#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gig h PHE 3 N 0.00 0.00 0.00 0.66 0.04 -1.99 -3.32 116.94 112.34 2gig h PHE 3 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2gig h PHE 3 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 2gig h PHE 3 CO 0.00 0.23 -1.05 0.44 -0.60 0.00 0.00 178.31 177.33 2gig n ILE 4 N -3.03 0.66 -0.26 -0.55 -6.64 -1.26 -4.23 119.36 104.05 2gig n ILE 4 Ca 0.01 -0.56 -0.03 0.00 -1.77 0.00 0.00 62.75 60.40 2gig n ILE 4 Cb 0.63 -0.37 0.09 0.00 -1.44 0.00 0.00 39.64 38.56 2gig n ILE 4 CO 0.00 0.00 0.00 0.50 -1.77 0.00 0.00 176.55 175.28 2gig h LYS 5 N 0.00 0.87 -0.65 6.28 3.64 -2.00 -0.48 116.57 124.23 2gig h LYS 5 Ca -0.01 -0.05 0.18 0.00 -1.27 0.00 0.00 60.65 59.49 2gig h LYS 5 Cb 1.05 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 2gig h LYS 5 CO 0.00 0.57 0.46 -1.35 -2.27 0.00 0.00 179.45 176.87 2gig h PRO 6 N 0.89 0.08 -0.15 1.90 0.11 -1.77 -1.35 132.00 131.71 2gig h PRO 6 Ca 0.30 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.40 2gig h PRO 6 Cb 0.04 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 2gig h PRO 6 CO -0.12 0.06 -0.01 0.44 -0.21 0.00 0.00 178.00 178.15 2gig n ILE 7 N -4.38 2.13 -0.31 4.15 -5.35 -0.73 -4.73 119.36 110.15 2gig n ILE 7 Ca 0.13 -2.09 -0.03 0.00 -0.27 0.00 0.00 62.75 60.49 2gig n ILE 7 Cb 0.67 -0.25 0.13 0.00 -1.74 0.00 0.00 39.64 38.45 2gig n ILE 7 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 2gig h TYR 8 N 1.02 1.16 -0.80 4.28 3.20 0.08 -1.79 116.97 124.12 2gig h TYR 8 Ca 0.01 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.93 2gig h TYR 8 Cb 1.26 -0.38 -0.05 0.00 1.54 0.00 0.00 36.73 39.11 2gig h TYR 8 CO 0.31 0.78 0.52 1.96 -1.64 0.00 0.00 178.16 180.10 2gig h GLN 9 N 1.20 0.83 -0.21 1.82 1.08 -1.85 0.87 115.11 118.86 2gig h GLN 9 Ca 0.31 -0.05 -0.16 0.00 -1.45 0.00 0.00 58.65 57.30 2gig h GLN 9 Cb -0.02 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.23 2gig h GLN 9 CO -0.05 0.55 -0.49 -0.44 -0.95 0.00 0.00 178.83 177.45 2gig h ASP 10 N 0.85 0.79 -0.50 1.46 3.32 -1.73 -2.40 116.42 118.21 2gig h ASP 10 Ca 0.35 -0.56 0.01 0.00 0.02 0.00 0.00 57.03 56.84 2gig h ASP 10 Cb 0.25 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 2gig h ASP 10 CO -0.12 1.21 0.32 0.40 -1.72 0.00 0.00 179.24 179.33 2gig h ILE 11 N 0.40 1.11 -0.37 0.35 2.04 -0.53 -0.87 117.51 119.63 2gig h ILE 11 Ca -0.00 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.67 2gig h ILE 11 Cb 1.10 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 2gig h ILE 11 CO 0.11 0.12 0.15 -1.13 0.00 0.00 0.00 178.15 177.40 2gig h ASN 12 N 0.66 0.19 -0.57 1.72 -0.73 -0.83 -0.50 115.58 115.52 2gig h ASN 12 Ca 0.19 0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.38 2gig h ASN 12 Cb -0.05 0.01 -0.03 0.00 0.27 0.00 0.00 38.32 38.52 2gig h ASN 12 CO -0.05 0.14 0.32 0.28 -0.37 0.00 0.00 177.43 177.75 2gig h SER 13 N 0.32 0.71 -0.17 1.15 0.02 -0.97 -2.37 113.55 112.23 2gig h SER 13 Ca 0.16 -0.08 -0.15 0.00 -0.84 0.00 0.00 61.79 60.88 2gig h SER 13 Cb 0.12 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2gig h SER 13 CO -0.15 0.59 -0.42 0.40 -1.14 0.00 0.00 176.83 176.11 2gig h ILE 14 N 0.77 1.29 -0.28 3.27 1.08 -0.87 -3.29 117.51 119.49 2gig h ILE 14 Ca 0.20 -1.60 -0.17 0.00 -0.39 0.00 0.00 64.86 62.90 2gig h ILE 14 Cb 0.03 1.52 0.00 0.00 -3.07 0.00 0.00 36.82 35.30 2gig h ILE 14 CO -0.03 0.52 -0.50 -0.07 -0.69 0.00 0.00 178.15 177.37 2gig h LEU 15 N 0.58 0.92 -9.52 1.44 3.38 -1.00 -3.41 115.31 107.71 2gig h LEU 15 Ca 0.04 -0.53 -0.53 0.00 0.09 0.00 0.00 57.88 56.95 2gig h LEU 15 Cb 0.97 -0.26 0.03 0.00 0.09 0.00 0.00 40.66 41.49 2gig h LEU 15 CO 0.09 1.28 1.01 -0.63 0.09 0.00 0.00 178.44 180.28 2gig s ILE 16 N -4.13 2.71 0.00 1.22 1.01 -0.90 -1.66 121.20 119.44 2gig s ILE 16 Ca -0.11 0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.84 2gig s ILE 16 Cb 0.09 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.37 2gig s ILE 16 CO 0.88 0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.43 2gig n GLY 17 N 4.01 3.20 3.78 6.18 0.00 0.12 -4.97 105.19 117.52 2gig n GLY 17 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2gig n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gig s GLN 18 N -0.74 3.39 0.18 1.61 -0.21 -0.67 -4.74 119.66 118.49 2gig s GLN 18 Ca 0.00 1.52 0.08 0.00 0.02 0.00 0.00 55.36 56.99 2gig s GLN 18 Cb 0.00 -2.02 -0.04 0.00 1.00 0.00 0.00 33.01 31.95 2gig s GLN 18 CO 0.00 -0.80 -0.17 0.15 -2.12 0.00 0.00 175.29 172.35 2gig s LYS 19 N -3.39 1.31 0.01 2.91 1.02 -1.26 -1.42 119.74 118.92 2gig s LYS 19 Ca 0.71 -1.48 0.03 0.00 0.02 0.00 0.00 55.97 55.25 2gig s LYS 19 Cb -0.22 -1.28 -0.01 0.00 -0.52 0.00 0.00 37.83 35.80 2gig s LYS 19 CO 0.27 0.25 -0.09 0.14 -0.92 0.00 0.00 175.35 175.00 2gig s VAL 20 N -2.34 0.69 0.39 3.17 -7.23 -0.38 -4.95 120.40 109.76 2gig s VAL 20 Ca 0.18 -0.57 -0.27 0.00 -1.81 0.00 0.00 61.98 59.51 2gig s VAL 20 Cb -0.04 -0.62 -0.10 0.00 0.56 0.00 0.00 36.38 36.17 2gig s VAL 20 CO 0.07 0.06 1.48 2.29 -0.31 0.00 0.00 175.10 178.69 2gig n LYS 21 N 2.50 2.59 -2.20 4.82 0.00 -1.26 -0.68 118.16 123.92 2gig n LYS 21 Ca -0.16 0.91 -0.41 0.00 -0.00 0.00 0.00 58.31 58.66 2gig n LYS 21 Cb 0.56 -2.66 -0.03 0.00 -0.00 0.00 0.00 35.03 32.90 2gig n LYS 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2gig s ARG 22 N -2.18 4.41 0.00 -1.58 3.52 -0.39 -4.72 118.95 118.02 2gig s ARG 22 Ca 0.55 2.11 0.00 0.00 -0.13 0.00 0.00 55.73 58.26 2gig s ARG 22 Cb -0.47 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 29.81 2gig s ARG 22 CO 0.62 -0.13 0.00 -0.35 -0.81 0.00 0.00 175.30 174.64 2gig n PRO 23 N 1.21 2.07 0.00 5.12 -0.04 -1.26 -5.01 135.00 137.10 2gig n PRO 23 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2gig n PRO 23 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 2gig n PRO 23 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2gig n HIS 31 N -0.03 0.00 -2.15 0.54 -0.00 -1.26 -5.18 115.22 107.15 2gig n HIS 31 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2gig n HIS 31 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2gig n HIS 31 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2gig n ALA 32 N -3.00 -1.49 -0.33 -1.41 0.00 -1.26 -4.47 120.51 108.55 2gig n ALA 32 Ca 0.00 0.24 0.19 0.00 0.00 0.00 0.00 53.44 53.88 2gig n ALA 32 Cb 0.00 -0.99 0.40 0.00 0.00 0.00 0.00 19.45 18.87 2gig n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gig h ALA 33 N 4.13 1.76 -0.07 0.00 0.00 -2.02 -1.92 119.26 121.15 2gig h ALA 33 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2gig h ALA 33 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2gig h ALA 33 CO 0.00 -0.44 0.00 0.41 0.00 0.00 0.00 179.25 179.22 2gig n GLY 34 N -1.31 -0.01 0.47 0.00 0.00 -1.26 -4.39 105.19 98.68 2gig n GLY 34 Ca 0.28 -0.40 0.29 0.00 0.00 0.00 0.00 46.02 46.18 2gig n GLY 34 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gig h GLU 35 N 2.04 0.03 0.00 1.61 5.08 -1.57 -0.98 114.58 120.80 2gig h GLU 35 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2gig h GLU 35 Cb 0.44 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2gig h GLU 35 CO 0.00 0.02 0.00 -1.35 -1.00 0.00 0.00 179.01 176.68 2gig h PRO 36 N 0.04 0.00 0.00 2.33 0.11 -1.83 -1.91 132.00 130.73 2gig h PRO 36 Ca 0.45 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.51 2gig h PRO 36 Cb 1.74 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.84 2gig h PRO 36 CO -0.02 0.00 -0.24 0.74 -0.21 0.00 0.00 178.00 178.26 2gig h PHE 37 N 0.00 0.00 -0.20 0.65 -1.00 -1.53 -2.20 116.94 112.67 2gig h PHE 37 Ca 0.00 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.82 2gig h PHE 37 Cb 0.03 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.58 2gig h PHE 37 CO 0.00 0.24 0.14 1.49 -1.61 0.00 0.00 178.31 178.57 2gig h GLU 38 N 0.00 0.10 0.00 1.51 4.22 -1.55 0.12 114.58 118.98 2gig h GLU 38 Ca -0.00 -0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.33 2gig h GLU 38 Cb 0.50 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2gig h GLU 38 CO 0.03 0.07 -0.49 0.87 -2.18 0.00 0.00 179.01 177.31 2gig h LYS 39 N 0.10 0.00 0.00 1.92 1.79 -1.57 -2.14 116.57 116.67 2gig h LYS 39 Ca 0.09 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.38 2gig h LYS 39 Cb 0.22 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 2gig h LYS 39 CO -0.01 0.49 -0.83 -0.07 -1.08 0.00 0.00 179.45 177.95 2gig h LEU 40 N 0.00 0.00 -0.30 2.94 3.38 -0.86 -2.38 115.31 118.09 2gig h LEU 40 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2gig h LEU 40 Cb 0.