#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g2x n GLN 2 N 0.00 1.55 -3.60 1.96 10.64 -0.45 -4.87 117.38 122.62 3g2x n GLN 2 Ca 0.00 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 54.99 3g2x n GLN 2 Cb 0.00 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 29.23 3g2x n GLN 2 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3g2x s ARG 3 N -1.89 0.10 0.31 2.61 0.52 -1.25 -1.89 118.95 117.45 3g2x s ARG 3 Ca 0.00 0.38 -0.08 0.00 -0.52 0.00 0.00 55.73 55.50 3g2x s ARG 3 Cb 0.00 -0.76 -0.06 0.00 0.52 0.00 0.00 34.95 34.64 3g2x s ARG 3 CO 0.00 -0.47 0.63 -0.08 0.02 0.00 0.00 175.30 175.40 3g2x s THR 4 N 2.30 4.91 -0.17 0.02 -1.32 -1.08 -4.79 115.64 115.50 3g2x s THR 4 Ca 0.04 0.38 -0.09 0.00 -1.21 0.00 0.00 61.69 60.81 3g2x s THR 4 Cb -0.14 -3.70 -0.05 0.00 -1.51 0.00 0.00 72.50 67.11 3g2x s THR 4 CO -0.09 -0.32 0.15 -0.22 -2.21 0.00 0.00 174.62 171.94 3g2x s LEU 5 N -3.44 4.27 -0.02 9.08 1.98 -1.26 -1.98 118.68 127.30 3g2x s LEU 5 Ca 0.48 0.33 0.07 0.00 -2.89 0.00 0.00 54.13 52.11 3g2x s LEU 5 Cb -0.11 -2.11 -0.02 0.00 0.66 0.00 0.00 46.19 44.62 3g2x s LEU 5 CO 0.27 0.24 -0.24 -0.69 -1.89 0.00 0.00 176.35 174.05 3g2x s VAL 6 N -0.05 1.90 -0.12 1.68 1.01 0.29 -1.13 120.40 123.98 3g2x s VAL 6 Ca 0.11 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3g2x s VAL 6 Cb -0.11 -1.58 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 3g2x s VAL 6 CO 0.00 0.54 -0.19 -0.76 0.00 0.00 0.00 175.10 174.69 3g2x s LEU 7 N -0.49 2.35 -0.41 3.92 1.43 0.15 -0.29 118.68 125.34 3g2x s LEU 7 Ca 0.07 -0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 52.51 3g2x s LEU 7 Cb -0.10 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.64 3g2x s LEU 7 CO -0.00 0.15 0.53 -0.63 0.23 0.00 0.00 176.35 176.63 3g2x s ILE 8 N 0.42 4.97 0.74 -0.59 -1.09 0.13 -0.05 121.20 125.73 3g2x s ILE 8 Ca -0.14 -0.01 -0.11 0.00 -2.23 0.00 0.00 60.65 58.15 3g2x s ILE 8 Cb -0.17 -4.09 0.04 0.00 -1.58 0.00 0.00 42.46 36.66 3g2x s ILE 8 CO 0.06 -0.44 1.08 -0.54 -1.23 0.00 0.00 174.94 173.87 3g2x s LYS 9 N 2.46 2.53 0.41 2.79 1.02 0.20 -1.84 119.74 127.32 3g2x s LYS 9 Ca 0.18 0.75 0.18 0.00 0.02 0.00 0.00 55.97 57.10 3g2x s LYS 9 Cb -0.16 -1.96 1.08 0.00 -0.52 0.00 0.00 37.83 36.28 3g2x s LYS 9 CO 0.16 -1.33 1.82 -1.35 -0.92 0.00 0.00 175.35 173.72 3g2x h PRO 10 N -0.88 0.40 0.00 -1.68 0.11 -1.81 -0.03 132.00 128.11 3g2x h PRO 10 Ca -0.45 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 3g2x h PRO 10 Cb 1.24 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3g2x h PRO 10 CO 0.59 0.27 -0.31 0.38 -0.21 0.00 0.00 178.00 178.71 3g2x h ASP 11 N 0.41 0.00 -0.70 -2.05 2.03 -1.90 -1.34 116.42 112.88 3g2x h ASP 11 Ca 0.53 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.79 3g2x h ASP 11 Cb 1.32 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.78 3g2x h ASP 11 CO -0.23 0.31 0.31 0.00 -1.03 0.00 0.00 179.24 178.61 3g2x h ALA 12 N 1.69 1.20 -0.17 4.15 0.00 -1.25 -1.58 119.26 123.30 3g2x h ALA 12 Ca -0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3g2x h ALA 12 Cb 0.59 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3g2x h ALA 12 CO 0.04 0.59 -0.20 0.74 0.00 0.00 0.00 179.25 180.42 3g2x h PHE 13 N 1.03 0.53 -0.87 0.00 -1.00 -1.47 0.26 116.94 115.42 3g2x h PHE 13 Ca 0.24 -0.17 0.22 0.00 2.81 0.00 0.00 57.97 61.07 3g2x h PHE 13 Cb 0.15 -0.11 -0.15 0.00 3.61 0.00 0.00 35.95 39.45 3g2x h PHE 13 CO 0.01 0.83 0.02 1.49 -1.61 0.00 0.00 178.31 179.06 3g2x h GLU 14 N 0.08 0.07 -0.15 1.51 4.57 -1.02 -1.67 114.58 117.97 3g2x h GLU 14 Ca 0.02 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3g2x h GLU 14 Cb 0.76 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 3g2x h GLU 14 CO 0.05 0.05 0.00 0.54 -1.18 0.00 0.00 179.01 178.47 3g2x n ARG 15 N -5.40 1.99 -3.17 1.92 1.74 -0.62 -4.97 116.66 108.15 3g2x n ARG 15 Ca 0.18 -1.86 -0.15 0.00 -0.77 0.00 0.00 57.85 55.25 3g2x n ARG 15 Cb 0.60 -1.41 0.06 0.00 -1.02 0.00 0.00 32.46 30.70 3g2x n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3g2x n SER 16 N 1.17 -3.35 -0.30 0.55 7.64 0.12 -4.94 113.62 114.51 3g2x n SER 16 Ca 0.14 -0.44 0.07 0.00 1.01 0.00 0.00 58.87 59.64 3g2x n SER 16 Cb 0.52 -3.92 0.13 0.00 -1.01 0.00 0.00 64.21 59.92 3g2x n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3g2x n LEU 17 N -3.55 2.67 0.32 -3.43 4.77 0.67 -4.74 117.00 113.72 3g2x n LEU 17 Ca -0.13 -2.66 -0.17 0.00 -0.03 0.00 0.00 56.01 53.02 3g2x n LEU 17 Cb 0.59 -0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 41.27 3g2x n LEU 17 CO 0.47 0.65 0.53 0.58 -1.33 0.00 0.00 177.39 