.38 0.00 -0.03 0.00 0.00 56.01 54.40 3c3s n LEU 14 Cb 0.31 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.32 3c3s n LEU 14 CO 0.25 0.61 0.96 -0.62 -1.33 0.00 0.00 177.39 177.26 3c3s n GLU 15 N 1.35 1.50 0.00 3.23 -0.58 -1.17 -1.73 120.64 123.25 3c3s n GLU 15 Ca 0.17 0.56 0.14 0.00 -0.42 0.00 0.00 57.16 57.61 3c3s n GLU 15 Cb 0.59 -2.57 0.50 0.00 -0.57 0.00 0.00 31.44 29.39 3c3s n GLU 15 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3c3s n PRO 16 N -1.32 1.33 -0.26 3.49 -0.04 -1.26 -4.87 135.00 132.06 3c3s n PRO 16 Ca 0.12 -0.74 -0.03 0.00 -0.04 0.00 0.00 63.50 62.81 3c3s n PRO 16 Cb 0.46 -1.48 0.08 0.00 -0.04 0.00 0.00 33.50 32.51 3c3s n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3c3s h HIS 17 N 1.81 0.87 -2.99 0.54 3.86 -1.69 -3.38 115.15 114.17 3c3s h HIS 17 Ca 0.00 0.02 -0.50 0.00 -1.16 0.00 0.00 60.37 58.73 3c3s h HIS 17 Cb 0.48 -0.29 -0.40 0.00 1.06 0.00 0.00 27.41 28.26 3c3s h HIS 17 CO 0.00 0.50 -0.76 0.42 0.86 0.00 0.00 177.93 178.95 3c3s s ILE 18 N -6.12 0.08 0.65 2.45 1.01 -1.06 -4.81 121.20 113.41 3c3s s ILE 18 Ca -0.13 -0.54 -0.18 0.00 0.00 0.00 0.00 60.65 59.80 3c3s s ILE 18 Cb 0.15 -0.88 -0.01 0.00 0.01 0.00 0.00 42.46 41.74 3c3s s ILE 18 CO 0.77 -0.47 1.26 0.54 0.00 0.00 0.00 174.94 177.05 3c3s s ASN 19 N 2.04 4.65 0.43 3.58 2.20 -1.26 -3.63 114.94 122.95 3c3s s ASN 19 Ca 0.05 2.54 0.21 0.00 -0.94 0.00 0.00 52.86 54.72 3c3s s ASN 19 Cb -0.16 -2.61 1.17 0.00 -2.00 0.00 0.00 41.25 37.65 3c3s s ASN 19 CO -0.21 -1.97 1.80 0.00 -2.94 0.00 0.00 177.10 173.79 3c3s h ALA 20 N 0.48 2.36 -0.11 3.54 0.00 -1.89 -2.24 119.26 121.41 3c3s h ALA 20 Ca -0.50 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3c3s h ALA 20 Cb 1.32 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3c3s h ALA 20 CO 0.53 -0.72 0.06 0.37 0.00 0.00 0.00 179.25 179.49 3c3s h GLN 21 N 0.33 0.14 -0.02 0.00 4.15 -1.90 -0.21 115.11 117.60 3c3s h GLN 21 Ca 0.55 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.96 3c3s h GLN 21 Cb 1.52 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 29.18 3c3s h GLN 21 CO -0.22 0.14 0.01 0.82 -1.93 0.00 0.00 178.83 177.65 3c3s h ILE 22 N 0.11 1.07 -0.86 2.39 2.04 -1.78 -1.03 117.51 119.45 3c3s h ILE 22 Ca 0.04 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.74 3c3s h ILE 22 Cb 0.03 1.18 -0.06 0.00 -0.74 0.00 0.00 36.82 37.24 3c3s h ILE 22 CO -0.01 0.06 0.54 0.24 0.00 0.00 0.00 178.15 178.98 3c3s h MET 23 N -0.05 0.98 -0.26 2.37 2.86 -1.36 0.33 114.93 119.79 3c3s h MET 23 Ca 0.01 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 3c3s h MET 23 Cb 0.09 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 3c3s h MET 23 CO -0.00 0.65 -0.03 0.37 1.06 0.00 0.00 176.91 178.96 3c3s h GLN 24 N 1.01 0.49 -0.04 1.72 4.15 -0.86 -2.20 115.11 119.37 3c3s h GLN 24 Ca 0.37 -0.17 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 3c3s h GLN 24 Cb 0.12 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 3c3s h GLN 24 CO -0.16 0.68 0.01 -0.07 -1.93 0.00 0.00 178.83 177.36 3c3s h LEU 25 N 0.25 0.06 -0.57 -2.39 3.38 -0.65 -1.51 115.31 113.88 3c3s h LEU 25 Ca 0.07 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 57.88 3c3s h LEU 25 Cb 0.48 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 3c3s h LEU 25 CO 0.02 0.28 0.24 -0.74 0.09 0.00 0.00 178.44 178.33 3c3s h HIS 26 N -0.16 0.43 0.01 1.13 2.76 -0.38 -1.71 115.15 117.23 3c3s h HIS 26 Ca 0.01 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3c3s h HIS 26 Cb 0.24 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.10 3c3s h HIS 26 CO 0.01 0.15 -0.00 1.25 -1.30 0.00 0.00 177.93 178.03 3c3s h HIS 27 N 0.45 -0.01 0.00 5.26 -0.00 -1.41 -1.34 115.15 118.10 3c3s h HIS 27 Ca 0.28 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.65 3c3s h HIS 27 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.70 3c3s h HIS 27 CO -0.14 0.16 0.00 -1.13 -0.00 0.00 0.00 177.93 176.82 3c3s n SER 28 N -4.76 0.58 0.01 3.26 3.41 -0.57 -2.81 113.62 112.74 3c3s n SER 28 Ca -0.02 0.58 -0.02 0.00 -0.26 0.00 0.00 58.87 59.15 3c3s n SER 28 Cb 0.09 -0.73 -0.01 0.00 -0.26 0.00 0.00 64.21 63.30 3c3s n SER 28 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3c3s n LYS 29 N -2.07 0.10 0.25 4.33 4.76 -0.69 -4.51 118.16 120.33 3c3s n LYS 29 Ca 0.05 0.04 -0.15 0.00 -2.87 0.00 0.00 58.31 55.38 3c3s n LYS 29 Cb 0.35 -0.56 -0.08 0.00 -1.84 0.00 0.00 35.03 32.90 3c3s n LYS 29 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3c3s h HIS 30 N -0.19 -0.57 -0.73 2.13 3.86 -1.45 -1.32 115.15 116.87 3c3s h HIS 30 Ca 0.00 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 3c3s h HIS 30 Cb 0.19 0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.82 3c3s h HIS 30 CO -0.08 -0.28 0.23 1.25 0.86 0.00 0.00 177.93 179.91 3c3s h HIS 31 N -0.77 1.16 -0.89 2.45 -0.00 -1.25 -2.56 115.15 113.29 3c3s h HIS 31 Ca -0.06 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.37 60.18 3c3s h HIS 31 Cb 0.54 -0.34 -0.04 0.00 -0.00 0.00 0.00 27.41 27.57 3c3s h HIS 31 CO -0.01 0.91 0.50 0.00 -0.00 0.00 0.00 177.93 179.34 3c3s h ALA 32 N 1.17 1.14 -0.74 5.26 0.00 -1.51 -2.17 119.26 122.40 3c3s h ALA 32 Ca 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3c3s h ALA 32 Cb 0.29 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3c3s h ALA 32 CO -0.01 0.63 0.34 0.00 0.00 0.00 0.00 179.25 180.21 3c3s h ALA 33 N 1.27 0.95 -0.87 0.00 0.00 -0.86 -1.44 119.26 118.31 3c3s h ALA 33 Ca 0.31 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3c3s h ALA 33 Cb 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 3c3s h ALA 33 CO -0.05 0.53 0.48 1.88 0.00 0.00 0.00 179.25 182.09 3c3s h TYR 34 N 1.04 1.19 0.19 0.00 0.99 -1.07 0.81 116.97 120.12 3c3s h TYR 34 Ca 0.25 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.95 3c3s h TYR 34 Cb 0.14 -0.38 0.00 0.00 1.00 0.00 0.00 36.73 37.49 3c3s h TYR 34 CO 0.01 0.82 -0.09 0.28 -0.00 0.00 0.00 178.16 179.18 3c3s h VAL 35 N 1.21 0.92 -0.15 -2.88 2.07 -1.12 0.12 116.25 116.42 3c3s h VAL 35 Ca 0.31 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 67.19 3c3s h VAL 35 Cb 0.02 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 3c3s h VAL 35 CO -0.05 0.15 -0.11 0.78 0.02 0.00 0.00 177.57 178.36 3c3s h ASN 36 N -0.59 -0.37 -0.28 0.57 2.35 -1.14 -0.40 115.58 115.72 3c3s h ASN 36 Ca -0.03 