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2gig h LEU 40 CO 0.06 0.83 -0.22 0.58 0.09 0.00 0.00 178.44 179.78 2gig h VAL 41 N 0.00 1.30 -0.60 1.22 2.07 -1.17 -2.56 116.25 116.51 2gig h VAL 41 Ca -0.01 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.16 2gig h VAL 41 Cb 1.52 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.78 2gig h VAL 41 CO 0.11 0.43 0.38 0.22 0.02 0.00 0.00 177.57 178.73 2gig h TYR 42 N 0.42 0.78 -0.05 1.57 5.03 -1.34 -1.94 116.97 121.45 2gig h TYR 42 Ca 0.06 0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.40 2gig h TYR 42 Cb 0.77 -0.26 -0.03 0.00 1.55 0.00 0.00 36.73 38.75 2gig h TYR 42 CO 0.07 0.52 -0.14 -0.22 -1.32 0.00 0.00 178.16 177.07 2gig h LYS 43 N 0.82 -0.20 -0.68 1.82 3.64 -1.33 0.19 116.57 120.83 2gig h LYS 43 Ca 0.22 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 2gig h LYS 43 Cb -0.05 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2gig h LYS 43 CO -0.04 -0.13 0.40 0.35 -2.27 0.00 0.00 179.45 177.76 2gig h PHE 44 N -0.21 0.90 -0.52 1.91 3.57 -1.31 -1.39 116.94 119.90 2gig h PHE 44 Ca 0.06 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 2gig h PHE 44 Cb 0.29 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2gig h PHE 44 CO -0.22 0.61 0.07 -0.07 -2.23 0.00 0.00 178.31 176.48 2gig h LEU 45 N 0.92 0.83 -1.39 0.59 4.07 -1.00 -0.74 115.31 118.59 2gig h LEU 45 Ca 0.24 -0.27 -0.06 0.00 0.08 0.00 0.00 57.88 57.87 2gig h LEU 45 Cb -0.02 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.49 2gig h LEU 45 CO -0.04 0.89 -0.29 0.50 -1.08 0.00 0.00 178.44 178.41 2gig h LYS 46 N 0.74 0.02 0.00 1.13 1.63 -0.35 0.74 116.57 120.48 2gig h LYS 46 Ca 0.15 -0.01 -0.19 0.00 -0.85 0.00 0.00 60.65 59.76 2gig h LYS 46 Cb 0.42 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.02 2gig h LYS 46 CO 0.01 0.31 -1.04 0.93 -3.45 0.00 0.00 179.45 176.22 2gig h GLU 47 N 0.02 0.00 0.00 1.90 5.08 -0.97 -2.91 114.58 117.70 2gig h GLU 47 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 2gig h GLU 47 Cb 0.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2gig h GLU 47 CO 0.04 0.71 -1.98 0.09 -1.00 0.00 0.00 179.01 176.87 2gig n ASN 48 N -3.22 0.70 -2.61 1.42 3.02 -0.31 -4.56 115.26 109.71 2gig n ASN 48 Ca -0.03 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.37 2gig n ASN 48 Cb 0.90 1.52 0.02 0.00 -0.61 0.00 0.00 39.78 41.61 2gig n ASN 48 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2gig n LEU 49 N -2.33 2.42 -0.32 3.41 4.77 0.26 -4.98 117.00 120.22 2gig n LEU 49 Ca -0.12 -4.16 0.14 0.00 -0.03 0.00 0.00 56.01 51.84 2gig n LEU 49 Cb 0.70 0.16 0.29 0.00 -2.33 0.00 0.00 43.42 42.24 2gig n LEU 49 CO 0.39 1.76 0.85 0.28 -1.33 0.00 0.00 177.39 179.33 2gig h SER 50 N 2.87 -0.32 0.25 -1.43 0.02 -1.55 -1.03 113.55 112.36 2gig h SER 50 Ca 0.02 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2gig h SER 50 Cb 1.10 0.41 0.00 0.00 0.14 0.00 0.00 62.40 64.06 2gig h SER 50 CO 0.60 -0.30 -0.14 0.47 -1.14 0.00 0.00 176.83 176.32 2gig n ASP 51 N -5.41 0.78 -0.01 3.07 8.00 -1.26 -3.96 116.55 117.77 2gig n ASP 51 Ca 0.22 -0.83 0.07 0.00 0.71 0.00 0.00 54.79 54.96 2gig n ASP 51 Cb 0.74 0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.75 2gig n ASP 51 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2gig n LEU 52 N -0.70 0.11 -4.69 0.64 4.32 -0.46 -4.89 117.00 111.33 2gig n LEU 52 Ca 0.15 -0.09 -0.38 0.00 -0.02 0.00 0.00 56.01 55.66 2gig n LEU 52 Cb 0.30 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.04 2gig n LEU 52 CO 0.23 0.03 0.19 -0.89 -1.22 0.00 0.00 177.39 175.73 2gig s THR 53 N -2.80 5.15 -0.02 -5.08 2.01 -0.78 -0.77 115.64 113.36 2gig s THR 53 Ca -0.03 0.93 -0.10 0.00 0.31 0.00 0.00 61.69 62.80 2gig s THR 53 Cb 0.09 -3.82 0.01 0.00 0.01 0.00 0.00 72.50 68.79 2gig s THR 53 CO 0.55 0.25 0.22 -0.36 -0.69 0.00 0.00 174.62 174.59 2gig s PHE 54 N 1.14 -0.08 0.58 4.92 0.08 0.05 -4.95 117.98 119.71 2gig s PHE 54 Ca 0.24 0.13 -0.14 0.00 0.12 0.00 0.00 56.93 57.28 2gig s PHE 54 Cb -0.15 0.03 -0.05 0.00 -0.57 0.00 0.00 43.02 42.27 2gig s PHE 54 CO 0.10 -0.30 1.01 0.15 -0.10 0.00 0.00 175.22 176.08 2gig s LYS 55 N -1.15 3.69 0.21 0.44 -0.14 -1.26 0.55 119.74 122.08 2gig s LYS 55 Ca -0.12 0.88 -0.10 0.00 -1.36 0.00 0.00 55.97 55.27 2gig s LYS 55 Cb -0.06 -2.09 0.22 0.00 -1.68 0.00 0.00 37.83 34.22 2gig s LYS 55 CO 0.02 -0.49 1.81 0.37 -0.76 0.00 0.00 175.35 176.31 2gig h GLN 56 N 0.23 0.69 0.00 1.68 4.15 -1.80 -1.39 115.11 118.67 2gig h GLN 56 Ca -0.45 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 58.86 2gig h GLN 56 Cb 1.19 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.72 2gig h GLN 56 CO 0.61 0.45 -0.31 0.10 -1.93 0.00 0.00 178.83 177.76 2gig h TYR 57 N 0.71 0.00 -0.39 3.99 -0.00 -1.92 -2.54 116.97 116.81 2gig h TYR 57 Ca 0.29 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.92 2gig h TYR 57 Cb 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.86 2gig h TYR 57 CO -0.07 0.31 -0.13 0.93 -0.00 0.00 0.00 178.16 179.19 2gig h GLU 58 N 0.00 0.78 -0.52 0.10 5.08 -1.61 -0.56 114.58 117.86 2gig h GLU 58 Ca -0.00 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2gig h GLU 58 Cb 0.58 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2gig h GLU 58 CO 0.04 0.94 0.33 -0.92 -1.00 0.00 0.00 179.01 178.39 2gig h TYR 59 N 0.59 0.68 -0.27 4.33 3.20 -1.12 0.17 116.97 124.54 2gig h TYR 59 Ca 0.09 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 2gig h TYR 59 Cb 0.67 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 2gig h TYR 59 CO 0.05 0.45 0.15 -0.07 -1.64 0.00 0.00 178.16 177.10 2gig h LEU 60 N 0.70 0.34 -0.57 2.82 3.38 -1.31 -0.02 115.31 120.65 2gig h LEU 60 Ca 0.19 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2gig h LEU 60 Cb -0.04 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2gig h LEU 60 CO -0.04 0.33 0.35 0.78 0.09 0.00 0.00 178.44 179.96 2gig h ASN 61 N 0.33 0.67 -0.73 -0.43 2.35 -0.74 -1.71 115.58 115.32 2gig h ASN 61 Ca 0.10 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 2gig h ASN 61 Cb 0.07 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 2gig h ASN 61 CO -0.02 0.52 0.35 0.44 -1.65 0.00 0.00 177.43 177.08 2gig h ASP 62 N 0.77 0.96 -0.67 5.81 3.32 -0.40 -0.15 116.42 126.06 2gig h ASP 62 Ca 0.21 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2gig h ASP 62 Cb -0.04 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 2gig h ASP 62 CO -0.04 0.83 0.32 0.25 -1.72 0.00 0.00 179.24 178.88 2gig h LEU 63 N 1.03 0.87 0.00 1.55 5.85 -0.65 -2.16 115.31 121.80 2gig h LEU 63 Ca 0.25 -0.13 -0.26 0.00 0.84 0.00 0.00 57.88 58.58 2gig h LEU 63 Cb 0.12 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 40.94 2gig h LEU 63 CO -0.03 0.76 -1.13 -0.26 -0.34 0.00 0.00 178.44 177.44 2gig h PHE 64 N 0.92 0.70 -0.59 1.25 0.05 -1.17 -3.24 116.94 114.87 2gig h PHE 64 Ca 0.23 -0.44 -0.00 0.00 3.82 0.00 0.00 57.97 61.58 2gig h PHE 64 Cb 0.11 -0.06 -0.03 0.00 2.00 0.00 0.00 35.95 37.98 2gig h PHE 64 CO 0.00 1.29 0.36 0.52 -0.18 0.00 0.00 178.31 180.30 2gig h MET 65 N 0.20 0.79 0.00 1.51 2.86 -0.95 -1.64 114.93 117.70 2gig h MET 65 Ca -0.13 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2gig h MET 65 Cb 1.80 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 33.29 2gig h MET 65 CO 0.20 0.55 0.00 -0.22 1.06 0.00 0.00 176.91 178.50 2gig h LYS 66 N 0.81 0.00 -2.15 1.72 3.64 -1.43 -3.31 116.57 115.85 2gig h LYS 66 Ca 0.21 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 59.05 2gig h LYS 66 Cb -0.04 