178.28 3g2x h VAL 18 N 0.65 0.00 -0.94 4.08 2.07 -1.93 -0.71 116.25 119.48 3g2x h VAL 18 Ca 0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 3g2x h VAL 18 Cb 0.94 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.61 3g2x h VAL 18 CO 0.05 0.00 0.54 0.00 0.02 0.00 0.00 177.57 178.18 3g2x h ALA 19 N -1.11 1.46 -0.55 1.67 0.00 -1.95 -0.70 119.26 118.09 3g2x h ALA 19 Ca -0.08 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3g2x h ALA 19 Cb 0.83 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3g2x h ALA 19 CO 0.01 0.00 0.31 1.49 0.00 0.00 0.00 179.25 181.07 3g2x h GLU 20 N 0.76 0.60 0.06 0.00 4.57 -1.78 0.41 114.58 119.20 3g2x h GLU 20 Ca 0.51 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.65 3g2x h GLU 20 Cb 0.69 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 3g2x h GLU 20 CO -0.34 0.39 -0.03 0.82 -1.18 0.00 0.00 179.01 178.67 3g2x h ILE 21 N 0.61 1.24 -0.31 2.32 2.04 -0.50 -2.65 117.51 120.27 3g2x h ILE 21 Ca 0.23 -1.42 0.03 0.00 1.00 0.00 0.00 64.86 64.70 3g2x h ILE 21 Cb 0.07 2.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 3g2x h ILE 21 CO -0.12 0.33 0.21 0.24 0.00 0.00 0.00 178.15 178.81 3g2x h MET 22 N -0.77 0.27 -0.66 2.37 2.86 -1.10 -1.17 114.93 116.74 3g2x h MET 22 Ca -0.01 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 3g2x h MET 22 Cb 0.61 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 3g2x h MET 22 CO 0.01 0.18 0.14 0.78 1.06 0.00 0.00 176.91 179.09 3g2x h GLY 23 N 0.28 1.13 1.00 8.32 0.00 -0.14 0.31 103.07 113.98 3g2x h GLY 23 Ca 0.13 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 3g2x h GLY 23 CO -0.03 0.66 0.35 3.21 0.00 0.00 0.00 176.54 180.74 3g2x h ARG 24 N 1.00 0.94 -0.06 4.80 3.08 -0.84 -1.01 114.38 122.29 3g2x h ARG 24 Ca 0.21 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3g2x h ARG 24 Cb 0.38 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3g2x h ARG 24 CO 0.00 0.72 -0.04 0.82 -1.07 0.00 0.00 179.97 180.40 3g2x h ILE 25 N 0.92 1.35 -0.95 2.04 2.04 -1.29 -3.09 117.51 118.54 3g2x h ILE 25 Ca 0.23 -1.13 0.18 0.00 1.00 0.00 0.00 64.86 65.14 3g2x h ILE 25 Cb 0.06 1.99 -0.08 0.00 -0.74 0.00 0.00 36.82 38.05 3g2x h ILE 25 CO -0.04 0.31 0.61 -0.08 0.00 0.00 0.00 178.15 178.95 3g2x h GLU 26 N -0.28 0.62 -0.72 2.37 4.81 -0.82 -1.68 114.58 118.88 3g2x h GLU 26 Ca 0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3g2x h GLU 26 Cb 0.52 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3g2x h GLU 26 CO 0.01 0.41 0.00 1.63 -0.73 0.00 0.00 179.01 180.33 3g2x n LYS 27 N -4.62 2.00 0.00 1.92 5.02 -0.39 -1.75 118.16 120.34 3g2x n LYS 27 Ca 0.21 -0.90 0.00 0.00 -2.02 0.00 0.00 58.31 55.60 3g2x n LYS 27 Cb 0.59 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 3g2x n LYS 27 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3g2x n LYS 28 N 0.18 -0.08 -0.76 1.97 3.00 -0.64 -5.02 118.16 116.81 3g2x n LYS 28 Ca 0.08 -0.56 0.00 0.00 -0.00 0.00 0.00 58.31 57.83 3g2x n LYS 28 Cb 0.45 -0.87 0.00 0.00 0.00 0.00 0.00 35.03 34.61 3g2x n LYS 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3g2x n ASN 29 N -0.08 -2.08 -4.77 3.14 2.85 -0.72 -5.04 115.26 108.57 3g2x n ASN 29 Ca 0.00 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.08 3g2x n ASN 29 Cb 0.12 -0.35 -0.03 0.00 1.24 0.00 0.00 39.78 40.77 3g2x n ASN 29 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3g2x s PHE 30 N -2.14 3.20 -0.13 1.20 0.40 -1.24 -4.98 117.98 114.30 3g2x s PHE 30 Ca 0.00 1.56 -0.05 0.00 -0.60 0.00 0.00 56.93 57.84 3g2x s PHE 30 Cb 0.00 -3.44 -0.04 0.00 0.51 0.00 0.00 43.02 40.05 3g2x s PHE 30 CO 0.00 -1.25 0.05 0.15 0.70 0.00 0.00 175.22 174.87 3g2x s LYS 31 N -1.93 3.48 -0.46 0.44 -0.14 -1.01 -4.58 119.74 115.53 3g2x s LYS 31 Ca 0.51 -0.33 -0.28 0.00 -1.36 0.00 0.00 55.97 54.52 3g2x s LYS 31 Cb -0.33 -3.03 -0.02 0.00 -1.68 0.00 0.00 37.83 32.76 3g2x s LYS 31 CO 0.43 0.54 1.80 0.42 -0.76 0.00 0.00 175.35 177.78 3g2x s ILE 32 N -0.39 3.45 0.10 2.17 1.01 -1.26 -0.93 121.20 125.34 3g2x s ILE 32 Ca 0.09 0.39 0.08 0.00 0.00 0.00 0.00 60.65 61.21 3g2x s ILE 32 Cb -0.12 -3.81 -0.21 0.00 0.01 0.00 0.00 42.46 38.33 3g2x s ILE 32 CO 0.02 -0.65 1.20 0.58 0.00 0.00 0.00 174.94 176.09 3g2x h VAL 33 N 6.83 1.60 -1.66 2.92 2.07 -1.29 -3.48 116.25 123.24 3g2x h VAL 33 Ca -0.30 -3.33 0.27 0.00 0.82 0.00 0.00 66.70 64.17 3g2x h VAL 33 Cb 1.16 2.79 -0.13 0.00 -1.52 0.00 0.00 31.29 33.60 3g2x h VAL 33 CO 1.12 0.91 0.74 -0.94 0.02 0.00 0.00 177.57 179.43 3g2x s SER 34 N -6.63 -0.11 -0.28 0.57 1.04 -1.21 -4.97 113.70 102.11 3g2x s SER 34 Ca 0.00 -0.15 -0.18 0.00 0.48 