0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 3c3s h ASN 36 Cb 0.44 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.98 3c3s h ASN 36 CO 0.04 -0.15 0.03 0.78 -1.65 0.00 0.00 177.43 176.48 3c3s h ASN 37 N -0.12 0.53 -0.49 5.81 -0.26 -0.85 -2.05 115.58 118.15 3c3s h ASN 37 Ca 0.10 -0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 3c3s h ASN 37 Cb 0.26 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.36 3c3s h ASN 37 CO -0.23 0.58 0.26 0.25 -1.06 0.00 0.00 177.43 177.23 3c3s h LEU 38 N 0.55 0.62 -0.61 1.61 5.85 -0.02 -0.90 115.31 122.42 3c3s h LEU 38 Ca 0.12 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 3c3s h LEU 38 Cb 0.30 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3c3s h LEU 38 CO 0.01 0.55 0.02 0.78 -0.34 0.00 0.00 178.44 179.46 3c3s h ASN 39 N 0.65 1.03 -0.59 1.25 2.35 -0.69 -0.63 115.58 118.95 3c3s h ASN 39 Ca 0.17 -0.30 -0.05 0.00 -0.55 0.00 0.00 56.30 55.57 3c3s h ASN 39 Cb 0.08 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 3c3s h ASN 39 CO -0.03 1.08 0.16 0.58 -1.65 0.00 0.00 177.43 177.57 3c3s h VAL 40 N 0.96 1.25 -0.61 2.81 2.07 -1.19 -2.28 116.25 119.26 3c3s h VAL 40 Ca 0.17 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.73 3c3s h VAL 40 Cb 0.54 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3c3s h VAL 40 CO 0.03 0.32 0.00 0.74 0.02 0.00 0.00 177.57 178.68 3c3s h THR 41 N 0.84 1.27 -0.53 2.57 2.02 -0.95 -2.70 112.91 115.42 3c3s h THR 41 Ca 0.19 -1.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.17 3c3s h THR 41 Cb 0.32 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3c3s h THR 41 CO -0.00 0.42 0.18 -0.33 0.37 0.00 0.00 175.52 176.16 3c3s h GLU 42 N 0.98 0.82 0.70 6.66 5.08 -0.97 -0.34 114.58 127.51 3c3s h GLU 42 Ca 0.17 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3c3s h GLU 42 Cb 0.56 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3c3s h GLU 42 CO 0.03 0.74 -0.36 1.49 -1.00 0.00 0.00 179.01 179.90 3c3s h GLU 43 N 0.73 -0.95 -0.59 2.33 4.81 -1.28 0.35 114.58 119.98 3c3s h GLU 43 Ca 0.17 0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.54 3c3s h GLU 43 Cb 0.25 0.21 -0.08 0.00 0.63 0.00 0.00 28.75 29.76 3c3s h GLU 43 CO -0.01 -0.63 -0.29 1.63 -0.73 0.00 0.00 179.01 178.98 3c3s n LYS 44 N -5.52 -0.20 0.02 1.92 5.02 -1.03 -2.53 118.16 115.84 3c3s n LYS 44 Ca -0.14 0.89 0.02 0.00 -2.02 0.00 0.00 58.31 57.07 3c3s n LYS 44 Cb 0.40 -1.32 0.38 0.00 -0.02 0.00 0.00 35.03 34.47 3c3s n LYS 44 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 3c3s h TYR 45 N 0.00 0.49 -0.34 2.13 5.03 -0.37 -2.15 116.97 121.75 3c3s h TYR 45 Ca 0.15 -0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.37 3c3s h TYR 45 Cb 0.29 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.40 3c3s h TYR 45 CO -0.56 0.40 -0.08 0.37 -1.32 0.00 0.00 178.16 176.97 3c3s h GLN 46 N 0.49 0.57 -0.24 1.82 5.75 -0.65 -1.54 115.11 121.31 3c3s h GLN 46 Ca 0.12 -0.16 -0.14 0.00 -0.15 0.00 0.00 58.65 58.32 3c3s h GLN 46 Cb 0.12 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.60 3c3s h GLN 46 CO -0.01 0.65 -0.40 0.93 -2.65 0.00 0.00 178.83 177.35 3c3s h GLU 47 N 0.53 0.70 -0.67 1.69 5.08 -1.16 -2.37 114.58 118.39 3c3s h GLU 47 Ca 0.10 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 3c3s h GLU 47 Cb 0.46 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3c3s h GLU 47 CO 0.02 1.05 0.24 0.00 -1.00 0.00 0.00 179.01 179.33 3c3s h ALA 48 N 0.65 0.87 -0.67 3.43 0.00 -1.28 -2.65 119.26 119.60 3c3s h ALA 48 Ca 0.02 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3c3s h ALA 48 Cb 1.00 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3c3s h ALA 48 CO 0.09 0.51 0.17 1.25 0.00 0.00 0.00 179.25 181.27 3c3s h LEU 49 N 0.95 1.02 -0.43 0.00 5.85 -1.29 0.30 115.31 121.70 3c3s h LEU 49 Ca 0.22 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3c3s h LEU 49 Cb 0.25 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3c3s h LEU 49 CO -0.01 0.98 0.28 0.00 -0.34 0.00 0.00 178.44 179.35 3c3s h ALA 50 N 1.07 0.55 0.00 1.25 0.00 -1.19 -2.10 119.26 118.84 3c3s h ALA 50 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3c3s h ALA 50 Cb 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3c3s h ALA 50 CO 0.00 -0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.87 3c3s n LYS 51 N -4.80 0.12 -1.21 0.00 5.02 -1.02 -4.90 118.16 111.38 3c3s n LYS 51 Ca 0.01 0.04 -0.07 0.00 -2.02 0.00 0.00 58.31 56.27 3c3s n LYS 51 Cb 0.03 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.51 3c3s n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3c3s n GLY 52 N 1.19 0.92 3.56 0.72 0.00 -0.50 -4.94 105.19 106.14 3c3s n GLY 52 Ca 0.08 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 3c3s n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3c3s s ASP 53 N -2.86 5.80 0.22 1.61 3.68 -0.03 -4.83 116.67 120.26 3c3s s ASP 53 Ca 0.00 -0.76 -0.08 0.00 2.13 0.00 0.00 52.55 53.84 3c3s s ASP 53 Cb 0.00 -2.56 0.18 0.00 -1.45 0.00 0.00 42.92 39.09 3c3s s ASP 53 CO 0.00 -2.12 1.81 0.58 0.13 0.00 0.00 175.17 175.58 3c3s h VAL 54 N 6.85 1.26 -0.44 1.11 2.07 -1.92 -2.52 116.25 122.66 3c3s h VAL 54 Ca 0.02 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3c3s h VAL 54 Cb 1.04 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3c3s h VAL 54 CO 1.30 0.31 0.28 0.74 0.02 0.00 0.00 177.57 180.22 3c3s h THR 55 N 1.18 1.13 -0.80 2.57 2.02 -1.98 -0.59 112.91 116.45 3c3s h THR 55 Ca 0.29 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 3c3s h THR 55 Cb 0.12 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 3c3s h THR 55 CO -0.04 0.12 0.40 0.00 0.37 0.00 0.00 175.52 176.38 3c3s h ALA 56 N 1.14 1.02 -0.45 6.16 0.00 -1.92 -1.05 119.26 124.17 3c3s h ALA 56 Ca 0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3c3s h ALA 56 Cb -0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3c3s h ALA 56 CO -0.03 0.57 0.28 1.96 0.00 0.00 0.00 179.25 182.03 3c3s h GLN 57 N 1.12 0.60 -0.13 0.00 4.20 -0.98 -1.50 115.11 118.41 3c3s h GLN 57 Ca 0.28 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.80 3c3s h GLN 57 Cb 0.09 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3c3s h GLN 57 CO -0.04 0.43 -0.49 0.82 -0.67 0.00 0.00 178.83 178.88 3c3s h ILE 58 N 0.60 1.33 0.00 2.54 2.04 -0.88 -2.54 117.51 120.60 3c3s h ILE 58 Ca 0.16 -1.72 -0.05 0.00 1.00 0.00 0.00 