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.37 2gig h LYS 66 CO -0.04 0.00 -0.89 0.09 -2.27 0.00 0.00 179.45 176.33 2gig n ASN 67 N -2.69 2.67 -0.01 4.20 3.02 -0.62 -4.95 115.26 116.89 2gig n ASN 67 Ca 0.02 -3.33 0.20 0.00 -0.03 0.00 0.00 54.58 51.43 2gig n ASN 67 Cb 0.29 -0.60 0.67 0.00 -0.61 0.00 0.00 39.78 39.54 2gig n ASN 67 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2gig h PRO 68 N 3.15 0.04 0.00 3.52 0.13 -1.66 -0.62 132.00 136.55 2gig h PRO 68 Ca 0.12 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2gig h PRO 68 Cb 0.73 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2gig h PRO 68 CO 0.67 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.46 2gig h ALA 69 N 1.73 1.00 -1.80 -0.56 0.00 -1.92 -3.41 119.26 114.30 2gig h ALA 69 Ca 0.26 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.56 2gig h ALA 69 Cb 0.99 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.66 2gig h ALA 69 CO -0.01 0.00 0.56 0.42 0.00 0.00 0.00 179.25 180.22 2gig s ILE 70 N -3.25 4.39 0.08 0.00 -1.09 -0.24 -5.01 121.20 116.07 2gig s ILE 70 Ca 0.07 0.21 0.07 0.00 -2.23 0.00 0.00 60.65 58.77 2gig s ILE 70 Cb 0.10 -4.55 -0.04 0.00 -1.58 0.00 0.00 42.46 36.40 2gig s ILE 70 CO 0.50 -1.14 -0.15 -0.63 -1.23 0.00 0.00 174.94 172.29 2gig s ILE 71 N 3.95 3.06 0.00 2.92 -1.09 -1.26 -4.75 121.20 124.02 2gig s ILE 71 Ca 0.29 -1.26 0.00 0.00 -2.23 0.00 0.00 60.65 57.45 2gig s ILE 71 Cb -0.13 -2.37 0.00 0.00 -1.58 0.00 0.00 42.46 38.38 2gig s ILE 71 CO 0.18 0.21 0.00 0.61 -1.23 0.00 0.00 174.94 174.71 2gig n GLY 72 N 1.09 0.67 0.27 6.18 0.00 -1.26 -4.39 105.19 107.74 2gig n GLY 72 Ca -0.15 -1.60 -0.07 0.00 0.00 0.00 0.00 46.02 44.20 2gig n GLY 72 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2gig h HIS 73 N 0.00 0.86 -0.18 1.61 2.07 -1.83 -1.63 115.15 116.05 2gig h HIS 73 Ca 0.00 -0.17 0.00 0.00 -2.85 0.00 0.00 60.37 57.35 2gig h HIS 73 Cb 0.00 -0.21 -0.01 0.00 2.57 0.00 0.00 27.41 29.76 2gig h HIS 73 CO 0.00 0.88 0.12 0.93 -3.07 0.00 0.00 177.93 176.79 2gig h GLU 74 N 0.69 0.24 -0.34 5.12 5.08 -1.94 0.73 114.58 124.17 2gig h GLU 74 Ca 0.11 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 2gig h GLU 74 Cb 0.65 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2gig h GLU 74 CO 0.05 0.18 -0.37 0.00 -1.00 0.00 0.00 179.01 177.86 2gig h ALA 75 N 1.05 0.71 -0.44 3.43 0.00 -1.75 -2.96 119.26 119.30 2gig h ALA 75 Ca 0.07 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 2gig h ALA 75 Cb -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2gig h ALA 75 CO -0.01 0.66 -0.08 0.00 0.00 0.00 0.00 179.25 179.82 2gig h ARG 76 N 0.65 0.76 -0.16 0.00 3.08 -1.09 -2.48 114.38 115.14 2gig h ARG 76 Ca 0.06 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 2gig h ARG 76 Cb 0.92 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2gig h ARG 76 CO 0.08 0.83 -0.02 1.88 -1.07 0.00 0.00 179.97 181.67 2gig h TYR 77 N 0.70 0.23 0.00 3.04 0.05 -0.71 -1.26 116.97 119.02 2gig h TYR 77 Ca 0.12 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.89 2gig h TYR 77 Cb 0.55 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 38.21 2gig h TYR 77 CO 0.03 0.26 -0.02 0.87 -1.05 0.00 0.00 178.16 178.26 2gig h LYS 78 N 0.23 0.00 0.00 4.88 1.57 -1.29 -2.62 116.57 119.35 2gig h LYS 78 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2gig h LYS 78 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2gig h LYS 78 CO 0.01 0.02 0.00 -0.07 -0.57 0.00 0.00 179.45 178.83 2gig h LEU 79 N 0.00 0.00 -0.63 2.94 3.38 -1.24 -2.63 115.31 117.12 2gig h LEU 79 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2gig h LEU 79 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2gig h LEU 79 CO 0.00 0.00 -0.12 -0.26 0.09 0.00 0.00 178.44 178.15 2gig h PHE 80 N 0.00 0.00 -4.77 1.13 -1.00 -1.63 -3.47 116.94 107.20 2gig h PHE 80 Ca 0.00 0.00 -0.32 0.00 2.81 0.00 0.00 57.97 60.46 2gig h PHE 80 Cb 0.21 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.73 2gig h PHE 80 CO 0.00 0.12 -0.46 0.09 -1.61 0.00 0.00 178.31 176.45 2gig n ASN 81 N -3.17 -3.91 -3.36 2.17 3.02 -0.99 -4.85 115.26 104.16 2gig n ASN 81 Ca 0.02 -0.15 0.02 0.00 -0.03 0.00 0.00 54.58 54.44 2gig n ASN 81 Cb 0.48 -3.27 -0.04 0.00 -0.61 0.00 0.00 39.78 36.34 2gig n ASN 81 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2gig s SER 82 N -2.45 -0.44 0.24 6.41 0.15 -1.26 -5.04 113.70 111.31 2gig s SER 82 Ca 0.24 0.61 -0.06 0.00 0.70 0.00 0.00 55.95 57.43 2gig s SER 82 Cb -0.12 1.49 0.24 0.00 -1.71 0.00 0.00 66.02 65.91 2gig s SER 82 CO 0.29 -0.09 1.87 -0.65 1.20 0.00 0.00 173.24 175.86 2gig h PRO 83 N 7.30 1.24 -0.41 5.44 0.11 -1.96 0.57 132.00 144.29 2gig h PRO 83 Ca -0.16 -0.14 -0.10 0.00 0.11 0.00 0.00 66.00 65.71 2gig h PRO 83 Cb 1.12 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 2gig h PRO 83 CO 0.08 0.90 -0.13 1.15 -0.21 0.00 0.00 178.00 179.79 2gig h THR 84 N 1.25 1.28 -0.17 -1.15 2.02 -1.95 -1.22 112.91 112.97 2gig h THR 84 Ca 0.32 -1.25 -0.16 0.00 0.77 0.00 0.00 66.41 66.09 2gig h THR 84 Cb 0.01 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2gig h THR 84 CO -0.05 0.42 -0.56 -0.07 0.37 0.00 0.00 175.52 175.63 2gig h LEU 85 N 0.64 0.57 -0.23 2.58 4.07 -1.89 -1.78 115.31 119.27 2gig h LEU 85 Ca 0.10 -0.30 0.02 0.00 0.08 0.00 0.00 57.88 57.78 2gig h LEU 85 Cb 0.67 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 2gig h LEU 85 CO 0.05 1.01 0.09 0.25 -1.08 0.00 0.00 178.44 178.75 2gig h LEU 86 N 0.39 0.12 -0.40 1.67 5.85 -0.73 0.16 115.31 122.36 2gig h LEU 86 Ca 0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2gig h LEU 86 Cb 1.09 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 2gig h LEU 86 CO 0.10 0.10 0.26 0.15 -0.34 0.00 0.00 178.44 178.71 2gig h PHE 87 N 0.20 0.50 0.00 1.25 3.57 -1.03 -1.82 116.94 119.61 2gig h PHE 87 Ca 0.10 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.46 2gig h PHE 87 Cb 0.05 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 2gig h PHE 87 CO -0.11 0.32 -0.68 -0.07 -2.23 0.00 0.00 178.31 175.55 2gig h LEU 88 N 0.54 0.00 0.00 0.59 3.38 -1.07 -3.40 115.31 115.35 2gig h LEU 88 Ca 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2gig h LEU 88 Cb -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2gig h LEU 88 CO -0.03 0.68 -1.33 0.18 0.09 0.00 0.00 178.44 178.03 2gig n LEU 89 N -3.57 0.00 -4.78 1.67 4.77 0.02 -4.30 117.00 110.81 2gig n LEU 89 Ca -0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.66 2gig n LEU 89 Cb 0.70 0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.90 2gig n LEU 89 CO 0.42 0.03 0.71 -0.94 -1.33 0.00 0.00 177.39 176.29 2gig s SER 90 N -2.99 4.88 0.49 -1.43 1.04 -0.69 -4.99 113.70 110.01 2gig s SER 90 Ca -0.03 1.81 0.06 0.00 0.48 0.00 0.00 55.95 58.27 2gig s SER 90 Cb 0.04 -2.52 0.03 0.00 0.10 0.00 0.00 66.02 63.66 2gig s SER 90 CO 0.27 -1.78 0.67 -0.13 0.98 0.00 0.00 173.24 173.25 2gig s ARG 91 N -4.74 2.65 1.15 4.02 1.81 -1.26 -5.01 118.95 117.57 2gig s ARG 91 Ca 0.62 -1.13 -0.13 0.00 -1.72 0.00 0.00 55.73 53.36 2gig s ARG 91 Cb -0.17 -2.65 0.25 0.00 -0.45 0.00 0.00 34.95 31.93 2gig s ARG 91 CO 0.52 -0.51 0.89 0.41 -0.68 0.00 0.00 175.30 175.94 2gig n GLY 92 N -2.07 -1.93 0.10 -3.53 0.00 -1.26 -4.69 105.19 91.80 2gig n GLY 92 Ca 0.09 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 2gig n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gig h LYS 93 N -2.53 0.20 -0.37 1.61 1.57 -1.98 -0.13 116.57 114.94 2gig h LYS 93 Ca -0.59 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.14 2gig h LYS 93 Cb 1.33 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 2gig h LYS 93 CO 0.47 0.13 0.08 0.00 -0.57 0.00 0.00 179.45 179.56 2gig h ALA 94 N 1.07 0.49 -0.64 3.86 0.00 -1.98 0.32 119.26 122.37 2gig h ALA 94 Ca 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2gig h ALA 94 Cb -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2gig h ALA 94 CO -0.03 0.16 0.33 0.00 0.00 0.00 0.00 179.25 179.72 2gig h ALA 95 N 0.93 1.38 -0.17 0.00 0.00 -1.89 0.13 119.26 119.64 2gig h ALA 95 Ca 