0.00 0.00 55.95 56.10 3g2x s SER 34 Cb 0.10 0.23 0.10 0.00 0.10 0.00 0.00 66.02 66.54 3g2x s SER 34 CO 0.82 -0.41 0.79 -0.32 0.98 0.00 0.00 173.24 175.10 3g2x s MET 35 N -2.62 0.64 0.06 4.02 0.00 -1.26 0.30 119.30 120.43 3g2x s MET 35 Ca 0.12 1.00 0.09 0.00 0.00 0.00 0.00 55.69 56.90 3g2x s MET 35 Cb 0.02 0.18 -0.03 0.00 0.00 0.00 0.00 34.83 35.00 3g2x s MET 35 CO -0.03 -0.12 -0.24 0.15 0.00 0.00 0.00 175.02 174.78 3g2x s LYS 36 N 1.24 1.58 -0.09 4.11 -0.14 -0.62 -5.01 119.74 120.81 3g2x s LYS 36 Ca -0.07 -1.09 0.00 0.00 -1.36 0.00 0.00 55.97 53.46 3g2x s LYS 36 Cb -0.05 -1.78 -0.03 0.00 -1.68 0.00 0.00 37.83 34.30 3g2x s LYS 36 CO -0.14 0.45 -0.09 0.12 -0.76 0.00 0.00 175.35 174.93 3g2x s PHE 37 N -0.85 2.89 -0.16 3.18 5.36 -1.26 -1.40 117.98 125.73 3g2x s PHE 37 Ca 0.10 -0.20 0.01 0.00 -0.96 0.00 0.00 56.93 55.89 3g2x s PHE 37 Cb -0.10 -1.77 0.02 0.00 -0.34 0.00 0.00 43.02 40.83 3g2x s PHE 37 CO 0.03 0.13 -0.20 -1.58 -1.46 0.00 0.00 175.22 172.14 3g2x s TRP 38 N -0.34 2.64 0.27 10.12 0.52 0.18 -4.98 118.94 127.35 3g2x s TRP 38 Ca 0.04 -1.48 -0.04 0.00 0.02 0.00 0.00 56.10 54.65 3g2x s TRP 38 Cb -0.12 -1.83 0.37 0.00 -1.15 0.00 0.00 33.47 30.73 3g2x s TRP 38 CO 0.02 -0.72 1.93 0.66 0.02 0.00 0.00 176.95 178.87 3g2x h SER 39 N 7.73 1.05 -2.41 2.95 4.64 -1.92 -1.04 113.55 124.55 3g2x h SER 39 Ca -0.40 -0.02 0.05 0.00 -0.47 0.00 0.00 61.79 60.95 3g2x h SER 39 Cb 1.16 -0.25 -0.21 0.00 -0.31 0.00 0.00 62.40 62.79 3g2x h SER 39 CO 0.59 0.74 -0.09 -1.59 -0.87 0.00 0.00 176.83 175.62 3g2x s LYS 40 N -6.03 0.61 0.33 4.77 -2.85 -1.26 -2.67 119.74 112.64 3g2x s LYS 40 Ca -0.12 1.35 -0.29 0.00 -1.00 0.00 0.00 55.97 55.91 3g2x s LYS 40 Cb 0.18 0.57 -0.12 0.00 -2.06 0.00 0.00 37.83 36.40 3g2x s LYS 40 CO 0.81 -0.18 1.40 0.00 0.10 0.00 0.00 175.35 177.47 3g2x n ALA 41 N 5.01 1.70 -1.71 0.59 0.00 -1.26 -4.92 120.51 119.92 3g2x n ALA 41 Ca -0.15 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.23 3g2x n ALA 41 Cb 0.53 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 17.63 3g2x n ALA 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3g2x n PRO 42 N 0.98 2.34 -0.36 0.00 -0.04 -1.26 -4.80 135.00 131.87 3g2x n PRO 42 Ca 0.05 0.83 0.11 0.00 -0.04 0.00 0.00 63.50 64.45 3g2x n PRO 42 Cb 0.36 -2.53 0.29 0.00 -0.04 0.00 0.00 33.50 31.58 3g2x n PRO 42 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3g2x h ARG 43 N 4.04 0.82 -0.79 0.54 2.43 -1.96 -1.81 114.38 117.66 3g2x h ARG 43 Ca -0.46 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 58.73 3g2x h ARG 43 Cb 1.26 -0.19 -0.10 0.00 -0.42 0.00 0.00 29.97 30.52 3g2x h ARG 43 CO 0.74 0.55 -0.47 -1.71 -1.51 0.00 0.00 179.97 177.57 3g2x n ASN 44 N -4.71 -0.84 -0.36 -3.80 2.85 -1.26 -1.09 115.26 106.04 3g2x n ASN 44 Ca 0.22 1.50 0.02 0.00 -0.11 0.00 0.00 54.58 56.20 3g2x n ASN 44 Cb 0.49 -0.22 0.17 0.00 1.24 0.00 0.00 39.78 41.45 3g2x n ASN 44 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3g2x h LEU 45 N 0.00 1.06 -0.57 1.20 4.07 -1.71 -1.94 115.31 117.42 3g2x h LEU 45 Ca 0.13 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 3g2x h LEU 45 Cb 0.33 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 3g2x h LEU 45 CO -0.75 0.70 0.37 0.40 -1.08 0.00 0.00 178.44 178.08 3g2x h ILE 46 N 1.21 1.15 -0.13 1.22 1.08 -0.99 0.73 117.51 121.79 3g2x h ILE 46 Ca 0.41 -0.30 -0.19 0.00 -0.39 0.00 0.00 64.86 64.39 3g2x h ILE 46 Cb 0.09 0.33 -0.00 0.00 -3.07 0.00 0.00 36.82 34.16 3g2x h ILE 46 CO -0.15 0.15 -0.70 -0.33 -0.69 0.00 0.00 178.15 176.44 3g2x h GLU 47 N 0.77 0.54 -0.28 2.37 5.08 -0.82 0.28 114.58 122.53 3g2x h GLU 47 Ca 0.21 -0.42 0.04 0.00 -1.00 0.00 0.00 59.36 58.19 3g2x h GLU 47 Cb -0.07 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 3g2x h GLU 47 CO -0.04 1.04 0.04 1.96 -1.00 0.00 0.00 179.01 181.01 3g2x h GLN 48 N 0.38 0.14 -0.25 2.33 1.08 -1.15 0.56 115.11 118.20 3g2x h GLN 48 Ca -0.03 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.20 3g2x h GLN 48 Cb 1.28 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.64 3g2x h GLN 48 CO 0.13 0.09 0.03 1.25 -0.95 0.00 0.00 178.83 179.38 3g2x h HIS 49 N 0.14 0.05 -0.58 2.96 2.76 -0.38 -2.28 115.15 117.82 3g2x h HIS 49 Ca 0.13 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3g2x h HIS 49 Cb 0.14 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.12 3g2x h HIS 49 CO -0.18 0.00 0.00 0.66 -1.30 0.00 0.00 177.93 177.12 3g2x n TYR 50 N -5.11 1.90 -0.38 5.26 4.02 0.05 -4.64 117.16 118.27 3g2x n TYR 50 Ca -0.01 -0.68 0.35 0.00 -0.01 0.00 0.00 57.90 57.55 3g2x n TYR 50 Cb 0.12 -0.44 0.70 0.00 -0.02 