64.86 64.25 3c3s h ILE 58 Cb -0.02 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3c3s h ILE 58 CO -0.03 0.52 -0.25 0.00 0.00 0.00 0.00 178.15 178.39 3c3s h ALA 59 N 1.20 1.03 -0.00 1.87 0.00 -0.99 -3.08 119.26 119.29 3c3s h ALA 59 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3c3s h ALA 59 Cb 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3c3s h ALA 59 CO 0.08 0.31 -0.04 1.28 0.00 0.00 0.00 179.25 180.88 3c3s n LEU 60 N -3.44 0.19 0.07 0.00 4.32 -0.58 -4.40 117.00 113.15 3c3s n LEU 60 Ca -0.00 0.14 -0.20 0.00 -0.02 0.00 0.00 56.01 55.93 3c3s n LEU 60 Cb 0.43 -0.21 -0.11 0.00 -1.62 0.00 0.00 43.42 41.91 3c3s n LEU 60 CO 0.34 0.04 0.03 1.56 -1.22 0.00 0.00 177.39 178.13 3c3s h GLN 61 N 0.23 0.63 -0.11 3.23 4.20 -1.56 -2.57 115.11 119.15 3c3s h GLN 61 Ca 0.00 -0.75 -0.14 0.00 0.06 0.00 0.00 58.65 57.82 3c3s h GLN 61 Cb 0.28 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3c3s h GLN 61 CO 0.00 1.32 -0.55 -1.35 -0.67 0.00 0.00 178.83 177.58 3c3s h PRO 62 N 0.32 0.33 -0.60 1.46 0.11 -1.82 -1.52 132.00 130.28 3c3s h PRO 62 Ca -0.15 -0.21 -0.07 0.00 0.11 0.00 0.00 66.00 65.68 3c3s h PRO 62 Cb 1.78 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.89 3c3s h PRO 62 CO 0.21 0.80 0.08 0.00 -0.21 0.00 0.00 178.00 178.88 3c3s h ALA 63 N 1.16 1.00 0.17 -0.75 0.00 -1.80 -2.22 119.26 116.82 3c3s h ALA 63 Ca 0.00 -0.26 -0.31 0.00 0.00 0.00 0.00 54.91 54.34 3c3s h ALA 63 Cb 1.05 -0.23 0.03 0.00 0.00 0.00 0.00 17.79 18.63 3c3s h ALA 63 CO 0.09 0.63 -1.33 1.25 0.00 0.00 0.00 179.25 179.89 3c3s h LEU 64 N 0.93 0.74 0.18 0.00 6.46 -1.28 -2.22 115.31 120.12 3c3s h LEU 64 Ca 0.19 -0.75 -0.01 0.00 -0.12 0.00 0.00 57.88 57.19 3c3s h LEU 64 Cb 0.43 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 3c3s h LEU 64 CO 0.01 1.57 -0.09 0.50 -0.62 0.00 0.00 178.44 179.82 3c3s h LYS 65 N 0.17 -0.24 -0.26 1.25 3.64 -1.32 0.42 116.57 120.23 3c3s h LYS 65 Ca -0.20 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.23 3c3s h LYS 65 Cb 2.02 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.86 3c3s h LYS 65 CO 0.24 0.00 0.08 0.35 -2.27 0.00 0.00 179.45 177.85 3c3s h PHE 66 N -0.45 0.14 0.22 1.91 3.04 -1.47 0.23 116.94 120.55 3c3s h PHE 66 Ca -0.03 0.01 -0.32 0.00 3.98 0.00 0.00 57.97 61.62 3c3s h PHE 66 Cb 0.35 -0.02 0.03 0.00 2.56 0.00 0.00 35.95 38.86 3c3s h PHE 66 CO -0.00 0.06 -1.41 -0.91 -2.02 0.00 0.00 178.31 174.02 3c3s h ASN 67 N 0.19 0.72 -0.30 0.41 4.21 -1.43 -1.57 115.58 117.81 3c3s h ASN 67 Ca 0.12 -0.77 -0.02 0.00 1.21 0.00 0.00 56.30 56.84 3c3s h ASN 67 Cb 0.09 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.05 3c3s h ASN 67 CO -0.13 1.60 0.11 1.23 -1.29 0.00 0.00 177.43 178.95 3c3s h GLY 68 N 0.63 0.48 1.05 2.83 0.00 -0.13 -1.71 103.07 106.22 3c3s h GLY 68 Ca -0.22 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 3c3s h GLY 68 CO 0.25 0.25 0.10 -1.33 0.00 0.00 0.00 176.54 175.82 3c3s h GLY 69 N 0.33 1.11 0.40 4.60 0.00 -0.62 -1.15 103.07 107.74 3c3s h GLY 69 Ca 0.10 -0.74 0.08 0.00 0.00 0.00 0.00 47.33 46.76 3c3s h GLY 69 CO -0.01 0.69 0.08 -1.33 0.00 0.00 0.00 176.54 175.97 3c3s h GLY 70 N 0.94 0.54 0.95 4.60 0.00 -1.03 0.40 103.07 109.47 3c3s h GLY 70 Ca 0.19 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.44 3c3s h GLY 70 CO 0.01 -0.06 0.02 0.84 0.00 0.00 0.00 176.54 177.34 3c3s h HIS 71 N 0.21 0.77 0.31 5.60 6.17 -1.08 -2.03 115.15 125.10 3c3s h HIS 71 Ca 0.23 -0.13 -0.01 0.00 0.71 0.00 0.00 60.37 61.16 3c3s h HIS 71 Cb 0.30 -0.20 0.00 0.00 2.52 0.00 0.00 27.41 30.03 3c3s h HIS 71 CO -0.23 0.77 -0.15 0.82 0.71 0.00 0.00 177.93 179.86 3c3s h ILE 72 N 0.54 0.72 -0.14 6.26 2.04 -0.68 -1.84 117.51 124.40 3c3s h ILE 72 Ca 0.12 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.58 3c3s h ILE 72 Cb 0.45 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 3c3s h ILE 72 CO 0.02 0.09 -0.06 0.78 0.00 0.00 0.00 178.15 178.97 3c3s h ASN 73 N -0.65 -0.21 -0.13 1.72 2.35 -0.26 -2.56 115.58 115.84 3c3s h ASN 73 Ca -0.04 0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 3c3s h ASN 73 Cb 0.46 0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 3c3s h ASN 73 CO 0.07 -0.08 -0.15 0.45 -1.65 0.00 0.00 177.43 176.07 3c3s h HIS 74 N -0.04 0.55 -0.80 1.19 3.86 -1.43 -1.57 115.15 116.90 3c3s h HIS 74 Ca 0.08 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 3c3s h HIS 74 Cb 0.16 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 3c3s h HIS 74 CO -0.20 0.63 0.40 0.77 0.86 0.00 0.00 177.93 180.39 3c3s h SER 75 N 0.46 1.03 -0.20 2.45 0.02 -1.02 -2.10 113.55 114.19 3c3s h SER 75 Ca 0.08 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 3c3s h SER 75 Cb 0.53 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 3c3s h SER 75 CO 0.03 0.86 -0.24 0.40 -1.14 0.00 0.00 176.83 176.74 3c3s h ILE 76 N 1.13 1.33 -0.68 3.27 2.04 -1.23 -3.29 117.51 120.09 3c3s h ILE 76 Ca 0.28 -1.43 0.10 0.00 1.00 0.00 0.00 64.86 64.81 3c3s h ILE 76 Cb 0.09 1.80 -0.08 0.00 -0.74 0.00 0.00 36.82 37.90 3c3s h ILE 76 CO -0.04 0.44 0.29 0.15 0.00 0.00 0.00 178.15 178.99 3c3s h PHE 77 N 0.18 0.52 -0.73 1.37 3.57 -0.92 -1.86 116.94 119.07 3c3s h PHE 77 Ca 0.03 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.58 3c3s h PHE 77 Cb 0.80 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 3c3s h PHE 77 CO 0.08 0.15 0.47 -1.49 -2.23 0.00 0.00 178.31 175.29 3c3s h TRP 78 N 0.49 0.88 0.00 0.41 -0.00 -1.46 -1.59 115.95 114.69 3c3s h TRP 78 Ca 0.34 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.26 3c3s h TRP 78 Cb 0.42 -0.29 0.00 0.00 -0.00 0.00 0.00 29.16 29.29 3c3s h TRP 78 CO -0.14 0.52 0.00 1.79 -0.00 0.00 0.00 178.44 180.61 3c3s h THR 79 N 0.93 0.00 0.00 1.49 1.35 -1.55 -2.90 112.91 112.22 3c3s h THR 79 Ca 0.29 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3c3s h THR 79 Cb -0.02 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 3c3s h THR 79 CO -0.10 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.76 3c3s n ASN 80 N -2.95 0.17 -4.50 5.36 5.03 -0.61 -4.72 115.26 113.03 3c3s n ASN 80 Ca 0.02 0.52 -0.28 0.00 0.87 0.00 0.00 54.58 55.71 3c3s n ASN 80 Cb 0.37 -0.56 -0.11 0.00 -1.02 0.00 0.00 39.78 38.46 3c3s n ASN 80 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3c3s s LEU 81 N -3.32 2.71 -0.19 3.41 1.43 -1.10 0.31 118.68 121.93 3c3s s LEU 81 Ca 0.12 -0.61 -0.27 0.00 -1.03 0.00 0.00 54.13 52.33 3c3s s LEU 81 Cb 0.16 -1.51 0.08 0.00 0.03 0.00 0.00 46.19 44.94 3c3s s LEU 81 CO 0.48 0.15 0.74 -0.55 0.23 0.00 0.00 176.35 177.41 3c3s s SER 82 N -2.36 -0.68 0.56 2.29 0.15 0.58 -4.69 113.70 109.54 3c3s s SER 82 Ca 0.20 1.11 0.29 0.00 0.70 0.00 0.00 55.95 58.24 3c3s s SER 82 Cb -0.10 1.05 1.64 0.00 -1.71 0.00 0.00 66.02 66.90 3c3s s SER 82 CO 0.11 -0.37 2.16 -0.65 1.20 0.00 0.00 173.24 175.69 3c3s h PRO 83 N 4.13 0.00 -0.52 5.44 0.11 -1.84 -0.22 132.00 139.09 3c3s h PRO 83 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3c3s h PRO 83 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3c3s h PRO 83 CO 0.19 0.06 0.00 0.09 -0.21 0.00 0.00 178.00 178.13 3c3s n ASN 84 N -3.74 5.31 -2.50 -2.05 3.02 -1.26 -4.96 115.26 109.08 3c3s n ASN 84 Ca -0.02 -2.90 0.00 0.00 -0.03 0.00 0.00 54.58 51.62 3c3s n ASN 84 Cb 0.16 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 3c3s n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3c3s n GLY 85 N 0.46 -0.35 0.08 7.41 0.00 -0.10 -5.00 105.19 107.69 3c3s n GLY 85 Ca 0.26 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3c3s n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3c3s n GLY 86 N 5.00 -3.91 7.00 -0.02 0.00 -0.12 -4.64 105.19 108.50 3c3s n GLY 86 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.97 3c3s n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3c3s n GLY 87 N -0.10 0.19 3.65 -0.02 0.00 -1.26 -4.84 105.19 102.81 3c3s n GLY 87 Ca 0.00 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 3c3s n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3c3s s GLU 88 N 0.00 2.09 0.56 1.61 2.02 -1.26 -5.01 118.70 118.72 3c3s s GLU 88 Ca 0.00 -1.79 -0.03 0.00 0.02 0.00 0.00 54.97 53.18 3c3s s GLU 88 Cb 0.00 -1.91 0.02 0.00 0.10 0.00 0.00 34.13 32.34 3c3s s GLU 88 CO 0.00 0.09 0.83 -1.25 0.02 0.00 0.00 175.26 174.94 3c3s s PRO 89 N -3.74 2.74 0.41 0.39 0.04 -1.26 -5.00 135.00 128.58 3c3s s PRO 89 Ca 0.36 -0.37 0.02 0.00 0.04 0.00 0.00 61.00 61.05 3c3s s PRO 89 Cb 0.01 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 3c3s s PRO 89 CO 0.20 -0.68 0.08 0.36 0.04 0.00 0.00 177.00 177.00 3c3s n LYS 90 N -2.45 0.71 0.00 4.56 2.85 -1.26 -4.70 118.16 117.87 3c3s n LYS 90 Ca 0.05 -3.26 0.00 0.00 -1.05 0.00 0.00 58.31 54.05 3c3s n LYS 90 Cb 0.59 1.43 0.00 0.00 -0.65 0.00 0.00 35.03 36.39 3c3s n LYS 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3c3s n GLY 91 N -0.56 -0.70 0.16 2.58 0.00 -1.26 -3.96 105.19 101.46 3c3s n GLY 91 Ca -0.11 -1.15 0.13 0.00 0.00 0.00 0.00 46.02 44.89 3c3s n GLY 91 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3c3s h GLU 92 N 0.00 0.00 -0.59 1.61 4.11 -1.99 -3.07 114.58 114.65 3c3s h GLU 92 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 3c3s h GLU 92 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3c3s h GLU 92 CO 0.00 0.00 0.36 1.25 0.07 0.00 0.00 179.01 180.69 3c3s h LEU 93 N 0.00 0.70 -0.82 3.06 6.46 -1.96 0.19 115.31 122.93 3c3s h LEU 93 Ca 0.00 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 3c3s h LEU 93 Cb 0.82 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.53 3c3s h LEU 93 CO 0.00 0.55 0.52 0.25 -0.62 0.00 0.00 178.44 179.15 3c3s h LEU 94 N 0.80 0.96 -0.54 2.25 5.85 -1.66 -0.11 115.31 122.85 3c3s h LEU 94 Ca 0.21 -0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.75 3c3s h LEU 94 Cb -0.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 3c3s h LEU 94 CO -0.04 0.72 -0.29 1.05 -0.34 0.00 0.00 178.44 179.54 3c3s h GLU 95 N 1.12 0.87 -0.64 1.25 4.11 -1.36 -1.49 114.58 118.44 3c3s h GLU 95 Ca 0.30 -0.40 -0.05 0.00 0.07 0.00 0.00 59.36 59.28 3c3s h GLU 95 Cb -0.09 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 3c3s h GLU 95 CO -0.06 1.04 0.20 0.00 0.07 0.00 0.00 179.01 180.26 3c3s h ALA 96 N 0.93 1.14 -0.51 1.06 0.00 -0.19 0.24 119.26 121.92 3c3s h ALA 96 Ca 0.08 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 3c3s h ALA 96 Cb 0.84 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3c3s h ALA 96 CO 0.07 0.60 -0.12 0.82 0.00 0.00 0.00 179.25 180.62 3c3s h ILE 97 N 0.95 1.27 0.00 0.00 2.04 -0.77 0.13 117.51 121.13 3c3s h ILE 97 Ca 0.21 -1.25 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 3c3s h ILE 97 Cb 0.28 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3c3s h ILE 97 CO -0.01 0.44 -0.00 0.11 0.00 0.00 0.00 178.15 178.69 3c3s h LYS 98 N 0.85 -0.00 -0.54 2.37 1.57 -0.75 -0.15 116.57 119.91 3c3s h LYS 98 Ca 0.13 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.96 3c3s h LYS 98 Cb 0.66 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.93 3c3s h LYS 98 CO 0.05 0.36 0.28 -0.09 -0.57 0.00 0.00 179.45 179.48 3c3s h ARG 99 N -0.37 0.52 0.00 3.15 2.43 -0.45 0.58 114.38 120.23 3c3s h ARG 99 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3c3s h ARG 99 Cb 0.37 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3c3s h ARG 99 CO 0.00 0.34 -0.94 -0.25 -1.51 0.00 0.00 179.97 177.62 3c3s n ASP 100 N -4.87 0.75 0.00 -3.80 8.00 0.02 -4.49 116.55 112.17 3c3s n ASP 100 Ca 0.05 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.74 3c3s n ASP 100 Cb 0.14 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 3c3s n ASP 100 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3c3s n PHE 101 N -2.42 0.00 0.00 1.24 3.01 -0.07 -5.04 117.46 114.18 3c3s n PHE 101 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 3c3s n PHE 101 Cb 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 3c3s n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3c3s n GLY 102 N 0.30 2.43 3.54 1.37 0.00 0.20 -4.51 105.19 108.52 3c3s n GLY 102 Ca 0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 3c3s n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3c3s s SER 103 N 0.00 -0.17 0.29 1.61 1.04 -1.26 -4.62 113.70 110.59 3c3s s SER 103 Ca 0.00 -0.66 -0.00 0.00 0.48 0.00 0.00 55.95 55.77 3c3s s SER 103 Cb 0.00 0.57 0.49 0.00 0.10 0.00 0.00 66.02 67.19 3c3s s SER 103 CO 0.00 -1.07 1.91 0.15 0.98 0.00 0.00 173.24 175.20 3c3s h PHE 104 N 2.25 1.09 -0.17 5.02 3.57 -1.92 -2.01 116.94 124.77 3c3s h PHE 104 Ca -0.28 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.14 3c3s h PHE 104 Cb 1.25 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 3c3s h PHE 104 CO 0.38 0.57 -0.37 -0.44 -2.23 0.00 0.00 178.31 176.22 