0.11 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 2gig h ALA 95 Cb 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2gig h ALA 95 CO 0.00 0.50 -0.69 1.15 0.00 0.00 0.00 179.25 180.21 2gig h THR 96 N 0.89 1.31 -0.53 0.00 2.02 -0.71 -2.33 112.91 113.55 2gig h THR 96 Ca 0.22 -1.94 -0.11 0.00 0.77 0.00 0.00 66.41 65.35 2gig h THR 96 Cb 0.06 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2gig h THR 96 CO -0.03 0.61 -0.11 -0.08 0.37 0.00 0.00 175.52 176.28 2gig h GLU 97 N 0.49 0.99 -0.00 6.66 4.57 -0.46 -3.13 114.58 123.69 2gig h GLU 97 Ca -0.03 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 2gig h GLU 97 Cb 1.29 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 2gig h GLU 97 CO 0.14 1.04 -0.05 0.09 -1.18 0.00 0.00 179.01 179.04 2gig n ASN 98 N -4.15 0.09 -4.77 1.04 5.03 0.41 -4.73 115.26 108.19 2gig n ASN 98 Ca 0.02 0.09 -0.40 0.00 0.87 0.00 0.00 54.58 55.16 2gig n ASN 98 Cb 0.40 -0.32 0.02 0.00 -1.02 0.00 0.00 39.78 38.86 2gig n ASN 98 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 2gig s TRP 99 N -2.78 2.44 0.25 3.10 -0.00 -0.89 -4.86 118.94 116.20 2gig s TRP 99 Ca 0.21 1.27 -0.19 0.00 -0.00 0.00 0.00 56.10 57.38 2gig s TRP 99 Cb 0.19 -3.92 0.02 0.00 -0.00 0.00 0.00 33.47 29.77 2gig s TRP 99 CO 0.51 -2.95 0.62 -1.54 -0.00 0.00 0.00 176.95 173.59 2gig s SER 100 N -0.53 -0.26 0.53 5.86 1.04 -1.10 -4.95 113.70 114.29 2gig s SER 100 Ca 0.62 -0.59 0.24 0.00 0.48 0.00 0.00 55.95 56.70 2gig s SER 100 Cb -0.44 0.66 1.46 0.00 0.10 0.00 0.00 66.02 67.80 2gig s SER 100 CO 0.56 -1.22 2.12 -0.29 0.98 0.00 0.00 173.24 175.39 2gig h ILE 101 N 2.09 0.71 0.00 -1.02 6.09 -1.99 -0.64 117.51 122.75 2gig h ILE 101 Ca -0.24 -0.35 0.00 0.00 -1.37 0.00 0.00 64.86 62.91 2gig h ILE 101 Cb 1.26 1.21 0.00 0.00 0.47 0.00 0.00 36.82 39.76 2gig h ILE 101 CO 0.30 0.09 -0.57 -0.62 -3.07 0.00 0.00 178.15 174.27 2gig n GLU 102 N -3.92 0.10 -3.28 2.19 4.71 -1.26 -4.36 120.64 114.81 2gig n GLU 102 Ca -0.02 0.02 -0.25 0.00 -0.01 0.00 0.00 57.16 56.90 2gig n GLU 102 Cb 0.18 -1.56 -0.07 0.00 -1.01 0.00 0.00 31.44 28.98 2gig n GLU 102 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 2gig n ASN 103 N -1.70 1.66 -4.81 1.62 5.15 -0.26 -5.11 115.26 111.81 2gig n ASN 103 Ca 0.05 -3.01 -0.31 0.00 -0.60 0.00 0.00 54.58 50.71 2gig n ASN 103 Cb 0.37 -0.65 0.05 0.00 -0.53 0.00 0.00 39.78 39.02 2gig n ASN 103 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2gig s LEU 104 N -1.73 3.13 0.47 1.20 1.43 -1.15 -2.72 118.68 119.31 2gig s LEU 104 Ca 0.37 1.64 -0.22 0.00 -1.03 0.00 0.00 54.13 54.90 2gig s LEU 104 Cb 0.16 -4.50 -0.08 0.00 0.03 0.00 0.00 46.19 41.81 2gig s LEU 104 CO -0.07 -1.51 1.11 -0.36 0.23 0.00 0.00 176.35 175.75 2gig s PHE 105 N -3.02 2.93 0.40 0.29 2.99 -1.26 -5.00 117.98 115.31 2gig s PHE 105 Ca 0.58 1.57 0.04 0.00 0.00 0.00 0.00 56.93 59.12 2gig s PHE 105 Cb -0.14 -3.24 -0.05 0.00 0.00 0.00 0.00 43.02 39.59 2gig s PHE 105 CO 0.55 -1.20 0.05 -1.21 -0.00 0.00 0.00 175.22 173.41 2gig s GLU 106 N -2.92 1.88 0.37 0.44 2.02 -1.26 -4.84 118.70 114.39 2gig s GLU 106 Ca 0.66 -2.11 -0.26 0.00 0.02 0.00 0.00 54.97 53.27 2gig s GLU 106 Cb -0.23 -1.09 -0.12 0.00 0.10 0.00 0.00 34.13 32.78 2gig s GLU 106 CO 0.28 -0.26 1.14 -1.91 0.02 0.00 0.00 175.26 174.53 2gig n GLU 107 N -0.91 1.68 -4.11 1.61 2.13 -1.26 -4.83 120.64 114.95 2gig n GLU 107 Ca -0.07 0.60 -0.22 0.00 0.66 0.00 0.00 57.16 58.13 2gig n GLU 107 Cb 0.66 -2.14 -0.17 0.00 0.27 0.00 0.00 31.44 30.07 2gig n GLU 107 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2gig s LYS 108 N -1.90 0.96 0.25 5.31 2.20 -1.26 -5.06 119.74 120.24 2gig s LYS 108 Ca 0.59 -0.12 -0.09 0.00 -0.36 0.00 0.00 55.97 56.00 2gig s LYS 108 Cb -0.58 -1.00 0.40 0.00 -1.51 0.00 0.00 37.83 35.13 2gig s LYS 108 CO 0.59 -0.13 1.60 0.37 -0.36 0.00 0.00 175.35 177.42 2gig h GLN 109 N 7.47 0.02 -0.60 4.03 4.15 -2.02 -1.93 115.11 126.23 2gig h GLN 109 Ca -0.33 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.09 2gig h GLN 109 Cb 1.15 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.83 2gig h GLN 109 CO 0.43 0.01 0.00 0.27 -1.93 0.00 0.00 178.83 177.61 2gig n ASN 110 N -5.49 3.03 -4.75 -0.69 2.04 -1.26 -4.94 115.26 103.19 2gig n ASN 110 Ca 0.13 -2.27 -0.39 0.00 -0.44 0.00 0.00 54.58 51.61 2gig n ASN 110 Cb 0.46 -0.45 0.03 0.00 -2.53 0.00 0.00 39.78 37.29 2gig n ASN 110 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2gig n ASP 111 N 0.56 3.05 -0.04 0.53 10.43 -0.73 -4.91 116.55 125.44 2gig n ASP 111 Ca 0.15 1.06 -0.10 0.00 2.57 0.00 0.00 54.79 58.47 2gig n ASP 111 Cb 0.58 -1.59 -0.04 0.00 1.84 0.00 0.00 41.12 41.91 2gig n ASP 111 CO 0.00 0.00 0.00 0.74 -1.07 0.00 0.00 177.20 176.87 2gig h THR 112 N 1.91 1.07 -3.15 -3.53 2.02 -1.91 -3.45 112.91 105.87 2gig h THR 112 Ca -0.51 -0.15 -0.63 0.00 0.77 0.00 0.00 66.41 65.89 2gig h THR 112 Cb 1.28 0.82 -0.13 0.00 -1.74 0.00 0.00 68.15 68.38 2gig h THR 112 CO 0.59 0.06 -0.69 0.00 0.37 0.00 0.00 175.52 175.85 2gig s ALA 113 N -6.08 3.10 -0.09 6.16 0.00 -1.26 -4.91 121.76 118.67 2gig s ALA 113 Ca -0.13 -1.32 -0.16 0.00 0.00 0.00 0.00 51.96 50.35 2gig s ALA 113 Cb 0.08 -0.95 -0.28 0.00 0.00 0.00 0.00 23.12 21.98 2gig s ALA 113 CO 0.69 0.55 0.60 -0.44 0.00 0.00 0.00 175.76 177.17 2gig h ASP 114 N 3.08 0.42 -3.91 0.00 3.45 -1.45 -3.41 116.42 114.60 2gig h ASP 114 Ca -0.48 -0.87 -0.28 0.00 0.43 0.00 0.00 57.03 55.83 2gig h ASP 114 Cb 1.19 -0.14 -0.28 0.00 -0.56 0.00 0.00 39.33 39.55 2gig h ASP 114 CO 0.56 1.62 -0.74 -0.63 -1.57 0.00 0.00 179.24 178.48 2gig s ILE 115 N -2.48 0.25 -0.09 0.35 1.01 -0.52 -4.07 121.20 115.65 2gig s ILE 115 Ca -0.19 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.29 2gig s ILE 115 Cb 0.04 -0.23 -0.02 0.00 0.01 0.00 0.00 42.46 42.26 2gig s ILE 115 CO 0.78 0.04 -0.17 -0.76 0.00 0.00 0.00 174.94 174.83 2gig s LEU 116 N -0.17 2.55 -0.21 2.97 1.43 0.19 -0.28 118.68 125.16 2gig s LEU 116 Ca 0.00 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 2gig s LEU 116 Cb -0.02 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.70 2gig s LEU 116 CO -0.00 0.24 -0.15 -0.76 0.23 0.00 0.00 176.35 175.90 2gig s LEU 117 N -0.09 2.67 0.01 1.79 2.01 -0.39 -0.77 118.68 123.91 2gig s LEU 117 Ca -0.03 -0.89 0.05 0.00 0.01 0.00 0.00 54.13 53.27 2gig s LEU 117 Cb -0.14 -1.53 -0.02 0.00 0.01 0.00 0.00 46.19 44.51 2gig s LEU 117 CO 0.04 -0.07 -0.16 0.68 1.01 0.00 0.00 176.35 177.85 2gig s VAL 118 N 1.25 1.26 -0.25 -1.59 -7.23 0.05 -0.83 120.40 113.07 2gig s VAL 118 Ca 0.00 -0.81 -0.13 0.00 -1.81 0.00 0.00 61.98 59.24 2gig s VAL 118 Cb -0.16 -1.08 0.08 0.00 0.56 0.00 0.00 36.38 35.79 2gig s VAL 118 CO -0.09 0.26 0.59 -0.75 -0.31 0.00 0.00 175.10 174.80 2gig s LYS 119 N -0.63 0.59 -1.57 4.82 2.20 -0.90 -4.43 119.74 119.81 2gig s LYS 119 Ca 0.05 1.11 -0.12 0.00 -0.36 0.00 0.00 55.97 56.66 2gig s LYS 119 Cb -0.07 0.17 0.09 0.00 -1.51 0.00 0.00 37.83 36.52 2gig s LYS 119 CO 0.00 -0.16 0.73 -0.25 -0.36 0.00 0.00 175.35 175.31 2gig n ASP 120 N 4.46 -2.76 -1.11 1.43 8.00 -1.26 -1.55 116.55 123.76 2gig n ASP 120 Ca -0.20 -0.95 -0.13 0.00 0.71 0.00 0.00 54.79 54.22 2gig n ASP 120 Cb 0.57 -3.14 -0.05 0.00 -0.02 0.00 0.00 41.12 38.48 2gig n ASP 120 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gig n GLN 121 N -4.45 -0.96 -4.91 -1.24 1.13 -1.26 -5.02 117.38 100.67 2gig n GLN 121 Ca -0.05 0.92 -0.33 0.00 -1.94 0.00 0.00 57.00 55.61 2gig n GLN 121 Cb 0.56 -5.02 -0.13 0.00 0.11 0.00 0.00 30.24 25.75 2gig n GLN 121 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 2gig s PHE 122 N -2.53 2.69 0.01 1.08 5.36 -0.60 -4.92 117.98 119.07 2gig s PHE 122 Ca 0.00 -0.24 0.08 0.00 -0.96 0.00 0.00 56.93 55.81 2gig s PHE 122 Cb 0.00 -1.65 -0.03 0.00 -0.34 0.00 0.00 43.02 41.01 2gig s PHE 122 CO 0.00 0.12 -0.24 0.71 -1.46 0.00 0.00 175.22 174.35 2gig s TYR 123 N -0.59 2.39 -0.23 10.12 1.51 -0.20 -2.13 117.35 128.23 2gig s TYR 123 Ca 0.08 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 2gig s TYR 123 Cb -0.11 -1.46 0.05 0.00 -0.11 0.00 0.00 41.96 40.32 