0.00 0.00 39.34 39.69 3g2x n TYR 50 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 3g2x h LYS 51 N 3.94 0.09 0.00 -0.72 2.10 0.74 0.35 116.57 123.06 3g2x h LYS 51 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3g2x h LYS 51 Cb 1.82 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.14 3g2x h LYS 51 CO 0.42 0.06 0.00 0.39 -2.00 0.00 0.00 179.45 178.32 3g2x n GLU 52 N -4.30 0.05 -0.13 0.07 1.02 -1.26 -2.59 120.64 113.50 3g2x n GLU 52 Ca 0.29 0.28 0.09 0.00 -0.02 0.00 0.00 57.16 57.81 3g2x n GLU 52 Cb 1.28 -1.59 0.16 0.00 -0.02 0.00 0.00 31.44 31.27 3g2x n GLU 52 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3g2x n HIS 53 N -1.67 0.35 0.21 -0.32 8.25 0.12 -4.67 115.22 117.50 3g2x n HIS 53 Ca 0.03 -0.22 0.17 0.00 -0.26 0.00 0.00 57.72 57.44 3g2x n HIS 53 Cb 0.19 -0.00 0.84 0.00 1.12 0.00 0.00 29.99 32.14 3g2x n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3g2x h SER 54 N 3.56 0.00 -0.08 0.41 4.64 -1.60 0.53 113.55 121.02 3g2x h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g2x h SER 54 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3g2x h SER 54 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3g2x n GLU 55 N -3.72 1.94 -2.86 4.77 -0.58 -1.26 -4.91 120.64 114.00 3g2x n GLU 55 Ca 0.01 -1.37 -0.32 0.00 -0.42 0.00 0.00 57.16 55.06 3g2x n GLU 55 Cb 0.33 -1.46 -0.05 0.00 -0.57 0.00 0.00 31.44 29.68 3g2x n GLU 55 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3g2x s GLN 56 N -1.92 3.99 0.51 3.49 -1.52 0.18 -4.95 119.66 119.44 3g2x s GLN 56 Ca 0.34 0.77 0.19 0.00 -1.95 0.00 0.00 55.36 54.72 3g2x s GLN 56 Cb 0.20 -2.31 1.31 0.00 -0.22 0.00 0.00 33.01 31.99 3g2x s GLN 56 CO 0.31 -0.01 2.11 0.66 -0.25 0.00 0.00 175.29 178.11 3g2x h SER 57 N 1.69 0.00 0.58 5.90 4.64 -1.93 -2.14 113.55 122.30 3g2x h SER 57 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3g2x h SER 57 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3g2x h SER 57 CO 0.63 0.07 -0.56 0.00 -0.87 0.00 0.00 176.83 176.11 3g2x n TYR 58 N -4.24 0.14 -0.27 4.77 0.18 -1.26 -4.47 117.16 112.01 3g2x n TYR 58 Ca -0.03 0.04 0.09 0.00 1.88 0.00 0.00 57.90 59.88 3g2x n TYR 58 Cb 0.15 -0.35 0.22 0.00 -0.38 0.00 0.00 39.34 38.98 3g2x n TYR 58 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3g2x h PHE 59 N 0.00 0.28 0.21 -3.48 3.04 -1.60 0.06 116.94 115.45 3g2x h PHE 59 Ca 0.00 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 3g2x h PHE 59 Cb 0.57 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.08 3g2x h PHE 59 CO 0.00 -0.15 -0.10 -0.91 -2.02 0.00 0.00 178.31 175.13 3g2x h ASN 60 N 0.24 -0.24 -0.95 0.41 2.35 -1.80 -2.67 115.58 112.92 3g2x h ASN 60 Ca 0.47 -0.25 0.15 0.00 -0.55 0.00 0.00 56.30 56.12 3g2x h ASN 60 Cb 0.87 0.06 -0.08 0.00 0.05 0.00 0.00 38.32 39.22 3g2x h ASN 60 CO -0.59 0.16 0.60 0.44 -1.65 0.00 0.00 177.43 176.39 3g2x h ASP 61 N -0.67 0.74 -0.34 5.81 3.32 -1.76 0.60 116.42 124.12 3g2x h ASP 61 Ca -0.03 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.12 3g2x h ASP 61 Cb 0.47 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 3g2x h ASP 61 CO 0.05 0.35 0.10 0.25 -1.72 0.00 0.00 179.24 178.27 3g2x h LEU 62 N 0.77 0.08 -0.16 1.55 5.85 -0.89 -0.88 115.31 121.63 3g2x h LEU 62 Ca 0.49 0.04 -0.23 0.00 0.84 0.00 0.00 57.88 59.03 3g2x h LEU 62 Cb 0.72 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3g2x h LEU 62 CO -0.25 0.08 -0.94 0.00 -0.34 0.00 0.00 178.44 176.99 3g2x h ASP 64 N 0.27 0.04 0.47 0.00 3.32 -0.84 -2.17 116.42 117.50 3g2x h ASP 64 Ca -0.08 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 3g2x h ASP 64 Cb 1.57 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 41.18 3g2x h ASP 64 CO 0.17 0.06 -0.26 0.15 -1.72 0.00 0.00 179.24 177.64 3g2x h PHE 65 N 0.21 0.00 -0.00 4.55 3.04 -0.90 -2.77 116.94 121.07 3g2x h PHE 65 Ca 0.17 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.12 3g2x h PHE 65 Cb 0.18 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.69 3g2x h PHE 65 CO -0.18 0.26 -0.10 -1.33 -2.02 0.00 0.00 178.31 174.95 3g2x n MET 66 N -3.81 0.01 -0.17 1.11 2.81 -0.46 -2.71 117.12 113.90 3g2x n MET 66 Ca -0.01 -0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.93 3g2x n MET 66 Cb 0.35 -1.50 0.15 0.00 -0.71 0.00 0.00 33.22 31.51 3g2x n MET 66 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 3g2x n VAL 67 N -1.49 0.87 0.40 2.03 0.24 -0.97 -4.58 118.33 114.83 3g2x n VAL 67 Ca 0.07 -0.94 0.13 0.00 -2.04 0.00 0.00 64.34 61.57 3g2x n VAL 67 Cb 0.34 0.59 0.49 0.00 -1.47 0.00 0.00 33.84 33.79 3g2x n VAL 67 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3g2x