3c3s h ASP 105 N 1.07 0.38 -0.47 0.41 5.19 -1.96 -1.73 116.42 119.31 3c3s h ASP 105 Ca 0.40 -0.15 -0.14 0.00 -0.62 0.00 0.00 57.03 56.52 3c3s h ASP 105 Cb 0.18 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 3c3s h ASP 105 CO -0.15 0.72 -0.25 0.11 -3.12 0.00 0.00 179.24 176.55 3c3s h LYS 106 N 0.31 0.99 0.15 3.56 1.57 -1.69 -1.29 116.57 120.16 3c3s h LYS 106 Ca 0.03 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 3c3s h LYS 106 Cb 0.80 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3c3s h LYS 106 CO 0.06 1.12 -0.07 0.35 -0.57 0.00 0.00 179.45 180.34 3c3s h PHE 107 N 0.84 -0.18 0.00 -1.35 3.57 -1.16 -0.81 116.94 117.84 3c3s h PHE 107 Ca 0.10 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 3c3s h PHE 107 Cb 0.83 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 3c3s h PHE 107 CO 0.06 -0.06 -0.28 1.57 -2.23 0.00 0.00 178.31 177.37 3c3s h LYS 108 N -0.26 0.00 -0.33 1.11 2.10 -1.31 0.88 116.57 118.76 3c3s h LYS 108 Ca -0.02 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.56 3c3s h LYS 108 Cb 0.20 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.52 3c3s h LYS 108 CO 0.03 0.28 -0.09 1.49 -2.00 0.00 0.00 179.45 179.16 3c3s h GLU 109 N 0.00 0.63 -0.05 0.07 4.81 -0.90 -1.23 114.58 117.91 3c3s h GLU 109 Ca -0.00 -0.25 -0.19 0.00 -0.13 0.00 0.00 59.36 58.79 3c3s h GLU 109 Cb 0.54 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3c3s h GLU 109 CO 0.04 0.82 -0.77 0.87 -0.73 0.00 0.00 179.01 179.23 3c3s h LYS 110 N 0.41 0.35 0.00 1.92 1.57 -0.67 -2.00 116.57 118.15 3c3s h LYS 110 Ca 0.08 -0.31 -0.11 0.00 -1.87 0.00 0.00 60.65 58.44 3c3s h LYS 110 Cb 0.59 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 3c3s h LYS 110 CO 0.03 0.96 -0.54 1.25 -0.57 0.00 0.00 179.45 180.59 3c3s h LEU 111 N 0.23 0.00 -0.29 2.94 5.85 -0.82 -1.96 115.31 121.26 3c3s h LEU 111 Ca -0.04 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.48 3c3s h LEU 111 Cb 1.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3c3s h LEU 111 CO 0.13 0.54 -0.77 0.74 -0.34 0.00 0.00 178.44 178.73 3c3s h THR 112 N 0.00 1.34 -0.48 1.05 2.02 -1.14 -2.57 112.91 113.13 3c3s h THR 112 Ca -0.01 -2.12 -0.12 0.00 0.77 0.00 0.00 66.41 64.93 3c3s h THR 112 Cb 1.04 2.10 -0.01 0.00 -1.74 0.00 0.00 68.15 69.54 3c3s h THR 112 CO 0.07 0.65 -0.19 0.00 0.37 0.00 0.00 175.52 176.42 3c3s h ALA 113 N 0.78 0.76 -0.14 6.16 0.00 -1.20 -0.70 119.26 124.92 3c3s h ALA 113 Ca -0.05 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 3c3s h ALA 113 Cb 1.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3c3s h ALA 113 CO 0.14 0.66 -0.42 0.00 0.00 0.00 0.00 179.25 179.63 3c3s h ALA 114 N 0.94 1.02 0.05 0.00 0.00 -1.35 -1.73 119.26 118.19 3c3s h ALA 114 Ca 0.12 -0.43 -0.20 0.00 0.00 0.00 0.00 54.91 54.40 3c3s h ALA 114 Cb 0.75 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.46 3c3s h ALA 114 CO 0.06 0.62 -0.80 0.77 0.00 0.00 0.00 179.25 179.90 3c3s h SER 115 N 0.27 0.62 0.59 0.00 0.02 -1.27 -3.26 113.55 110.53 3c3s h SER 115 Ca 0.02 -0.81 -0.13 0.00 -0.84 0.00 0.00 61.79 60.04 3c3s h SER 115 Cb 0.86 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 3c3s h SER 115 CO 0.07 1.36 -0.61 0.58 -1.14 0.00 0.00 176.83 177.09 3c3s h VAL 116 N -0.04 1.44 0.00 2.27 2.07 -1.16 -3.12 116.25 117.70 3c3s h VAL 116 Ca -0.11 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.32 3c3s h VAL 116 Cb 1.52 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 3c3s h VAL 116 CO 0.16 0.60 0.00 0.61 0.02 0.00 0.00 177.57 178.95 3c3s n GLY 117 N 0.22 -0.93 3.65 2.17 0.00 -0.65 -4.81 105.19 104.84 3c3s n GLY 117 Ca -0.01 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 3c3s n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3c3s s VAL 118 N -2.00 3.77 -0.32 1.61 1.01 -1.18 -4.95 120.40 118.35 3c3s s VAL 118 Ca 0.43 0.91 -0.29 0.00 0.00 0.00 0.00 61.98 63.03 3c3s s VAL 118 Cb 0.20 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3c3s s VAL 118 CO 0.33 -0.18 1.27 -1.10 0.00 0.00 0.00 175.10 175.43 3c3s s GLN 119 N 4.21 3.91 2.44 2.72 -0.21 -1.26 -4.74 119.66 126.72 3c3s s GLN 119 Ca 0.69 1.18 0.00 0.00 0.02 0.00 0.00 55.36 57.24 3c3s s GLN 119 Cb -0.27 -3.87 0.00 0.00 1.00 0.00 0.00 33.01 29.87 3c3s s GLN 119 CO 0.26 -1.13 0.00 0.41 -2.12 0.00 0.00 175.29 172.71 3c3s n GLY 120 N 4.33 0.17 3.85 3.09 0.00 -1.26 -4.86 105.19 110.51 3c3s n GLY 120 Ca 0.14 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 3c3s n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3c3s s SER 121 N -4.00 6.77 0.00 1.61 0.01 -1.26 -4.88 113.70 111.95 3c3s s SER 121 Ca 0.00 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.24 3c3s s SER 121 Cb 0.00 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.98 3c3s s SER 121 CO 0.00 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.39 3c3s n GLY 122 N 0.88 -1.09 2.98 3.44 0.00 -1.26 -0.05 105.19 110.09 3c3s n GLY 122 Ca -0.07 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 3c3s n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3c3s s TRP 123 N -3.00 0.38 -0.13 1.61 0.52 0.06 -1.72 118.94 116.66 3c3s s TRP 123 Ca 0.00 -0.31 -0.05 0.00 0.02 0.00 0.00 56.10 55.75 3c3s s TRP 123 Cb 0.00 -0.24 -0.04 0.00 -1.15 0.00 0.00 33.47 32.04 3c3s s TRP 123 CO 0.00 -0.08 0.07 0.20 0.02 0.00 0.00 176.95 177.16 3c3s s GLY 124 N -0.90 1.98 -0.16 0.98 0.00 -0.03 -0.87 107.32 108.32 3c3s s GLY 124 Ca -0.07 -0.73 -0.02 0.00 0.00 0.00 0.00 44.72 43.90 3c3s s GLY 124 CO -0.00 -0.32 0.02 -0.98 0.00 0.00 0.00 173.10 171.81 3c3s s TRP 125 N -0.59 1.04 0.11 1.90 0.52 0.36 -1.12 118.94 121.16 3c3s s TRP 125 Ca 0.11 -0.72 -0.31 0.00 0.02 0.00 0.00 56.10 55.20 3c3s s TRP 125 Cb -0.12 -1.01 -0.08 0.00 -1.15 0.00 0.00 33.47 31.10 3c3s s TRP 125 CO 0.02 -0.54 1.51 -1.17 0.02 0.00 0.00 176.95 176.79 3c3s s LEU 126 N 1.85 4.36 0.14 2.99 0.20 -0.87 0.73 118.68 128.09 3c3s s LEU 126 Ca 0.01 2.44 -0.01 0.00 0.69 0.00 0.00 54.13 57.26 3c3s s LEU 126 Cb -0.16 -3.58 -0.04 0.00 -0.43 0.00 0.00 46.19 41.98 3c3s s LEU 126 CO -0.07 -0.77 0.07 -0.83 -0.29 0.00 0.00 176.35 174.45 3c3s s GLY 127 N 1.51 1.07 -0.12 7.98 0.00 0.11 -1.95 107.32 115.92 3c3s s GLY 127 Ca 0.69 -1.51 0.01 0.00 0.00 0.00 0.00 44.72 43.90 3c3s s GLY 127 CO 0.31 -1.37 -0.14 -0.12 0.00 0.00 0.00 173.10 171.78 3c3s s PHE 128 N -4.06 2.79 -0.45 1.90 5.36 