2gig s TYR 123 CO 0.01 0.08 -0.11 -2.00 -1.11 0.00 0.00 175.55 172.42 2gig s GLU 124 N -0.97 2.16 -0.47 -0.62 2.12 -0.01 -1.01 118.70 119.91 2gig s GLU 124 Ca 0.11 -1.08 -0.20 0.00 0.36 0.00 0.00 54.97 54.16 2gig s GLU 124 Cb -0.10 -2.66 0.04 0.00 0.26 0.00 0.00 34.13 31.67 2gig s GLU 124 CO 0.01 -0.49 0.66 -0.51 -0.54 0.00 0.00 175.26 174.40 2gig s LEU 125 N 1.26 4.62 -0.17 2.70 1.02 -0.04 -1.26 118.68 126.82 2gig s LEU 125 Ca -0.04 -0.54 -0.09 0.00 0.02 0.00 0.00 54.13 53.47 2gig s LEU 125 Cb -0.18 -2.64 -0.05 0.00 0.02 0.00 0.00 46.19 43.35 2gig s LEU 125 CO -0.07 -0.86 0.14 -0.22 0.02 0.00 0.00 176.35 175.36 2gig s LEU 126 N 2.86 4.27 -0.17 1.79 2.96 0.61 -1.05 118.68 129.96 2gig s LEU 126 Ca 0.21 0.32 0.01 0.00 -0.22 0.00 0.00 54.13 54.45 2gig s LEU 126 Cb -0.16 -2.09 0.03 0.00 0.50 0.00 0.00 46.19 44.47 2gig s LEU 126 CO 0.17 0.26 -0.13 -0.62 -1.32 0.00 0.00 176.35 174.70 2gig s ASP 127 N -0.13 2.95 0.08 3.68 -1.08 -0.58 -1.16 116.67 120.42 2gig s ASP 127 Ca 0.11 -0.63 -0.26 0.00 -0.52 0.00 0.00 52.55 51.24 2gig s ASP 127 Cb -0.11 -1.21 -0.06 0.00 -1.46 0.00 0.00 42.92 40.08 2gig s ASP 127 CO 0.00 -0.08 0.82 -0.69 0.52 0.00 0.00 175.17 175.74 2gig s VAL 128 N 1.45 4.63 -0.31 1.11 1.01 -1.26 -2.27 120.40 124.75 2gig s VAL 128 Ca 0.03 1.77 0.01 0.00 0.00 0.00 0.00 61.98 63.78 2gig s VAL 128 Cb -0.14 -4.18 0.07 0.00 0.00 0.00 0.00 36.38 32.14 2gig s VAL 128 CO -0.10 0.37 0.01 -0.54 0.00 0.00 0.00 175.10 174.84 2gig s LYS 129 N -0.15 2.11 0.32 2.72 -0.14 0.27 -4.92 119.74 119.95 2gig s LYS 129 Ca 0.41 -1.50 -0.21 0.00 -1.36 0.00 0.00 55.97 53.31 2gig s LYS 129 Cb -0.22 -3.16 -0.09 0.00 -1.68 0.00 0.00 37.83 32.68 2gig s LYS 129 CO 0.25 -0.74 0.84 0.95 -0.76 0.00 0.00 175.35 175.89 2gig s THR 130 N 1.12 4.46 -0.10 2.17 -4.23 -1.26 -0.84 115.64 116.96 2gig s THR 130 Ca -0.01 1.40 -0.04 0.00 -1.18 0.00 0.00 61.69 61.86 2gig s THR 130 Cb -0.20 -3.78 0.05 0.00 1.34 0.00 0.00 72.50 69.91 2gig s THR 130 CO -0.04 -0.03 0.20 -0.60 -0.54 0.00 0.00 174.62 173.62 2gig s ARG 131 N -2.51 0.11 -0.60 3.99 3.52 -0.22 -4.89 118.95 118.35 2gig s ARG 131 Ca 0.52 0.57 -0.27 0.00 -0.13 0.00 0.00 55.73 56.41 2gig s ARG 131 Cb -0.14 -0.16 0.03 0.00 -1.56 0.00 0.00 34.95 33.13 2gig s ARG 131 CO 0.19 -0.24 1.17 1.21 -0.81 0.00 0.00 175.30 176.82 2gig s ASN 132 N 1.88 6.38 0.00 -2.12 3.84 -1.26 -0.69 114.94 122.97 2gig s ASN 132 Ca -0.03 -0.06 0.13 0.00 0.21 0.00 0.00 52.86 53.12 2gig s ASN 132 Cb -0.12 -2.54 0.61 0.00 -0.55 0.00 0.00 41.25 38.65 2gig s ASN 132 CO -0.07 -1.51 1.42 2.30 -2.79 0.00 0.00 177.10 176.45 2gig n ILE 133 N 6.55 0.14 0.45 -5.21 -6.64 -0.51 -3.26 119.36 110.88 2gig n ILE 133 Ca 0.07 -0.17 0.12 0.00 -1.77 0.00 0.00 62.75 61.00 2gig n ILE 133 Cb 0.49 0.04 0.15 0.00 -1.44 0.00 0.00 39.64 38.88 2gig n ILE 133 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 2gig h SER 134 N 0.91 0.00 -1.74 7.28 0.02 -1.90 -3.46 113.55 114.65 2gig h SER 134 Ca 0.00 -0.14 -0.48 0.00 -0.84 0.00 0.00 61.79 60.33 2gig h SER 134 Cb 0.20 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 2gig h SER 134 CO 0.00 0.07 -0.40 -0.54 -1.14 0.00 0.00 176.83 174.82 2gig s LYS 135 N -3.21 2.76 0.54 3.45 3.01 -1.20 -5.08 119.74 120.01 2gig s LYS 135 Ca 0.05 -1.29 -0.21 0.00 -1.01 0.00 0.00 55.97 53.51 2gig s LYS 135 Cb 0.12 -2.54 -0.05 0.00 -1.01 0.00 0.00 37.83 34.36 2gig s LYS 135 CO 0.72 0.00 1.29 -1.54 0.51 0.00 0.00 175.35 176.33 2gig s SER 136 N -4.08 5.38 0.19 2.83 1.04 -1.26 -4.91 113.70 112.89 2gig s SER 136 Ca 0.44 2.60 -0.32 0.00 0.48 0.00 0.00 55.95 59.15 2gig s SER 136 Cb -0.06 -2.62 -0.12 0.00 0.10 0.00 0.00 66.02 63.32 2gig s SER 136 CO 0.28 -1.48 1.73 0.00 0.98 0.00 0.00 173.24 174.75 2gig n ALA 137 N -1.08 2.63 -3.53 5.32 0.00 -1.26 -4.99 120.51 117.61 2gig n ALA 137 Ca 0.11 0.39 -0.24 0.00 0.00 0.00 0.00 53.44 53.70 2gig n ALA 137 Cb 0.47 -2.52 -0.14 0.00 0.00 0.00 0.00 19.45 17.25 2gig n ALA 137 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2gig s PHE 138 N 1.36 0.04 0.04 0.00 5.99 -1.26 -5.12 117.98 119.01 2gig s PHE 138 Ca 0.76 -0.38 -0.33 0.00 0.00 0.00 0.00 56.93 56.99 2gig s PHE 138 Cb -0.52 -0.66 -0.11 0.00 0.00 0.00 0.00 43.02 41.73 2gig s PHE 138 CO 0.33 -0.71 1.83 0.00 -0.00 0.00 0.00 175.22 176.68 2gig n ALA 139 N 5.28 1.44 -1.87 11.12 0.00 -1.26 -4.97 120.51 130.26 2gig n ALA 139 Ca -0.06 0.31 -0.31 0.00 0.00 0.00 0.00 53.44 53.39 2gig n ALA 139 Cb 0.46 -2.53 0.02 0.00 0.00 0.00 0.00 19.45 17.40 2gig n ALA 139 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2gig s PRO 140 N 3.21 3.41 0.32 0.00 0.04 -1.26 -4.69 135.00 136.03 2gig s PRO 140 Ca 0.87 0.68 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 2gig s PRO 140 Cb -0.59 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 31.78 2gig s PRO 140 CO 0.44 -0.69 1.47 -0.80 0.04 0.00 0.00 177.00 177.46 2gig s ASN 141 N -4.22 6.49 -0.09 6.66 0.01 -1.26 -3.34 114.94 119.20 2gig s ASN 141 Ca 0.56 2.88 -0.11 0.00 -0.71 0.00 0.00 52.86 55.47 2gig s ASN 141 Cb -0.11 -2.65 -0.04 0.00 0.41 0.00 0.00 41.25 38.86 2gig s ASN 141 CO 0.53 -0.79 -0.23 -0.38 -1.51 0.00 0.00 177.10 174.73 2gig n ILE 142 N 1.40 1.37 -3.54 0.60 2.08 0.36 -4.96 119.36 116.68 2gig n ILE 142 Ca 0.04 0.20 -0.17 0.00 0.56 0.00 0.00 62.75 63.38 2gig n ILE 142 Cb 0.39 -2.05 -0.06 0.00 -0.75 0.00 0.00 39.64 37.17 2gig n ILE 142 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 2gig s ILE 143 N -2.56 0.00 0.22 1.39 2.07 -1.24 -4.98 121.20 116.10 2gig s ILE 143 Ca -0.19 0.00 -0.32 0.00 -1.41 0.00 0.00 60.65 58.73 2gig s ILE 143 Cb 0.03 -1.00 -0.12 0.00 0.13 0.00 0.00 42.46 41.50 2gig s ILE 143 CO 0.28 0.00 1.69 -0.24 -1.91 0.00 0.00 174.94 174.76 2gig n SER 144 N 1.03 3.93 0.21 4.50 2.88 -1.26 -0.72 113.62 124.18 2gig n SER 144 Ca -0.17 1.08 0.04 0.00 -1.33 0.00 0.00 58.87 58.49 2gig n SER 144 Cb 0.57 -1.57 0.44 0.00 -0.75 0.00 0.00 64.21 62.90 2gig n SER 144 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2gig h ALA 145 N 6.34 1.51 -0.09 -1.46 0.00 -0.70 -1.48 119.26 123.39 2gig h ALA 145 Ca -0.44 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.04 2gig h ALA 145 Cb 1.21 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.96 2gig h ALA 145 CO 0.92 0.35 -0.66 -0.92 0.00 0.00 0.00 179.25 178.94 2gig h TYR 146 N 0.00 0.83 -0.86 0.00 3.20 -1.90 -0.90 116.97 117.35 2gig h TYR 146 Ca -0.00 -0.39 -0.02 0.00 3.14 0.00 0.00 58.73 61.45 2gig h TYR 146 Cb 0.50 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 2gig h TYR 146 CO 0.00 1.20 0.45 -0.22 -1.64 0.00 0.00 178.16 177.95 2gig h LYS 147 N 0.23 1.21 -0.31 1.82 3.64 -1.87 -1.09 116.57 120.20 2gig h LYS 147 Ca -0.06 -0.16 -0.10 0.00 -1.27 0.00 0.00 60.65 59.07 2gig h LYS 147 Cb 1.32 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 2gig h LYS 147 CO 0.13 0.91 -0.21 1.25 -2.27 0.00 0.00 179.45 179.26 2gig h LEU 148 N 1.21 0.58 -0.37 5.20 5.85 -1.22 -0.27 115.31 126.30 2gig h LEU 148 Ca 0.30 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 2gig h LEU 148 Cb 0.07 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2gig h LEU 148 CO -0.04 0.80 -0.04 0.00 -0.34 0.00 0.00 178.44 178.81 2gig h ALA 149 N 1.25 0.50 -0.51 1.25 0.00 -0.59 -0.79 119.26 120.37 2gig h ALA 149 Ca 0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2gig h ALA 149 Cb 0.65 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2gig h ALA 149 CO 0.05 0.31 0.13 1.96 0.00 0.00 0.00 179.25 181.70 2gig h GLN 150 N 0.48 0.76 -0.43 0.00 4.20 -0.99 -1.27 115.11 117.87 2gig h GLN 150 Ca 0.10 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2gig h GLN 150 Cb 0.53 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 2gig h GLN 150 CO 0.03 0.68 0.21 1.15 -0.67 0.00 0.00 178.83 180.23 2gig h THR 151 N 0.74 1.18 -0.65 -0.54 2.02 -0.65 -1.27 112.91 113.73 2gig h THR 151 Ca 0.17 -0.49 -0.09 0.00 0.77 0.00 0.00 66.41 66.77 2gig h THR 151 Cb 0.26 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 2gig h THR 151 CO -0.00 0.19 0.07 0.00 0.37 0.00 0.00 175.52 176.15 