h SER 68 N 2.20 0.00 -0.71 -1.34 4.64 -1.29 -3.47 113.55 113.57 3g2x h SER 68 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g2x h SER 68 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3g2x h SER 68 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3g2x n GLY 69 N 0.39 1.69 3.69 -0.77 0.00 -1.26 -5.09 105.19 103.85 3g2x n GLY 69 Ca 0.03 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 3g2x n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3g2x s PRO 70 N -1.77 1.28 0.01 1.61 0.02 -1.09 -4.50 135.00 130.55 3g2x s PRO 70 Ca 0.00 1.33 -0.04 0.00 0.02 0.00 0.00 61.00 62.30 3g2x s PRO 70 Cb 0.00 -1.77 -0.01 0.00 0.02 0.00 0.00 34.50 32.74 3g2x s PRO 70 CO 0.00 -2.38 0.08 0.42 -0.33 0.00 0.00 177.00 174.79 3g2x s ILE 71 N -2.74 0.09 -0.08 2.83 1.01 -0.39 -2.80 121.20 119.11 3g2x s ILE 71 Ca 0.65 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 60.61 3g2x s ILE 71 Cb -0.21 -0.35 0.01 0.00 0.01 0.00 0.00 42.46 41.92 3g2x s ILE 71 CO 0.58 -0.39 -0.15 -0.63 0.00 0.00 0.00 174.94 174.34 3g2x s ILE 72 N -1.29 1.42 -0.15 2.92 1.01 -0.76 -0.65 121.20 123.70 3g2x s ILE 72 Ca -0.14 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 3g2x s ILE 72 Cb -0.08 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 3g2x s ILE 72 CO 0.01 0.42 0.09 -0.94 0.00 0.00 0.00 174.94 174.51 3g2x s SER 73 N 0.67 5.88 -0.02 3.58 1.04 -0.50 0.17 113.70 124.52 3g2x s SER 73 Ca -0.14 0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.53 3g2x s SER 73 Cb -0.16 -1.93 0.01 0.00 0.10 0.00 0.00 66.02 64.04 3g2x s SER 73 CO 0.04 0.28 -0.03 -0.63 0.98 0.00 0.00 173.24 173.87 3g2x s ILE 74 N -0.24 0.37 -0.13 -1.02 1.01 0.60 -1.59 121.20 120.20 3g2x s ILE 74 Ca 0.09 -0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.51 3g2x s ILE 74 Cb -0.12 -0.37 -0.05 0.00 0.01 0.00 0.00 42.46 41.93 3g2x s ILE 74 CO 0.01 0.15 0.25 -0.69 0.00 0.00 0.00 174.94 174.66 3g2x s VAL 75 N 0.44 5.33 -0.08 2.92 1.01 0.15 -0.54 120.40 129.62 3g2x s VAL 75 Ca -0.05 0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.43 3g2x s VAL 75 Cb -0.08 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 3g2x s VAL 75 CO -0.00 0.48 -0.21 -0.31 0.00 0.00 0.00 175.10 175.05 3g2x s TYR 76 N -0.11 2.57 -0.18 5.22 1.51 -0.84 -0.75 117.35 124.77 3g2x s TYR 76 Ca 0.16 -0.70 -0.08 0.00 -1.01 0.00 0.00 57.07 55.44 3g2x s TYR 76 Cb -0.13 -1.67 -0.04 0.00 -0.11 0.00 0.00 41.96 40.01 3g2x s TYR 76 CO 0.04 -0.20 0.09 -2.00 -1.11 0.00 0.00 175.55 172.37 3g2x s GLU 77 N -0.04 3.97 0.00 -0.62 2.12 -0.11 -2.65 118.70 121.36 3g2x s GLU 77 Ca -0.06 -0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.00 3g2x s GLU 77 Cb -0.15 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 30.97 3g2x s GLU 77 CO 0.05 0.36 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 3g2x n GLY 78 N 3.30 1.23 3.62 -1.50 0.00 -0.79 -2.40 105.19 108.66 3g2x n GLY 78 Ca -0.17 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 3g2x n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g2x s THR 79 N -2.00 3.43 -1.51 2.61 2.01 -1.26 -1.19 115.64 117.73 3g2x s THR 79 Ca 0.00 0.48 -0.13 0.00 0.31 0.00 0.00 61.69 62.35 3g2x s THR 79 Cb 0.00 -3.46 0.08 0.00 0.01 0.00 0.00 72.50 69.13 3g2x s THR 79 CO 0.00 -0.21 0.91 0.47 -0.69 0.00 0.00 174.62 175.10 3g2x n ASP 80 N 9.22 -4.82 -0.22 3.53 10.43 -1.26 -4.85 116.55 128.58 3g2x n ASP 80 Ca 0.22 -0.70 -0.01 0.00 2.57 0.00 0.00 54.79 56.87 3g2x n ASP 80 Cb 0.45 -3.86 0.06 0.00 1.84 0.00 0.00 41.12 39.61 3g2x n ASP 80 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3g2x h ALA 81 N 0.97 0.36 0.06 2.24 0.00 -1.41 -2.80 119.26 118.68 3g2x h ALA 81 Ca -0.56 0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.62 3g2x h ALA 81 Cb 1.37 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 19.65 3g2x h ALA 81 CO 0.65 -0.46 -0.41 0.82 0.00 0.00 0.00 179.25 179.85 3g2x h ILE 82 N -0.03 0.17 -0.04 0.00 2.04 -1.89 -0.39 117.51 117.38 3g2x h ILE 82 Ca 0.30 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 66.03 3g2x h ILE 82 Cb 0.50 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3g2x h ILE 82 CO -0.68 0.00 -0.58 0.77 0.00 0.00 0.00 178.15 177.66 3g2x h SER 83 N -0.60 0.14 0.02 1.72 4.64 -1.87 -2.43 113.55 115.17 3g2x h SER 83 Ca 0.04 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3g2x h SER 83 Cb 0.65 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3g2x h SER 83 CO -0.28 0.69 -0.01 0.11 -0.87 0.00 0.00 176.83 176.47 3g2x h LYS 84 N 0.09 -0.02 -0.01 4.77 1.57 -1.19 -0.24 116.57 121.54 3g2x h LYS 84 