0.53 -0.03 117.98 124.02 3c3s s PHE 128 Ca 0.27 -0.58 -0.17 0.00 -0.96 0.00 0.00 56.93 55.49 3c3s s PHE 128 Cb 0.07 -1.81 0.04 0.00 -0.34 0.00 0.00 43.02 40.99 3c3s s PHE 128 CO 0.04 -0.15 0.43 1.21 -1.46 0.00 0.00 175.22 175.28 3c3s s ASN 129 N 0.18 6.17 0.32 6.13 3.84 -0.48 -1.35 114.94 129.74 3c3s s ASN 129 Ca -0.08 -0.94 0.03 0.00 0.21 0.00 0.00 52.86 52.09 3c3s s ASN 129 Cb -0.15 -2.21 0.53 0.00 -0.55 0.00 0.00 41.25 38.87 3c3s s ASN 129 CO 0.05 -0.63 1.83 0.11 -2.79 0.00 0.00 177.10 175.67 3c3s h LYS 130 N 8.76 0.55 0.38 0.43 1.57 -1.87 0.39 116.57 126.78 3c3s h LYS 130 Ca -0.27 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.35 3c3s h LYS 130 Cb 1.11 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3c3s h LYS 130 CO 0.83 0.61 -0.18 1.49 -0.57 0.00 0.00 179.45 181.63 3c3s h GLU 131 N 0.52 -0.50 0.00 3.15 4.81 -1.96 -3.28 114.58 117.33 3c3s h GLU 131 Ca 0.10 0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.19 3c3s h GLU 131 Cb 0.41 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 3c3s h GLU 131 CO 0.02 -0.23 -0.97 0.00 -0.73 0.00 0.00 179.01 177.09 3c3s h ARG 132 N -0.70 0.00 0.00 1.92 2.47 -1.99 -3.48 114.38 112.60 3c3s h ARG 132 Ca -0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3c3s h ARG 132 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 3c3s h ARG 132 CO 0.09 0.70 0.00 0.41 0.56 0.00 0.00 179.97 181.72 3c3s n GLY 133 N 1.34 0.69 3.15 0.04 0.00 0.14 -5.08 105.19 105.47 3c3s n GLY 133 Ca -0.03 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 3c3s n GLY 133 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3c3s s HIS 134 N -2.00 0.84 0.58 1.61 -3.43 -1.17 -4.96 115.29 106.77 3c3s s HIS 134 Ca 0.00 -1.14 -0.17 0.00 -0.80 0.00 0.00 55.06 52.95 3c3s s HIS 134 Cb 0.00 -0.50 -0.04 0.00 -1.43 0.00 0.00 32.58 30.61 3c3s s HIS 134 CO 0.00 -0.41 1.07 -0.51 -2.00 0.00 0.00 174.74 172.89 3c3s s LEU 135 N -3.04 3.56 -0.12 5.38 1.43 -1.26 -1.39 118.68 123.24 3c3s s LEU 135 Ca 0.19 1.90 -0.17 0.00 -1.03 0.00 0.00 54.13 55.02 3c3s s LEU 135 Cb 0.07 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.79 3c3s s LEU 135 CO -0.01 -1.19 0.45 -1.58 0.23 0.00 0.00 176.35 174.24 3c3s s GLN 136 N -3.87 0.62 -0.16 1.70 0.74 0.96 -4.87 119.66 114.79 3c3s s GLN 136 Ca 0.66 0.41 -0.08 0.00 0.05 0.00 0.00 55.36 56.40 3c3s s GLN 136 Cb -0.18 0.29 -0.04 0.00 1.10 0.00 0.00 33.01 34.19 3c3s s GLN 136 CO 0.34 -0.12 0.10 0.42 -0.55 0.00 0.00 175.29 175.48 3c3s s ILE 137 N -0.27 5.17 0.04 -2.34 1.01 -1.26 0.06 121.20 123.61 3c3s s ILE 137 Ca -0.04 0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.66 3c3s s ILE 137 Cb -0.03 -3.31 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 3c3s s ILE 137 CO 0.02 0.51 0.07 0.00 0.00 0.00 0.00 174.94 175.54 3c3s s ALA 138 N -0.11 0.05 -0.00 9.38 0.00 0.22 -4.99 121.76 126.31 3c3s s ALA 138 Ca 0.09 -0.68 0.08 0.00 0.00 0.00 0.00 51.96 51.44 3c3s s ALA 138 Cb -0.12 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 3c3s s ALA 138 CO 0.01 -0.33 -0.24 0.00 0.00 0.00 0.00 175.76 175.20 3c3s s ALA 139 N -2.82 1.98 -0.02 0.00 0.00 -1.26 0.14 121.76 119.77 3c3s s ALA 139 Ca -0.03 -1.05 0.06 0.00 0.00 0.00 0.00 51.96 50.94 3c3s s ALA 139 Cb 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 3c3s s ALA 139 CO -0.06 0.48 -0.21 0.00 0.00 0.00 0.00 175.76 175.97 3c3s s PRO 141 N -0.40 4.45 2.81 0.00 0.04 -1.26 -0.76 135.00 139.88 3c3s s PRO 141 Ca 0.06 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.00 3c3s s PRO 141 Cb -0.09 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.20 3c3s s PRO 141 CO -0.00 -0.17 0.00 0.09 0.04 0.00 0.00 177.00 176.96 3c3s n ASN 142 N 2.86 0.00 -1.27 6.66 5.03 0.93 -2.06 115.26 127.41 3c3s n ASN 142 Ca 0.06 0.00 0.11 0.00 0.87 0.00 0.00 54.58 55.62 3c3s n ASN 142 Cb 0.44 0.00 0.30 0.00 -1.02 0.00 0.00 39.78 39.50 3c3s n ASN 142 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3c3s n GLN 143 N 14.00 2.61 -1.69 3.52 1.13 -1.26 -4.27 117.38 131.41 3c3s n GLN 143 Ca 0.00 -2.48 -0.52 0.00 -1.94 0.00 0.00 57.00 52.05 3c3s n GLN 143 Cb 0.00 -1.54 -0.06 0.00 0.11 0.00 0.00 30.24 28.75 3c3s n GLN 143 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3c3s n ASP 144 N 1.55 2.82 -4.79 1.08 10.43 -0.88 -3.77 116.55 122.99 3c3s n ASP 144 Ca 0.23 1.04 -0.35 0.00 2.57 0.00 0.00 54.79 58.27 3c3s n ASP 144 Cb 0.60 -1.26 -0.04 0.00 1.84 0.00 0.00 41.12 42.25 3c3s n ASP 144 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 3c3s s PRO 145 N 3.35 4.05 0.02 -0.24 0.04 -1.26 -4.74 135.00 136.22 3c3s s PRO 145 Ca 0.94 1.41 -0.27 0.00 0.04 0.00 0.00 61.00 63.11 3c3s s PRO 145 Cb -0.88 -2.35 -0.16 0.00 0.04 0.00 0.00 34.50 31.15 3c3s s PRO 145 CO 0.56 -0.22 1.25 1.25 0.04 0.00 0.00 177.00 179.88 3c3s h LEU 146 N 2.12 -0.66 0.13 -3.56 5.85 -1.92 -2.89 115.31 114.38 3c3s h LEU 146 Ca -0.49 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 3c3s h LEU 146 Cb 1.21 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.41 3c3s h LEU 146 CO 0.61 -0.32 -0.06 -0.61 -0.34 0.00 0.00 178.44 177.72 3c3s h GLN 147 N -1.04 -0.17 -0.10 1.25 4.15 -1.88 0.57 115.11 117.90 3c3s h GLN 147 Ca -0.08 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.38 3c3s h GLN 147 Cb 0.66 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.38 3c3s h GLN 147 CO 0.13 -0.04 0.08 0.78 -1.93 0.00 0.00 178.83 177.85 3c3s h GLY 148 N -0.26 0.00 -0.34 2.39 0.00 -1.87 0.20 103.07 103.18 3c3s h GLY 148 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3c3s h GLY 148 CO 0.03 0.00 -0.28 -1.30 0.00 0.00 0.00 176.54 174.99 3c3s n THR 149 N -4.38 0.00 0.00 4.70 -2.24 -1.09 -4.75 114.28 106.52 3c3s n THR 149 Ca -0.01 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3c3s n THR 149 Cb 0.19 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 3c3s n THR 149 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3c3s n THR 150 N -0.52 0.00 0.00 4.28 -1.04 0.19 -5.02 114.28 112.17 3c3s n THR 150 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3c3s n THR 150 Cb 0.20 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 3c3s n THR 150 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3c3s n GLY 151 N 1.72 2.68 3.76 3.41 0.00 0.68 -5.00 105.19 112.45 3c3s n GLY 151 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3c3s