2gig h ALA 153 N 1.04 1.05 -0.11 0.00 0.00 -1.02 -1.72 119.26 118.51 2gig h ALA 153 Ca 0.19 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2gig h ALA 153 Cb 0.49 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2gig h ALA 153 CO 0.02 0.59 -0.57 0.87 0.00 0.00 0.00 179.25 180.16 2gig h LYS 154 N 0.76 0.34 -0.53 0.00 1.57 -0.94 0.07 116.57 117.84 2gig h LYS 154 Ca 0.14 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 2gig h LYS 154 Cb 0.49 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2gig h LYS 154 CO 0.02 0.81 0.12 0.52 -0.57 0.00 0.00 179.45 180.36 2gig h MET 155 N 0.26 0.85 0.26 3.15 2.86 -0.92 -1.16 114.93 120.22 2gig h MET 155 Ca 0.00 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 2gig h MET 155 Cb 1.07 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.63 2gig h MET 155 CO 0.09 0.81 -0.12 0.82 1.06 0.00 0.00 176.91 179.57 2gig h ILE 156 N 0.74 0.79 -0.73 -1.22 1.08 -1.15 0.30 117.51 117.32 2gig h ILE 156 Ca 0.16 -0.59 0.06 0.00 -0.39 0.00 0.00 64.86 64.11 2gig h ILE 156 Cb 0.35 1.11 -0.05 0.00 -3.07 0.00 0.00 36.82 35.16 2gig h ILE 156 CO 0.00 0.12 0.48 0.44 -0.69 0.00 0.00 178.15 178.51 2gig h ASP 157 N -0.66 0.69 -0.26 1.72 3.45 -0.96 -2.59 116.42 117.81 2gig h ASP 157 Ca -0.04 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.43 2gig h ASP 157 Cb 0.46 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 2gig h ASP 157 CO 0.06 0.45 0.00 0.59 -1.57 0.00 0.00 179.24 178.77 2gig n ASN 158 N -4.48 3.08 -3.81 6.45 3.02 -0.44 -4.98 115.26 114.10 2gig n ASN 158 Ca 0.11 -1.91 -0.26 0.00 -0.03 0.00 0.00 54.58 52.49 2gig n ASN 158 Cb 0.21 -0.16 0.03 0.00 -0.61 0.00 0.00 39.78 39.25 2gig n ASN 158 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2gig n LYS 159 N 1.23 -5.12 -3.40 3.52 2.85 0.80 -4.92 118.16 113.12 2gig n LYS 159 Ca 0.15 0.60 -0.40 0.00 -1.05 0.00 0.00 58.31 57.62 2gig n LYS 159 Cb 0.53 -5.29 -0.03 0.00 -0.65 0.00 0.00 35.03 29.60 2gig n LYS 159 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2gig n GLU 160 N -4.47 3.30 0.00 -1.58 1.02 0.27 -4.81 120.64 114.36 2gig n GLU 160 Ca -0.14 -4.51 0.09 0.00 -0.02 0.00 0.00 57.16 52.59 2gig n GLU 160 Cb 0.61 -2.46 0.04 0.00 -0.02 0.00 0.00 31.44 29.60 2gig n GLU 160 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2gig n PHE 161 N 2.10 0.00 -2.52 -0.32 3.72 -1.26 -4.50 117.46 114.68 2gig n PHE 161 Ca 0.24 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.54 2gig n PHE 161 Cb 0.37 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.95 2gig n PHE 161 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2gig n ASP 162 N 0.47 2.88 -0.04 4.37 8.00 -1.26 -4.77 116.55 126.19 2gig n ASP 162 Ca 0.09 -2.71 -0.05 0.00 0.71 0.00 0.00 54.79 52.84 2gig n ASP 162 Cb 0.44 -0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 2gig n ASP 162 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2gig n LEU 163 N -0.63 0.60 -3.56 0.64 7.94 -1.26 -4.96 117.00 115.78 2gig n LEU 163 Ca 0.21 -0.01 -0.11 0.00 -1.11 0.00 0.00 56.01 54.99 2gig n LEU 163 Cb 0.86 0.09 -0.04 0.00 0.53 0.00 0.00 43.42 44.87 2gig n LEU 163 CO 0.20 0.31 0.25 0.72 -1.11 0.00 0.00 177.39 177.76 2gig s PHE 164 N -2.21 -0.33 0.15 1.96 -0.12 -1.26 -1.03 117.98 115.14 2gig s PHE 164 Ca -0.06 0.08 0.07 0.00 -0.05 0.00 0.00 56.93 56.97 2gig s PHE 164 Cb 0.03 0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 2gig s PHE 164 CO 0.33 -0.75 -0.16 -0.51 -0.05 0.00 0.00 175.22 174.08 2gig s ASP 165 N -2.72 2.39 -0.25 1.98 1.01 -0.18 -4.97 116.67 113.94 2gig s ASP 165 Ca 0.02 -0.86 0.02 0.00 0.71 0.00 0.00 52.55 52.44 2gig s ASP 165 Cb 0.01 -0.12 0.06 0.00 1.01 0.00 0.00 42.92 43.88 2gig s ASP 165 CO -0.12 -0.10 -0.09 -0.63 0.21 0.00 0.00 175.17 174.44 2gig s ILE 166 N -2.20 1.97 0.26 0.77 1.01 -1.26 -0.86 121.20 120.90 2gig s ILE 166 Ca 0.14 -1.50 0.12 0.00 0.00 0.00 0.00 60.65 59.41 2gig s ILE 166 Cb -0.05 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 2gig s ILE 166 CO 0.05 -0.04 -0.21 0.20 0.00 0.00 0.00 174.94 174.95 2gig s ASN 167 N 1.19 3.52 -0.02 3.58 0.01 -0.22 -1.35 114.94 121.65 2gig s ASN 167 Ca -0.08 -0.99 0.04 0.00 -0.71 0.00 0.00 52.86 51.11 2gig s ASN 167 Cb -0.19 -0.28 -0.01 0.00 0.41 0.00 0.00 41.25 41.18 2gig s ASN 167 CO -0.06 0.05 -0.13 -0.31 -1.51 0.00 0.00 177.10 175.15 2gig s TYR 168 N -2.34 1.20 -0.24 2.20 2.02 -0.04 -1.53 117.35 118.62 2gig s TYR 168 Ca 0.28 -0.27 0.02 0.00 -0.37 0.00 0.00 57.07 56.73 2gig s TYR 168 Cb -0.06 -0.80 0.05 0.00 -0.40 0.00 0.00 41.96 40.76 2gig s TYR 168 CO 0.14 -0.07 -0.13 -1.17 -1.57 0.00 0.00 175.55 172.75 2gig s LEU 169 N -0.10 3.08 -0.04 -1.29 2.96 -0.96 -1.55 118.68 120.79 2gig s LEU 169 Ca 0.01 -1.21 -0.23 0.00 -0.22 0.00 0.00 54.13 52.49 2gig s LEU 169 Cb -0.07 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 2gig s LEU 169 CO 0.00 -0.15 0.67 -0.70 -1.32 0.00 0.00 176.35 174.85 2gig s GLU 170 N 1.16 4.41 -0.29 1.98 2.12 0.53 -0.56 118.70 128.06 2gig s GLU 170 Ca -0.06 0.84 0.03 0.00 0.36 0.00 0.00 54.97 56.15 2gig s GLU 170 Cb -0.18 -3.41 0.07 0.00 0.26 0.00 0.00 34.13 30.87 2gig s GLU 170 CO -0.07 0.17 -0.04 0.08 -0.54 0.00 0.00 175.26 174.86 2gig s VAL 171 N 0.44 2.26 0.07 3.70 1.01 -0.02 -1.78 120.40 126.08 2gig s VAL 171 Ca 0.35 -1.89 -0.22 0.00 0.00 0.00 0.00 61.98 60.23 2gig s VAL 171 Cb -0.18 -2.46 -0.07 0.00 0.00 0.00 0.00 36.38 33.68 2gig s VAL 171 CO 0.18 -0.25 0.64 -1.81 0.00 0.00 0.00 175.10 173.87 2gig s ASP 172 N 1.05 7.13 0.17 3.32 1.01 -0.00 -1.06 116.67 128.29 2gig s ASP 172 Ca -0.01 1.35 -0.05 0.00 0.71 0.00 0.00 52.55 54.55 2gig s ASP 172 Cb -0.20 -2.40 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 2gig s ASP 172 CO -0.06 0.19 0.19 -1.66 0.21 0.00 0.00 175.17 174.05 2gig s TRP 173 N -0.80 0.76 0.02 4.23 1.48 0.13 -1.12 118.94 123.65 2gig s TRP 173 Ca 0.32 -1.08 -0.12 0.00 -1.06 0.00 0.00 56.10 54.16 2gig s TRP 173 Cb -0.20 -0.30 0.01 0.00 -1.16 0.00 0.00 33.47 31.82 2gig s TRP 173 CO 0.21 -0.67 0.24 -1.83 -4.06 0.00 0.00 176.95 170.84 2gig s GLU 174 N -4.05 0.70 0.17 3.25 -1.05 -0.58 -1.42 118.70 115.71 2gig s GLU 174 Ca 0.26 -0.47 -0.30 0.00 -0.15 0.00 0.00 54.97 54.31 2gig s GLU 174 Cb 0.05 0.30 -0.08 0.00 -0.44 0.00 0.00 34.13 33.96 2gig s GLU 174 CO 0.05 -0.20 1.21 -1.17 0.95 0.00 0.00 175.26 176.10 2gig s LEU 175 N -1.83 4.44 -0.37 1.83 2.96 -1.26 -0.87 118.68 123.58 2gig s LEU 175 Ca -0.08 2.23 0.02 0.00 -0.22 0.00 0.00 54.13 56.08 2gig s LEU 175 Cb -0.03 -3.60 0.15 0.00 0.50 0.00 0.00 46.19 43.21 2gig s LEU 175 CO -0.01 -0.41 0.31 0.21 -1.32 0.00 0.00 176.35 175.13 2gig s ASN 176 N 0.28 1.89 1.23 3.68 2.47 0.60 -4.91 114.94 120.18 2gig s ASN 176 Ca 0.54 -2.06 0.00 0.00 0.42 0.00 0.00 52.86 51.76 2gig s ASN 176 Cb -0.33 0.05 0.00 0.00 -1.45 0.00 0.00 41.25 39.53 2gig s ASN 176 CO 0.36 -0.26 0.00 0.61 -3.72 0.00 0.00 177.10 174.09 2gig n GLY 177 N 3.91 2.10 0.73 1.21 0.00 -1.26 -2.51 105.19 109.38 2gig n GLY 177 Ca 0.14 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.87 2gig n GLY 177 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2gig n GLU 178 N 12.46 1.97 -4.51 1.61 0.00 -1.26 -4.94 120.64 125.96 2gig n GLU 178 Ca 0.00 -1.45 -0.24 0.00 0.00 0.00 0.00 57.16 55.47 2gig n GLU 178 Cb 0.00 -1.44 -0.11 0.00 0.00 0.00 0.00 31.44 29.89 2gig n GLU 178 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2gig s ASP 179 N -1.67 3.15 -0.13 -1.84 1.11 -1.04 -1.26 116.67 114.99 2gig s ASP 179 Ca 0.34 -1.31 -0.02 0.00 0.18 0.00 0.00 52.55 51.75 2gig s ASP 179 Cb 0.20 -0.25 -0.02 0.00 1.07 0.00 0.00 42.92 43.92 2gig s ASP 179 CO 0.29 -0.44 -0.08 -0.76 1.18 0.00 0.00 175.17 175.37 2gig s LEU 180 N -3.57 3.04 -0.04 1.23 1.02 0.14 -0.29 118.68 120.21 2gig s LEU 180 Ca 0.34 -0.19 0.05 0.00 0.02 0.00 0.00 54.13 54.35 2gig s LEU 180 Cb 0.07 -1.71 -0.01 0.00 0.02 0.00 0.00 46.19 44.57 2gig s LEU 180 CO 0.16 0.20 -0.20 0.54 0.02 0.00 0.00 176.35 177.06 2gig s VAL 181 N 0.18 1.64 0.01 -1.59 0.11 -0.05 -1.25 120.40 119.46 2gig s VAL 181 Ca -0.04 -0.84 -0.30 0.00 -2.93 