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3g2x h LYS 84 Cb 1.05 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 3g2x h LYS 84 CO 0.08 0.43 -0.02 0.82 -0.57 0.00 0.00 179.45 180.19 3g2x h ILE 85 N -0.49 1.02 -0.46 1.86 2.04 -1.13 0.09 117.51 120.45 3g2x h ILE 85 Ca -0.00 -0.10 -0.11 0.00 1.00 0.00 0.00 64.86 65.65 3g2x h ILE 85 Cb 0.47 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3g2x h ILE 85 CO 0.00 0.03 -0.14 0.03 0.00 0.00 0.00 178.15 178.08 3g2x h ARG 86 N 0.01 0.87 -0.54 2.37 2.47 -1.09 -1.80 114.38 116.67 3g2x h ARG 86 Ca 0.00 -0.32 -0.07 0.00 -1.26 0.00 0.00 59.98 58.34 3g2x h ARG 86 Cb 0.05 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 3g2x h ARG 86 CO 0.00 0.95 0.07 0.00 0.56 0.00 0.00 179.97 181.55 3g2x h ARG 87 N 0.77 0.87 -0.03 0.04 2.47 0.81 -2.34 114.38 116.98 3g2x h ARG 87 Ca 0.12 -0.21 -0.09 0.00 -1.26 0.00 0.00 59.98 58.54 3g2x h ARG 87 Cb 0.66 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 3g2x h ARG 87 CO 0.05 0.83 -0.39 -0.07 0.56 0.00 0.00 179.97 180.94 3g2x h LEU 88 N 0.83 0.07 -0.49 3.04 3.38 -1.03 -3.14 115.31 117.97 3g2x h LEU 88 Ca 0.17 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 3g2x h LEU 88 Cb 0.39 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3g2x h LEU 88 CO 0.01 0.45 -0.52 -0.61 0.09 0.00 0.00 178.44 177.87 3g2x h GLN 89 N 0.06 0.65 -0.01 1.13 4.15 -0.78 0.39 115.11 120.69 3g2x h GLN 89 Ca 0.00 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 59.03 3g2x h GLN 89 Cb 0.72 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.45 3g2x h GLN 89 CO 0.05 1.01 -0.00 0.41 -1.93 0.00 0.00 178.83 178.37 3g2x n GLY 90 N 0.23 -2.58 3.71 2.39 0.00 -1.11 -2.38 105.19 105.46 3g2x n GLY 90 Ca -0.03 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 3g2x n GLY 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g2x s ASN 91 N -4.07 3.85 0.22 1.61 3.84 -1.26 -4.86 114.94 114.27 3g2x s ASN 91 Ca 0.00 2.37 -0.06 0.00 0.21 0.00 0.00 52.86 55.38 3g2x s ASN 91 Cb 0.00 -2.59 0.20 0.00 -0.55 0.00 0.00 41.25 38.31 3g2x s ASN 91 CO 0.00 -2.49 1.76 0.74 -2.79 0.00 0.00 177.10 174.31 3g2x h THR 92 N -0.64 1.26 -3.18 -5.21 2.02 -1.93 -3.40 112.91 101.83 3g2x h THR 92 Ca -0.47 -0.91 -0.58 0.00 0.77 0.00 0.00 66.41 65.22 3g2x h THR 92 Cb 1.30 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 68.16 3g2x h THR 92 CO 0.48 0.35 0.65 0.21 0.37 0.00 0.00 175.52 177.58 3g2x s ASN 93 N -6.47 7.07 0.00 4.18 3.84 -1.26 -4.34 114.94 117.96 3g2x s ASN 93 Ca -0.12 1.33 0.08 0.00 0.21 0.00 0.00 52.86 54.37 3g2x s ASN 93 Cb 0.15 -2.52 0.38 0.00 -0.55 0.00 0.00 41.25 38.71 3g2x s ASN 93 CO 0.84 -0.56 1.20 -2.65 -2.79 0.00 0.00 177.10 173.13 3g2x n PRO 94 N 5.86 0.06 0.06 0.43 -0.02 -1.26 0.14 135.00 140.27 3g2x n PRO 94 Ca 0.09 0.29 0.13 0.00 -2.02 0.00 0.00 63.50 61.99 3g2x n PRO 94 Cb 0.47 -1.50 0.42 0.00 -0.02 0.00 0.00 33.50 32.88 3g2x n PRO 94 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3g2x n LEU 95 N -1.40 0.56 -0.01 2.45 4.77 -1.26 -4.42 117.00 117.70 3g2x n LEU 95 Ca 0.03 0.47 -0.01 0.00 -0.03 0.00 0.00 56.01 56.48 3g2x n LEU 95 Cb 0.08 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 3g2x n LEU 95 CO 0.07 -0.10 -0.54 0.00 -1.33 0.00 0.00 177.39 175.49 3g2x n ALA 96 N -1.70 1.97 -1.78 -1.18 0.00 0.12 -5.05 120.51 112.90 3g2x n ALA 96 Ca 0.06 -0.07 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 3g2x n ALA 96 Cb 0.40 0.33 -0.01 0.00 0.00 0.00 0.00 19.45 20.17 3g2x n ALA 96 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3g2x s SER 97 N -3.57 6.44 -0.01 0.00 1.04 -0.40 -4.81 113.70 112.39 3g2x s SER 97 Ca -0.01 2.94 -0.17 0.00 0.48 0.00 0.00 55.95 59.19 3g2x s SER 97 Cb 0.00 -2.65 -0.06 0.00 0.10 0.00 0.00 66.02 63.41 3g2x s SER 97 CO 0.04 -0.82 0.47 0.00 0.98 0.00 0.00 173.24 173.91 3g2x s ALA 98 N -0.76 3.61 0.16 5.32 0.00 -1.26 -4.55 121.76 124.28 3g2x s ALA 98 Ca 0.55 -0.15 -0.34 0.00 0.00 0.00 0.00 51.96 52.03 3g2x s ALA 98 Cb -0.45 -2.52 -0.15 0.00 0.00 0.00 0.00 23.12 20.00 3g2x s ALA 98 CO 0.56 0.34 1.34 -2.30 0.00 0.00 0.00 175.76 175.70 3g2x n PRO 99 N 2.28 1.52 0.00 0.00 -0.02 -1.26 -1.24 135.00 136.27 3g2x n PRO 99 Ca -0.11 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3g2x n PRO 99 Cb 0.52 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3g2x n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g2x n GLY 100 N 2.44 0.53 3.91 -1.23 0.00 -1.26 -4.96 105.19 104.63 3g2x n GLY 100 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3g2x n GLY 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g2x s THR 