n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3c3s s LEU 152 N 0.00 4.48 -0.17 0.99 1.43 -1.26 -4.80 118.68 119.36 3c3s s LEU 152 Ca 0.00 2.23 -0.25 0.00 -1.03 0.00 0.00 54.13 55.07 3c3s s LEU 152 Cb 0.00 -3.73 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 3c3s s LEU 152 CO 0.00 -0.20 0.82 -0.63 0.23 0.00 0.00 176.35 176.57 3c3s s ILE 153 N -1.25 4.89 0.17 -0.59 -1.09 -0.46 -2.94 121.20 119.93 3c3s s ILE 153 Ca 0.47 1.62 -0.30 0.00 -2.23 0.00 0.00 60.65 60.20 3c3s s ILE 153 Cb -0.30 -4.13 -0.08 0.00 -1.58 0.00 0.00 42.46 36.36 3c3s s ILE 153 CO 0.39 0.04 1.33 -2.16 -1.23 0.00 0.00 174.94 173.30 3c3s s PRO 154 N 2.10 4.37 -0.06 2.79 0.04 -1.26 -0.35 135.00 142.63 3c3s s PRO 154 Ca 0.38 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.44 3c3s s PRO 154 Cb -0.17 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 3c3s s PRO 154 CO 0.13 -0.31 -0.08 1.28 0.04 0.00 0.00 177.00 178.05 3c3s n LEU 155 N 3.11 0.47 -3.82 -3.56 4.77 -0.82 -4.92 117.00 112.23 3c3s n LEU 155 Ca 0.08 0.08 -0.18 0.00 -0.03 0.00 0.00 56.01 55.96 3c3s n LEU 155 Cb 0.43 -0.19 -0.16 0.00 -2.33 0.00 0.00 43.42 41.16 3c3s n LEU 155 CO 0.58 0.10 -0.38 -0.22 -1.33 0.00 0.00 177.39 176.14 3c3s s LEU 156 N -6.37 1.11 -0.03 2.23 2.96 -1.19 -4.59 118.68 112.80 3c3s s LEU 156 Ca -0.09 -0.04 0.07 0.00 -0.22 0.00 0.00 54.13 53.86 3c3s s LEU 156 Cb 0.03 -0.26 -0.02 0.00 0.50 0.00 0.00 46.19 46.44 3c3s s LEU 156 CO 0.11 -0.11 -0.25 -0.83 -1.32 0.00 0.00 176.35 173.95 3c3s s GLY 157 N 1.11 1.24 -0.19 7.98 0.00 -1.26 -2.05 107.32 114.15 3c3s s GLY 157 Ca -0.09 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 43.58 3c3s s GLY 157 CO -0.02 -0.82 -0.18 -0.42 0.00 0.00 0.00 173.10 171.67 3c3s s ILE 158 N -0.46 2.00 -0.34 0.90 1.01 -0.27 -4.88 121.20 119.16 3c3s s ILE 158 Ca 0.06 -1.00 -0.23 0.00 0.00 0.00 0.00 60.65 59.48 3c3s s ILE 158 Cb -0.11 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.50 3c3s s ILE 158 CO 0.00 0.44 0.77 -0.62 0.00 0.00 0.00 174.94 175.54 3c3s s ASP 159 N 1.29 6.59 -0.28 3.58 3.68 -1.26 -0.85 116.67 129.41 3c3s s ASP 159 Ca 0.03 0.47 0.11 0.00 2.13 0.00 0.00 52.55 55.29 3c3s s ASP 159 Cb -0.14 -2.39 0.60 0.00 -1.45 0.00 0.00 42.92 39.53 3c3s s ASP 159 CO -0.12 -0.67 1.59 1.33 0.13 0.00 0.00 175.17 177.43 3c3s n VAL 160 N 5.67 2.64 -2.56 1.11 0.24 -0.70 -4.83 118.33 119.90 3c3s n VAL 160 Ca 0.03 -2.10 -0.40 0.00 -2.04 0.00 0.00 64.34 59.83 3c3s n VAL 160 Cb 0.48 -0.33 -0.05 0.00 -1.47 0.00 0.00 33.84 32.48 3c3s n VAL 160 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3c3s s TRP 161 N -3.06 3.67 0.45 6.34 0.52 -1.25 -4.36 118.94 121.25 3c3s s TRP 161 Ca 0.48 1.76 0.22 0.00 0.02 0.00 0.00 56.10 58.57 3c3s s TRP 161 Cb 0.40 -3.18 1.20 0.00 -1.15 0.00 0.00 33.47 30.74 3c3s s TRP 161 CO 0.07 -0.27 1.85 0.00 0.02 0.00 0.00 176.95 178.63 3c3s h ALA 162 N 3.78 2.39 0.00 0.98 0.00 -1.93 0.30 119.26 124.79 3c3s h ALA 162 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3c3s h ALA 162 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3c3s h ALA 162 CO 0.67 -0.70 0.00 -2.39 0.00 0.00 0.00 179.25 176.83 3c3s n HIS 163 N -4.46 0.00 0.92 0.00 1.44 -1.26 0.06 115.22 111.92 3c3s n HIS 163 Ca 0.20 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 56.01 3c3s n HIS 163 Cb 0.81 -0.22 -0.05 0.00 0.12 0.00 0.00 29.99 30.65 3c3s n HIS 163 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3c3s n ALA 164 N -1.22 3.97 -0.28 1.59 0.00 0.10 -4.68 120.51 119.99 3c3s n ALA 164 Ca 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3c3s n ALA 164 Cb 0.05 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3c3s n ALA 164 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3c3s n TYR 165 N -0.72 0.00 -0.19 0.00 4.11 -0.64 -4.99 117.16 114.73 3c3s n TYR 165 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.95 3c3s n TYR 165 Cb 0.37 0.00 0.09 0.00 -0.00 0.00 0.00 39.34 39.80 3c3s n TYR 165 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 3c3s h TYR 166 N 0.00 0.40 -0.71 -3.48 3.20 -0.62 0.35 116.97 116.10 3c3s h TYR 166 Ca 0.00 0.03 0.14 0.00 3.14 0.00 0.00 58.73 62.03 3c3s h TYR 166 Cb 0.00 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.13 3c3s h TYR 166 CO 0.00 0.13 0.48 -0.07 -1.64 0.00 0.00 178.16 177.06 3c3s h LEU 167 N 0.42 0.37 0.03 2.82 3.38 -1.92 0.27 115.31 120.68 3c3s h LEU 167 Ca 0.28 0.02 -0.39 0.00 0.09 0.00 0.00 57.88 57.88 3c3s h LEU 167 Cb 0.30 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 3c3s h LEU 167 CO -0.26 0.20 -2.36 1.67 0.09 0.00 0.00 178.44 177.78 3c3s n GLN 168 N -4.47 0.67 -0.09 1.13 7.27 -0.72 -4.67 117.38 116.51 3c3s n GLN 168 Ca 0.13 0.18 0.04 0.00 0.07 0.00 0.00 57.00 57.43 3c3s n GLN 168 Cb 0.49 -1.56 0.09 0.00 2.41 0.00 0.00 30.24 31.67 3c3s n GLN 168 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3c3s n TYR 169 N -3.35 0.23 -2.22 3.69 4.02 0.12 -5.08 117.16 114.57 3c3s n TYR 169 Ca -0.43 -0.32 0.00 0.00 -0.01 0.00 0.00 57.90 57.14 3c3s n TYR 169 Cb 1.00 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 40.30 3c3s n TYR 169 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3c3s n LYS 170 N 0.36 0.00 0.00 -0.72 4.01 0.08 -1.52 118.16 120.36 3c3s n LYS 170 Ca 0.08 0.00 0.05 0.00 -0.51 0.00 0.00 58.31 57.93 3c3s n LYS 170 Cb 0.33 0.00 0.26 0.00 -0.51 0.00 0.00 35.03 35.10 3c3s n LYS 170 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 3c3s n ASN 171 N -0.52 0.00 -4.35 4.39 6.94 -1.26 -4.53 115.26 115.92 3c3s n ASN 171 Ca 0.00 0.17 -0.46 0.00 -0.02 0.00 0.00 54.58 54.27 3c3s n ASN 171 Cb 0.00 -0.31 -0.03 0.00 -2.36 0.00 0.00 39.78 37.09 3c3s n ASN 171 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3c3s s VAL 172 N -2.61 5.36 0.13 3.53 1.01 -0.58 -4.89 120.40 122.35 3c3s s VAL 172 Ca 0.09 -2.11 -0.14 0.00 0.00 0.00 0.00 61.98 59.82 3c3s s VAL 172 Cb 0.07 -4.51 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 3c3s s VAL 172 CO 0.16 -1.10 1.55 0.03 0.00 0.00 0.00 175.10 175.74 3c3s h ARG 173 N 8.18 0.74 -1.04 2.72 3.08 -1.83 -3.12 114.38 123.11 3c3s h ARG 173 Ca 0.04 -0.26 0.27 0.00 0.07 0.00 0.00 59.98 60.11 3c3s h ARG 173 Cb 1.05 -0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.95 3c3s h ARG 173 CO 0.87 0.85 0.67 -1.35 -1.07 0.00 0.00 179.97 179.94 3c3s h PRO 174 N 0.56 0.37 -0.56 0.04 0.11 -1.97 0.29 132.00 130.84 