0.00 0.00 61.98 57.86 2gig s VAL 181 Cb -0.14 -1.39 -0.05 0.00 -1.53 0.00 0.00 36.38 33.26 2gig s VAL 181 CO 0.04 0.46 1.22 0.00 -3.33 0.00 0.00 175.10 173.49 2gig n VAL 183 N 4.24 0.04 -3.69 0.00 0.24 -0.27 -0.70 118.33 118.19 2gig n VAL 183 Ca 0.10 -0.21 -0.04 0.00 -2.04 0.00 0.00 64.34 62.15 2gig n VAL 183 Cb 0.46 0.21 -0.01 0.00 -1.47 0.00 0.00 33.84 33.03 2gig n VAL 183 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2gig s SER 184 N -3.10 -0.19 0.14 -1.34 1.04 -1.22 -4.93 113.70 104.10 2gig s SER 184 Ca -0.03 -0.29 -0.09 0.00 0.48 0.00 0.00 55.95 56.01 2gig s SER 184 Cb 0.05 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 2gig s SER 184 CO 0.37 -0.76 0.25 0.42 0.98 0.00 0.00 173.24 174.50 2gig s THR 185 N -3.12 0.09 0.05 2.02 -4.23 -1.26 -0.82 115.64 108.37 2gig s THR 185 Ca 0.11 -1.30 -0.12 0.00 -1.18 0.00 0.00 61.69 59.20 2gig s THR 185 Cb -0.00 -1.66 0.01 0.00 1.34 0.00 0.00 72.50 72.19 2gig s THR 185 CO -0.01 -0.41 0.26 -0.94 -0.54 0.00 0.00 174.62 172.98 2gig s SER 186 N -2.93 -0.06 -0.02 3.99 1.04 -0.74 -4.97 113.70 110.02 2gig s SER 186 Ca 0.13 -0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.27 2gig s SER 186 Cb 0.04 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2gig s SER 186 CO -0.04 -0.62 -0.05 0.12 0.98 0.00 0.00 173.24 173.62 2gig s PHE 187 N -2.77 0.59 0.05 5.02 5.36 -1.26 -0.34 117.98 124.63 2gig s PHE 187 Ca -0.03 -0.12 -0.10 0.00 -0.96 0.00 0.00 56.93 55.71 2gig s PHE 187 Cb -0.00 -0.44 0.01 0.00 -0.34 0.00 0.00 43.02 42.24 2gig s PHE 187 CO -0.05 -0.06 0.22 0.00 -1.46 0.00 0.00 175.22 173.86 2gig s ALA 188 N 0.21 -0.41 -0.16 11.12 0.00 -0.59 -4.97 121.76 126.96 2gig s ALA 188 Ca -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 51.65 2gig s ALA 188 Cb -0.06 0.31 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 2gig s ALA 188 CO -0.00 -0.39 -0.10 -1.21 0.00 0.00 0.00 175.76 174.05 2gig s GLU 189 N -2.72 3.37 0.21 0.00 2.02 -1.26 -0.86 118.70 119.45 2gig s GLU 189 Ca -0.04 -0.67 -0.10 0.00 0.02 0.00 0.00 54.97 54.19 2gig s GLU 189 Cb -0.00 -2.76 0.24 0.00 0.10 0.00 0.00 34.13 31.71 2gig s GLU 189 CO -0.05 0.05 1.80 1.25 0.02 0.00 0.00 175.26 178.33 2gig h LEU 190 N 7.25 0.50 0.00 1.80 5.85 -1.59 -2.34 115.31 126.78 2gig h LEU 190 Ca -0.33 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2gig h LEU 190 Cb 1.19 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2gig h LEU 190 CO 0.58 0.32 0.00 0.49 -0.34 0.00 0.00 178.44 179.49 2gig n PHE 191 N -4.82 0.00 0.74 1.25 0.99 -1.26 -1.67 117.46 112.69 2gig n PHE 191 Ca 0.08 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.61 2gig n PHE 191 Cb 0.18 0.00 -0.00 0.00 -1.00 0.00 0.00 39.48 38.66 2gig n PHE 191 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 2gig n LYS 192 N -0.76 1.63 -2.49 -1.08 5.02 -0.88 -4.89 118.16 114.71 2gig n LYS 192 Ca 0.09 -0.84 -0.25 0.00 -2.02 0.00 0.00 58.31 55.29 2gig n LYS 192 Cb 0.04 -1.29 0.03 0.00 -0.02 0.00 0.00 35.03 33.79 2gig n LYS 192 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2gig s SER 193 N -1.94 5.49 -0.45 4.39 1.04 -0.67 -1.22 113.70 120.33 2gig s SER 193 Ca 0.14 0.54 -0.25 0.00 0.48 0.00 0.00 55.95 56.86 2gig s SER 193 Cb 0.13 -1.52 0.03 0.00 0.10 0.00 0.00 66.02 64.76 2gig s SER 193 CO 0.42 -1.09 0.92 -0.70 0.98 0.00 0.00 173.24 173.77 2gig s GLU 194 N -4.94 3.55 0.30 4.02 2.56 -1.26 -4.58 118.70 118.35 2gig s GLU 194 Ca 0.54 0.18 0.02 0.00 0.00 0.00 0.00 54.97 55.71 2gig s GLU 194 Cb -0.10 -3.92 0.57 0.00 2.00 0.00 0.00 34.13 32.68 2gig s GLU 194 CO 0.43 -1.20 1.86 -1.00 -0.56 0.00 0.00 175.26 174.79 2gig h PRO 195 N 9.04 0.95 0.00 4.30 0.13 -1.91 -1.65 132.00 142.86 2gig h PRO 195 Ca -0.24 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2gig h PRO 195 Cb 1.08 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2gig h PRO 195 CO 1.02 0.63 0.00 -1.13 -0.23 0.00 0.00 178.00 178.29 2gig n SER 196 N -4.57 0.00 -0.65 1.44 3.41 -1.26 -2.03 113.62 109.95 2gig n SER 196 Ca 0.17 0.25 0.07 0.00 -0.26 0.00 0.00 58.87 59.11 2gig n SER 196 Cb 0.33 -0.36 0.10 0.00 -0.26 0.00 0.00 64.21 64.02 2gig n SER 196 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2gig n GLU 197 N -1.36 1.58 -2.18 4.33 1.02 -0.62 -4.99 120.64 118.42 2gig n GLU 197 Ca 0.04 -1.63 -0.42 0.00 -0.02 0.00 0.00 57.16 55.13 2gig n GLU 197 Cb 0.10 -1.30 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 2gig n GLU 197 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2gig s LEU 198 N -1.13 4.33 -0.26 -4.62 1.02 -0.86 -4.98 118.68 112.18 2gig s LEU 198 Ca 0.21 2.19 -0.28 0.00 0.02 0.00 0.00 54.13 56.27 2gig s LEU 198 Cb 0.13 -3.56 0.01 0.00 0.02 0.00 0.00 46.19 42.78 2gig s LEU 198 CO 0.19 -0.73 0.99 -0.47 0.02 0.00 0.00 176.35 176.36 2gig s TYR 199 N 2.22 3.29 -0.33 0.29 5.04 -1.26 -5.00 117.35 121.59 2gig s TYR 199 Ca 0.65 1.31 -0.11 0.00 -2.44 0.00 0.00 57.07 56.48 2gig s TYR 199 Cb -0.33 -3.31 -0.00 0.00 0.35 0.00 0.00 41.96 38.66 2gig s TYR 199 CO 0.28 -0.53 0.18 0.42 -1.34 0.00 0.00 175.55 174.56 2gig s ILE 200 N 3.21 4.73 -0.71 3.14 1.01 -1.26 -1.15 121.20 130.18 2gig s ILE 200 Ca 0.42 -0.49 -0.17 0.00 0.00 0.00 0.00 60.65 60.40 2gig s ILE 200 Cb -0.14 -3.48 0.14 0.00 0.01 0.00 0.00 42.46 38.99 2gig s ILE 200 CO 0.09 -0.03 0.77 0.21 0.00 0.00 0.00 174.94 175.98 2gig s ASN 201 N 1.62 6.42 0.20 3.58 3.84 0.34 -4.94 114.94 126.00 2gig s ASN 201 Ca 0.04 -1.91 -0.11 0.00 0.21 0.00 0.00 52.86 51.09 2gig s ASN 201 Cb -0.18 -2.28 0.23 0.00 -0.55 0.00 0.00 41.25 38.47 2gig s ASN 201 CO 0.07 -0.94 1.76 -0.50 -2.79 0.00 0.00 177.10 174.70 2gig h TRP 202 N 8.72 0.43 -0.47 0.43 4.06 -1.88 -2.50 115.95 124.74 2gig h TRP 202 Ca -0.11 0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.81 2gig h TRP 202 Cb 1.07 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 29.10 2gig h TRP 202 CO 0.94 0.15 0.06 0.00 -3.56 0.00 0.00 178.44 176.02 2gig h ALA 203 N 1.37 1.22 -0.37 1.49 0.00 -1.97 -1.37 119.26 119.63 2gig h ALA 203 Ca 0.28 -0.22 -0.73 0.00 0.00 0.00 0.00 54.91 54.24 2gig h ALA 203 Cb 0.30 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 2gig h ALA 203 CO -0.26 0.52 2.71 0.00 0.00 0.00 0.00 179.25 182.23 2gig n ALA 204 N -2.47 5.58 -2.91 0.00 0.00 -0.97 -4.52 120.51 115.22 2gig n ALA 204 Ca 0.03 -4.05 -0.19 0.00 0.00 0.00 0.00 53.44 49.23 2gig n ALA 204 Cb 0.25 -3.29 0.00 0.00 0.00 0.00 0.00 19.45 16.41 2gig n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gig n ALA 205 N 5.01 -0.92 -3.11 0.00 0.00 -1.25 -1.28 120.51 118.96 2gig n ALA 205 Ca 0.48 0.14 -0.21 0.00 0.00 0.00 0.00 53.44 53.86 2gig n ALA 205 Cb 0.37 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.28 2gig n ALA 205 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2gig n MET 206 N -3.43 -3.35 -3.12 0.00 0.00 -0.52 -4.71 117.12 101.99 2gig n MET 206 Ca -0.10 0.56 -0.37 0.00 0.00 0.00 0.00 57.70 57.79 2gig n MET 206 Cb 0.59 -5.26 -0.06 0.00 0.00 0.00 0.00 33.22 28.49 2gig n MET 206 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2gig s GLN 207 N -5.75 4.26 0.27 0.03 -1.52 -0.41 0.00 119.66 116.54 2gig s GLN 207 Ca 0.30 0.86 -0.30 0.00 -1.95 0.00 0.00 55.36 54.27 2gig s GLN 207 Cb -0.15 -2.96 -0.09 0.00 -0.22 0.00 0.00 33.01 29.59 2gig s GLN 207 CO 0.37 0.44 1.08 0.42 -0.25 0.00 0.00 175.29 177.35 2gig s ILE 208 N -1.44 3.58 -0.04 1.08 1.01 0.10 -0.51 121.20 124.98 2gig s ILE 208 Ca 0.40 1.57 0.02 0.00 0.00 0.00 0.00 60.65 62.64 2gig s ILE 208 Cb -0.17 -4.00 0.01 0.00 0.01 0.00 0.00 42.46 38.31 2gig s ILE 208 CO 0.21 0.37 -0.08 -1.10 0.00 0.00 0.00 174.94 174.34 2gig s GLN 209 N -1.32 0.98 -0.00 2.79 -0.21 -0.30 -0.49 119.66 121.11 2gig s GLN 209 Ca 0.44 -0.25 -0.29 0.00 0.02 0.00 0.00 55.36 55.29 2gig s GLN 209 Cb -0.31 -0.91 0.10 0.00 1.00 0.00 0.00 33.01 32.89 2gig s GLN 209 CO 0.40 0.04 1.00 -0.59 -2.12 0.00 0.00 175.29 174.01 2gig s PHE 210 N 0.47 -0.23 -0.22 0.91 -0.12 -1.21 -4.33 117.98 113.25 2gig s PHE 210 Ca -0.07 0.07 -0.13 0.00 -0.05 0.00 0.00 56.93 56.75 2gig s PHE 210 Cb -0.11 