101 N -1.04 5.17 0.39 2.61 -4.23 -0.37 -4.90 115.64 113.26 3g2x s THR 101 Ca 0.00 -0.18 0.20 0.00 -1.18 0.00 0.00 61.69 60.53 3g2x s THR 101 Cb 0.00 -3.70 0.40 0.00 1.34 0.00 0.00 72.50 70.54 3g2x s THR 101 CO 0.00 -0.12 1.69 0.40 -0.54 0.00 0.00 174.62 176.04 3g2x h ILE 102 N 1.68 0.32 0.00 2.99 2.04 -0.37 0.12 117.51 124.30 3g2x h ILE 102 Ca -0.47 -0.10 -0.28 0.00 1.00 0.00 0.00 64.86 65.01 3g2x h ILE 102 Cb 1.18 0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 3g2x h ILE 102 CO 0.69 0.05 -1.81 0.54 0.00 0.00 0.00 178.15 177.63 3g2x n ARG 103 N -4.80 0.64 0.15 2.37 1.74 -1.00 -1.93 116.66 113.83 3g2x n ARG 103 Ca 0.31 0.21 0.02 0.00 -0.77 0.00 0.00 57.85 57.62 3g2x n ARG 103 Cb 1.08 -1.73 0.16 0.00 -1.02 0.00 0.00 32.46 30.95 3g2x n ARG 103 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3g2x h GLY 104 N 3.66 0.00 0.73 -0.13 0.00 -1.45 -2.03 103.07 103.86 3g2x h GLY 104 Ca -0.31 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.70 3g2x h GLY 104 CO 0.06 0.00 -1.60 -0.55 0.00 0.00 0.00 176.54 174.45 3g2x h ASP 105 N 0.00 0.50 0.00 0.19 3.32 -0.89 -3.39 116.42 116.15 3g2x h ASP 105 Ca -0.01 -0.90 -0.03 0.00 0.02 0.00 0.00 57.03 56.11 3g2x h ASP 105 Cb 1.19 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 3g2x h ASP 105 CO 0.07 1.71 -1.29 0.18 -1.72 0.00 0.00 179.24 178.20 3g2x n LEU 106 N -3.75 0.00 -4.79 1.55 4.77 -0.81 -5.04 117.00 108.93 3g2x n LEU 106 Ca -0.25 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.40 3g2x n LEU 106 Cb 0.99 0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 42.06 3g2x n LEU 106 CO 0.46 0.04 -0.24 0.00 -1.33 0.00 0.00 177.39 176.32 3g2x s ALA 107 N -2.29 3.61 -0.13 -1.18 0.00 -0.76 -5.00 121.76 116.00 3g2x s ALA 107 Ca -0.02 -0.87 0.24 0.00 0.00 0.00 0.00 51.96 51.31 3g2x s ALA 107 Cb 0.03 -1.60 0.46 0.00 0.00 0.00 0.00 23.12 22.01 3g2x s ALA 107 CO 0.22 0.70 1.15 -1.71 0.00 0.00 0.00 175.76 176.12 3g2x n ASN 108 N 1.15 1.16 -3.63 0.00 5.15 -1.26 -4.68 115.26 113.15 3g2x n ASN 108 Ca -0.13 -2.01 -0.16 0.00 -0.60 0.00 0.00 54.58 51.68 3g2x n ASN 108 Cb 0.53 -0.35 -0.07 0.00 -0.53 0.00 0.00 39.78 39.36 3g2x n ASN 108 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3g2x s ASP 109 N -2.79 -0.52 0.32 1.20 3.68 -1.26 -4.97 116.67 112.33 3g2x s ASP 109 Ca 0.29 0.67 0.08 0.00 2.13 0.00 0.00 52.55 55.73 3g2x s ASP 109 Cb 0.35 0.65 0.53 0.00 -1.45 0.00 0.00 42.92 43.00 3g2x s ASP 109 CO -0.10 -0.46 1.74 -0.29 0.13 0.00 0.00 175.17 176.18 3g2x h ILE 110 N 3.56 1.30 0.00 4.11 6.09 -1.98 -3.33 117.51 127.26 3g2x h ILE 110 Ca -0.28 -1.45 -0.37 0.00 -1.37 0.00 0.00 64.86 61.39 3g2x h ILE 110 Cb 1.16 1.68 -0.06 0.00 0.47 0.00 0.00 36.82 40.07 3g2x h ILE 110 CO 0.33 0.43 -2.34 -1.14 -3.07 0.00 0.00 178.15 172.35 3g2x n ARG 111 N -4.04 0.56 -2.34 2.19 0.63 -1.26 -4.60 116.66 107.79 3g2x n ARG 111 Ca -0.01 0.16 -0.43 0.00 -0.92 0.00 0.00 57.85 56.65 3g2x n ARG 111 Cb 0.46 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 31.93 3g2x n ARG 111 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3g2x n GLU 112 N -3.47 3.25 -0.45 -0.14 1.02 -1.25 -4.66 120.64 114.94 3g2x n GLU 112 Ca -0.44 -3.26 0.05 0.00 -0.02 0.00 0.00 57.16 53.49 3g2x n GLU 112 Cb 0.91 -3.19 0.19 0.00 -0.02 0.00 0.00 31.44 29.33 3g2x n GLU 112 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3g2x n ASN 113 N 5.94 2.47 0.00 1.62 0.23 -1.25 -4.05 115.26 120.22 3g2x n ASN 113 Ca 0.45 -3.46 0.00 0.00 -0.53 0.00 0.00 54.58 51.04 3g2x n ASN 113 Cb 0.41 -0.52 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 3g2x n ASN 113 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3g2x n LEU 114 N -1.12 0.00 -3.87 -4.53 4.77 -1.26 -4.82 117.00 106.17 3g2x n LEU 114 Ca 0.22 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.06 3g2x n LEU 114 Cb 0.79 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.73 3g2x n LEU 114 CO 0.06 0.00 -0.37 -0.51 -1.33 0.00 0.00 177.39 175.25 3g2x s ILE 115 N 0.00 0.06 -0.09 -0.08 2.07 -1.26 -0.62 121.20 121.28 3g2x s ILE 115 Ca 0.00 -0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.22 3g2x s ILE 115 Cb 0.00 -0.08 -0.03 0.00 0.13 0.00 0.00 42.46 42.47 3g2x s ILE 115 CO 0.00 0.04 -0.01 -2.28 -1.91 0.00 0.00 174.94 170.78 3g2x s HIS 116 N 0.17 3.12 -0.04 3.50 5.65 0.92 -4.93 115.29 123.68 3g2x s HIS 116 Ca -0.01 0.12 0.01 0.00 0.25 0.00 0.00 55.06 55.43 3g2x s HIS 116 Cb -0.03 -1.80 0.02 0.00 -1.18 0.00 0.00 32.58 29.59 3g2x s HIS 116 CO -0.00 0.39 -0.04 0.00 -0.65 0.00 0.00 174.74 174.44 3g2x s ALA 117 N -0.72 0.63 0.28 1.58 0.00 -1.26 0.31 121.76 122.59 3g2x s ALA 117 Ca 0.11 -0.