3c3s h PRO 174 Ca 0.11 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.09 3c3s h PRO 174 Cb 0.54 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 3c3s h PRO 174 CO 0.03 0.24 -0.06 -0.44 -0.21 0.00 0.00 178.00 177.56 3c3s h ASP 175 N 0.38 1.01 0.19 -2.05 5.19 -1.93 0.85 116.42 120.06 3c3s h ASP 175 Ca 0.59 -0.31 -0.01 0.00 -0.62 0.00 0.00 57.03 56.69 3c3s h ASP 175 Cb 1.53 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 40.77 3c3s h ASP 175 CO -0.29 1.09 -0.09 0.22 -3.12 0.00 0.00 179.24 177.05 3c3s h TYR 176 N 0.92 -0.24 -0.65 4.55 -0.00 -0.58 -1.60 116.97 119.36 3c3s h TYR 176 Ca 0.15 -0.01 0.03 0.00 -0.00 0.00 0.00 58.73 58.91 3c3s h TYR 176 Cb 0.61 0.08 -0.04 0.00 -0.00 0.00 0.00 36.73 37.38 3c3s h TYR 176 CO 0.04 0.03 0.39 -0.07 -0.00 0.00 0.00 178.16 178.55 3c3s h LEU 177 N -0.49 0.63 -0.74 2.82 -0.00 -0.82 -0.53 115.31 116.17 3c3s h LEU 177 Ca -0.03 0.01 0.04 0.00 -0.00 0.00 0.00 57.88 57.90 3c3s h LEU 177 Cb 0.38 -0.12 -0.05 0.00 -0.00 0.00 0.00 40.66 40.86 3c3s h LEU 177 CO 0.04 0.43 0.46 0.50 -0.00 0.00 0.00 178.44 179.87 3c3s h LYS 178 N 0.76 0.86 -0.31 1.13 3.64 -0.75 -3.02 116.57 118.88 3c3s h LYS 178 Ca 0.27 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 3c3s h LYS 178 Cb 0.06 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 3c3s h LYS 178 CO -0.12 0.57 -0.28 0.00 -2.27 0.00 0.00 179.45 177.34 3c3s h ALA 179 N 1.33 0.45 -0.13 5.00 0.00 -0.54 -3.29 119.26 122.09 3c3s h ALA 179 Ca 0.31 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3c3s h ALA 179 Cb 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3c3s h ALA 179 CO -0.13 0.47 0.12 0.97 0.00 0.00 0.00 179.25 180.68 3c3s h ILE 180 N 0.50 0.65 -0.01 0.00 2.10 -0.99 -2.24 117.51 117.53 3c3s h ILE 180 Ca 0.05 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.99 3c3s h ILE 180 Cb 0.85 0.91 -0.00 0.00 -1.09 0.00 0.00 36.82 37.49 3c3s h ILE 180 CO 0.07 0.00 0.02 -0.50 -1.08 0.00 0.00 178.15 176.67 3c3s h TRP 181 N 0.00 0.00 0.00 2.19 4.06 -1.62 -1.59 115.95 118.99 3c3s h TRP 181 Ca 0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.01 3c3s h TRP 181 Cb 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.46 3c3s h TRP 181 CO 0.00 0.00 0.00 -0.91 -3.56 0.00 0.00 178.44 173.97 3c3s h ASN 182 N 0.00 0.00 0.00 -3.49 2.35 -1.64 -3.31 115.58 109.49 3c3s h ASN 182 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3c3s h ASN 182 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3c3s h ASN 182 CO -0.00 0.00 -0.00 1.33 -1.65 0.00 0.00 177.43 177.11 3c3s n VAL 183 N -2.42 1.28 -2.08 2.81 0.24 -0.60 -2.38 118.33 115.18 3c3s n VAL 183 Ca 0.04 -1.42 -0.41 0.00 -2.04 0.00 0.00 64.34 60.51 3c3s n VAL 183 Cb 0.39 0.25 -0.02 0.00 -1.47 0.00 0.00 33.84 32.99 3c3s n VAL 183 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3c3s s ILE 184 N -1.63 2.82 -0.96 1.34 -1.09 -1.19 -0.31 121.20 120.18 3c3s s ILE 184 Ca 0.11 0.70 -0.15 0.00 -2.23 0.00 0.00 60.65 59.08 3c3s s ILE 184 Cb 0.10 -3.45 0.19 0.00 -1.58 0.00 0.00 42.46 37.72 3c3s s ILE 184 CO 0.01 0.11 1.04 0.21 -1.23 0.00 0.00 174.94 175.08 3c3s s ASN 185 N 0.27 6.85 0.61 3.58 3.84 0.15 -0.94 114.94 129.29 3c3s s ASN 185 Ca 0.57 -2.66 0.38 0.00 0.21 0.00 0.00 52.86 51.36 3c3s s ASN 185 Cb -0.40 -2.30 2.00 0.00 -0.55 0.00 0.00 41.25 39.99 3c3s s ASN 185 CO 0.43 -0.72 2.24 -0.50 -2.79 0.00 0.00 177.10 175.76 3c3s h TRP 186 N 7.87 0.00 -0.41 0.43 4.06 -1.88 -1.70 115.95 124.32 3c3s h TRP 186 Ca 0.17 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.07 3c3s h TRP 186 Cb 0.99 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.13 3c3s h TRP 186 CO 1.05 0.02 0.09 1.49 -3.56 0.00 0.00 178.44 177.53 3c3s h GLU 187 N 0.00 0.65 -0.29 0.49 4.81 -1.96 -0.08 114.58 118.20 3c3s h GLU 187 Ca -0.00 -0.16 -0.13 0.00 -0.13 0.00 0.00 59.36 58.94 3c3s h GLU 187 Cb 0.15 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 3c3s h GLU 187 CO 0.00 0.68 -0.31 -0.97 -0.73 0.00 0.00 179.01 177.68 3c3s h ASN 188 N 0.52 0.77 -0.19 1.04 -0.73 -1.62 -1.19 115.58 114.18 3c3s h ASN 188 Ca 0.13 -0.48 -0.04 0.00 1.87 0.00 0.00 56.30 57.78 3c3s h ASN 188 Cb 0.32 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.68 3c3s h ASN 188 CO 0.00 1.09 0.01 0.58 -0.37 0.00 0.00 177.43 178.75 3c3s h VAL 189 N 0.47 1.17 -0.33 2.57 2.07 -1.32 -0.64 116.25 120.24 3c3s h VAL 189 Ca 0.04 -0.65 -0.13 0.00 0.82 0.00 0.00 66.70 66.78 3c3s h VAL 189 Cb 0.88 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3c3s h VAL 189 CO 0.08 0.22 -0.30 0.74 0.02 0.00 0.00 177.57 178.33 3c3s h THR 190 N 0.42 1.29 -0.34 2.57 2.02 -0.80 -1.69 112.91 116.39 3c3s h THR 190 Ca 0.10 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 65.80 3c3s h THR 190 Cb 0.26 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 3c3s h THR 190 CO 0.01 0.48 0.16 -0.33 0.37 0.00 0.00 175.52 176.20 3c3s h GLU 191 N 0.55 0.49 -0.43 6.66 5.08 -0.68 0.04 114.58 126.29 3c3s h GLU 191 Ca 0.05 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3c3s h GLU 191 Cb 0.88 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 3c3s h GLU 191 CO 0.08 0.45 0.21 0.00 -1.00 0.00 0.00 179.01 178.74 3c3s h ARG 192 N 0.41 0.59 -0.15 2.33 3.08 -1.10 -2.16 114.38 117.38 3c3s h ARG 192 Ca 0.12 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.95 3c3s h ARG 192 Cb 0.13 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3c3s h ARG 192 CO -0.01 0.46 -0.49 -0.92 -1.07 0.00 0.00 179.97 177.94 3c3s h TYR 193 N 0.60 0.79 0.00 3.04 5.03 -0.80 -3.19 116.97 122.44 3c3s h TYR 193 Ca 0.15 -0.32 -0.03 0.00 2.58 0.00 0.00 58.73 61.11 3c3s h TYR 193 Cb 0.06 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.21 3c3s h TYR 193 CO 0.00 1.09 -0.14 0.52 -1.32 0.00 0.00 178.16 178.32 3c3s h MET 194 N 0.26 0.00 0.00 1.82 2.86 -0.74 -2.92 114.93 116.20 3c3s h MET 194 Ca -0.02 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 3c3s h MET 194 Cb 1.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 3c3s h MET 194 CO 0.10 0.14 -0.37 0.00 1.06 0.00 0.00 176.91 177.84 3c3s h ALA 195 N 1.86 1.05 0.00 6.32 0.00 -1.38 -3.51 119.26 123.61 3c3s h ALA 195 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3c3s h ALA 195 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3c3s h ALA 195 CO 0.02 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.73