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.75 3g2x s ALA 117 Cb -0.12 -0.40 -0.14 0.00 0.00 0.00 0.00 23.12 22.47 3g2x s ALA 117 CO 0.02 -0.01 1.15 0.43 0.00 0.00 0.00 175.76 177.35 3g2x n SER 118 N 4.03 1.86 -0.08 0.00 7.64 -0.28 -4.94 113.62 121.84 3g2x n SER 118 Ca -0.25 1.18 0.09 0.00 1.01 0.00 0.00 58.87 60.89 3g2x n SER 118 Cb 0.51 -1.35 -0.08 0.00 -1.01 0.00 0.00 64.21 62.28 3g2x n SER 118 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3g2x n ASP 119 N 1.34 1.03 -3.64 6.43 5.75 -1.26 -4.81 116.55 121.38 3g2x n ASP 119 Ca 0.09 -1.02 -0.10 0.00 -0.01 0.00 0.00 54.79 53.76 3g2x n ASP 119 Cb 0.32 0.89 -0.03 0.00 -1.03 0.00 0.00 41.12 41.28 3g2x n ASP 119 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3g2x s SER 120 N -2.57 -0.38 0.37 -1.12 1.04 -1.26 -4.95 113.70 104.83 3g2x s SER 120 Ca 0.08 -0.32 0.11 0.00 0.48 0.00 0.00 55.95 56.30 3g2x s SER 120 Cb 0.14 0.63 0.89 0.00 0.10 0.00 0.00 66.02 67.78 3g2x s SER 120 CO 0.68 -1.10 1.86 -0.33 0.98 0.00 0.00 173.24 175.33 3g2x h GLU 121 N 2.06 0.59 0.18 4.02 5.08 -1.98 0.21 114.58 124.75 3g2x h GLU 121 Ca -0.28 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 3g2x h GLU 121 Cb 1.28 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3g2x h GLU 121 CO 0.34 0.39 -0.09 -0.44 -1.00 0.00 0.00 179.01 178.21 3g2x h ASP 122 N 0.61 -0.20 0.97 1.42 3.45 -2.00 -2.97 116.42 117.69 3g2x h ASP 122 Ca 0.46 -0.25 -0.06 0.00 0.43 0.00 0.00 57.03 57.60 3g2x h ASP 122 Cb 0.85 0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.66 3g2x h ASP 122 CO -0.21 0.16 -0.28 0.77 -1.57 0.00 0.00 179.24 178.11 3g2x h SER 123 N -0.60 0.00 -0.25 6.45 4.64 -1.88 -1.62 113.55 120.28 3g2x h SER 123 Ca -0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3g2x h SER 123 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 3g2x h SER 123 CO 0.04 0.28 0.14 0.00 -0.87 0.00 0.00 176.83 176.43 3g2x h ALA 124 N 1.72 0.33 -0.30 5.18 0.00 -0.99 0.86 119.26 126.05 3g2x h ALA 124 Ca -0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3g2x h ALA 124 Cb 0.85 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3g2x h ALA 124 CO 0.04 -0.15 -0.17 0.28 0.00 0.00 0.00 179.25 179.24 3g2x h VAL 125 N 0.31 1.30 0.68 0.00 2.07 -1.33 0.31 116.25 119.58 3g2x h VAL 125 Ca 0.09 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 3g2x h VAL 125 Cb 0.05 1.49 0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3g2x h VAL 125 CO -0.02 0.41 -0.33 -0.78 0.02 0.00 0.00 177.57 176.88 3g2x h ASP 126 N 0.40 -0.77 -0.63 0.57 3.58 -1.21 0.25 116.42 118.61 3g2x h ASP 126 Ca 0.06 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.56 3g2x h ASP 126 Cb 0.71 0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.92 3g2x h ASP 126 CO 0.05 -0.49 0.42 -0.33 -2.88 0.00 0.00 179.24 176.00 3g2x h GLU 127 N -1.00 0.68 -0.47 0.28 5.08 0.76 -0.88 114.58 119.02 3g2x h GLU 127 Ca -0.09 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.11 3g2x h GLU 127 Cb 0.72 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3g2x h GLU 127 CO 0.15 0.45 -0.17 0.82 -1.00 0.00 0.00 179.01 179.27 3g2x h ILE 128 N 0.70 1.27 -0.24 3.13 2.04 -0.78 -2.40 117.51 121.23 3g2x h ILE 128 Ca 0.26 -1.30 -0.05 0.00 1.00 0.00 0.00 64.86 64.77 3g2x h ILE 128 Cb 0.14 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3g2x h ILE 128 CO -0.07 0.45 -0.06 0.77 0.00 0.00 0.00 178.15 179.23 3g2x h SER 129 N 0.80 0.35 -0.10 1.72 4.64 0.43 -1.20 113.55 120.19 3g2x h SER 129 Ca 0.12 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.29 3g2x h SER 129 Cb 0.71 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3g2x h SER 129 CO 0.05 0.46 -0.24 0.40 -0.87 0.00 0.00 176.83 176.63 3g2x h ILE 130 N 0.35 1.39 0.00 0.95 2.04 -1.12 -3.19 117.51 117.94 3g2x h ILE 130 Ca 0.08 -1.55 -0.05 0.00 1.00 0.00 0.00 64.86 64.34 3g2x h ILE 130 Cb 0.34 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 3g2x h ILE 130 CO 0.02 0.45 -0.44 -0.50 0.00 0.00 0.00 178.15 177.68 3g2x h TRP 131 N -0.10 0.00 -2.55 1.37 4.06 -1.32 -3.39 115.95 114.02 3g2x h TRP 131 Ca -0.00 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.36 3g2x h TRP 131 Cb 0.84 0.00 -0.39 0.00 -1.00 0.00 0.00 29.16 28.61 3g2x h TRP 131 CO 0.11 0.21 -0.88 -0.06 -3.56 0.00 0.00 178.44 174.27 3g2x s PHE 132 N -3.13 0.88 -0.77 0.49 0.08 -0.46 -4.98 117.98 110.08 3g2x s PHE 132 Ca 0.04 -1.84 0.00 0.00 0.12 0.00 0.00 56.93 55.25 3g2x s PHE 132 Cb 0.07 -0.96 0.00 0.00 -0.57 0.00 0.00 43.02 41.56 3g2x s PHE 132 CO 0.72 -0.83 0.19 -2.30 -0.10 0.00 0.00 175.22 172.91