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 2gig s PHE 210 CO 0.01 -0.53 0.27 -1.01 -0.05 0.00 0.00 175.22 173.91 2gig s HIS 211 N -2.97 3.34 0.24 3.49 3.76 -1.26 -4.12 115.29 117.76 2gig s HIS 211 Ca 0.08 0.40 -0.08 0.00 -0.15 0.00 0.00 55.06 55.31 2gig s HIS 211 Cb -0.01 -2.39 0.41 0.00 1.11 0.00 0.00 32.58 31.70 2gig s HIS 211 CO -0.05 0.02 1.63 0.28 -0.85 0.00 0.00 174.74 175.77 2gig h VAL 212 N 5.04 0.33 -0.90 -0.90 2.07 -1.96 0.65 116.25 120.58 2gig h VAL 212 Ca -0.37 -0.03 0.25 0.00 0.82 0.00 0.00 66.70 67.37 2gig h VAL 212 Cb 1.17 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 2gig h VAL 212 CO 0.68 0.01 0.63 -0.09 0.02 0.00 0.00 177.57 178.83 2gig h ARG 213 N 0.08 0.11 -0.01 1.57 2.43 -1.93 -2.11 114.38 114.52 2gig h ARG 213 Ca 0.40 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2gig h ARG 213 Cb 0.69 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2gig h ARG 213 CO -0.68 0.07 -0.42 -0.25 -1.51 0.00 0.00 179.97 177.18 2gig n ASP 214 N -4.34 1.79 -4.69 -3.80 10.43 0.18 -5.00 116.55 111.12 2gig n ASP 214 Ca 0.19 -1.40 -0.42 0.00 2.57 0.00 0.00 54.79 55.73 2gig n ASP 214 Cb 0.90 0.49 -0.03 0.00 1.84 0.00 0.00 41.12 44.32 2gig n ASP 214 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 2gig s LEU 215 N -2.27 4.39 0.53 0.64 2.96 -0.79 -4.95 118.68 119.19 2gig s LEU 215 Ca 0.15 2.73 -0.22 0.00 -0.22 0.00 0.00 54.13 56.58 2gig s LEU 215 Cb 0.15 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.22 2gig s LEU 215 CO 0.50 -0.99 1.28 1.51 -1.32 0.00 0.00 176.35 177.33 2gig s ASP 216 N 2.65 5.49 -0.24 3.68 1.47 -1.26 -4.96 116.67 123.50 2gig s ASP 216 Ca 0.80 2.59 0.18 0.00 1.18 0.00 0.00 52.55 57.30 2gig s ASP 216 Cb -0.45 -2.62 0.48 0.00 -0.34 0.00 0.00 42.92 39.99 2gig s ASP 216 CO 0.36 -1.41 1.14 0.00 0.68 0.00 0.00 175.17 175.94 2gig n GLN 217 N -0.97 2.07 -0.63 2.11 1.13 -1.26 -3.83 117.38 116.00 2gig n GLN 217 Ca 0.10 -3.53 0.01 0.00 -1.94 0.00 0.00 57.00 51.64 2gig n GLN 217 Cb 0.46 -1.63 0.22 0.00 0.11 0.00 0.00 30.24 29.40 2gig n GLN 217 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gig n GLY 218 N -0.55 4.57 3.70 1.08 0.00 -1.02 -4.84 105.19 108.14 2gig n GLY 218 Ca 0.18 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 2gig n GLY 218 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gig s PHE 219 N -3.07 2.44 -2.52 1.61 5.36 -0.36 -4.91 117.98 116.54 2gig s PHE 219 Ca 0.43 0.18 0.23 0.00 -0.96 0.00 0.00 56.93 56.81 2gig s PHE 219 Cb 0.38 -4.11 0.10 0.00 -0.34 0.00 0.00 43.02 39.05 2gig s PHE 219 CO 0.04 -4.44 1.17 0.09 -1.46 0.00 0.00 175.22 170.61 2gig n ASN 220 N 5.14 2.55 -2.52 6.13 4.13 -1.26 -4.98 115.26 124.45 2gig n ASN 220 Ca 0.17 -1.77 -0.05 0.00 1.68 0.00 0.00 54.58 54.61 2gig n ASN 220 Cb 0.38 0.20 0.03 0.00 -1.54 0.00 0.00 39.78 38.85 2gig n ASN 220 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2gig n GLY 221 N 1.35 0.68 3.94 7.41 0.00 -1.26 -5.10 105.19 112.20 2gig n GLY 221 Ca 0.12 -1.96 -0.25 0.00 0.00 0.00 0.00 46.02 43.92 2gig n GLY 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gig s THR 222 N -0.48 2.29 0.21 2.61 -4.23 -1.26 -4.90 115.64 109.89 2gig s THR 222 Ca 0.14 -0.32 -0.07 0.00 -1.18 0.00 0.00 61.69 60.26 2gig s THR 222 Cb -0.01 -2.97 0.10 0.00 1.34 0.00 0.00 72.50 70.96 2gig s THR 222 CO 0.09 0.00 1.70 -0.09 -0.54 0.00 0.00 174.62 175.78 2gig h ARG 223 N -0.58 1.01 -0.81 3.99 9.65 -1.96 -0.30 114.38 125.38 2gig h ARG 223 Ca -0.44 -0.28 -0.03 0.00 -1.10 0.00 0.00 59.98 58.14 2gig h ARG 223 Cb 1.31 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.74 2gig h ARG 223 CO 0.57 0.96 0.41 1.49 2.80 0.00 0.00 179.97 186.19 2gig h GLU 224 N 0.94 1.16 -0.18 0.20 4.81 -1.94 -0.92 114.58 118.65 2gig h GLU 224 Ca 0.18 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.14 2gig h GLU 224 Cb 0.47 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2gig h GLU 224 CO 0.02 0.88 -0.37 0.93 -0.73 0.00 0.00 179.01 179.73 2gig h GLU 225 N 1.15 0.40 -0.03 1.92 5.08 -1.78 -2.10 114.58 119.23 2gig h GLU 225 Ca 0.28 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2gig h GLU 225 Cb 0.09 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2gig h GLU 225 CO -0.04 0.72 0.01 2.35 -1.00 0.00 0.00 179.01 181.05 2gig h TRP 226 N 0.34 0.05 -0.77 4.33 7.01 -0.32 -1.00 115.95 125.59 2gig h TRP 226 Ca 0.04 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.06 2gig h TRP 226 Cb 0.81 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.81 2gig h TRP 226 CO 0.02 0.17 0.50 0.00 -2.79 0.00 0.00 178.44 176.34 2gig h ALA 227 N 0.87 1.01 -0.42 2.65 0.00 -1.05 0.10 119.26 122.42 2gig h ALA 227 Ca 0.01 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2gig h ALA 227 Cb 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2gig h ALA 227 CO -0.00 0.32 -0.18 0.87 0.00 0.00 0.00 179.25 180.26 2gig h LYS 228 N 0.98 0.86 -0.56 0.00 1.57 -1.27 -1.72 116.57 116.43 2gig h LYS 228 Ca 0.30 -0.36 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 2gig h LYS 228 Cb -0.02 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2gig h LYS 228 CO -0.10 1.01 0.06 1.03 -0.57 0.00 0.00 179.45 180.87 2gig h SER 229 N 0.68 0.93 -0.34 0.86 0.87 -0.84 -2.20 113.55 113.51 2gig h SER 229 Ca 0.10 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.36 2gig h SER 229 Cb 0.73 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 2gig h SER 229 CO 0.06 0.98 0.15 0.22 -0.53 0.00 0.00 176.83 177.70 2gig h TYR 230 N 0.85 0.50 -0.72 2.24 3.20 -0.70 -1.76 116.97 120.58 2gig h TYR 230 Ca 0.17 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2gig h TYR 230 Cb 0.47 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 2gig h TYR 230 CO 0.03 0.45 0.46 -0.07 -1.64 0.00 0.00 178.16 177.39 2gig h LEU 231 N 0.41 0.84 -0.50 2.82 3.38 -1.16 0.25 115.31 121.34 2gig h LEU 231 Ca 0.12 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2gig h LEU 231 Cb 0.15 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2gig h LEU 231 CO -0.01 0.62 0.24 0.50 0.09 0.00 0.00 178.44 179.88 2gig h LYS 232 N 0.98 0.72 -0.38 1.13 3.64 -1.07 -0.96 116.57 120.64 2gig h LYS 232 Ca 0.26 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 2gig h LYS 232 Cb -0.09 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 2gig h LYS 232 CO -0.05 0.60 0.06 1.25 -2.27 0.00 0.00 179.45 179.04 2gig h HIS 233 N 0.67 0.66 0.05 1.91 2.76 -0.43 -1.77 115.15 119.00 2gig h HIS 233 Ca 0.17 -0.09 0.01 0.00 -2.20 0.00 0.00 60.37 58.26 2gig h HIS 233 Cb 0.11 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 2gig h HIS 233 CO -0.01 0.67 -0.07 0.35 -1.30 0.00 0.00 177.93 177.57 2gig h PHE 234 N 0.47 -0.17 -0.35 5.26 3.04 -0.33 0.08 116.94 124.94 2gig h PHE 234 Ca 0.12 0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.09 2gig h PHE 234 Cb 0.36 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.91 2gig h PHE 234 CO 0.02 -0.11 0.19 0.28 -2.02 0.00 0.00 178.31 176.68 2gig h VAL 235 N -0.15 1.02 -0.58 1.41 2.07 -1.14 0.22 116.25 119.10 2gig h VAL 235 Ca 0.01 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2gig h VAL 235 Cb 0.15 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2gig h VAL 235 CO -0.03 0.07 0.34 0.74 0.02 0.00 0.00 177.57 178.71 2gig h THR 236 N 0.39 1.18 -0.23 2.57 2.02 -1.13 -1.00 112.91 116.72 2gig h THR 236 Ca 0.14 -0.41 -0.09 0.00 0.77 0.00 0.00 66.41 66.82 2gig h THR 236 Cb 0.02 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2gig h THR 236 CO -0.08 0.18 -0.26 1.56 0.37 0.00 0.00 175.52 177.29 2gig h GLN 237 N 0.78 0.43 -0.44 6.66 1.08 -0.62 -1.35 115.11 121.65 2gig h GLN 237 Ca 0.21 -0.16 -0.14 0.00 -1.45 0.00 0.00 58.65 57.10 2gig h GLN 237 Cb -0.00 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 2gig h GLN 237 CO -0.04 0.66 -0.28 0.00 -0.95 0.00 0.00 178.83 178.22 2gig h ALA 238 N 1.34 0.66 -0.39 3.87 0.00 -0.58 -0.95 119.26 123.21 2gig h ALA 238 Ca 0.06 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2gig h ALA 238 Cb 0.66 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2gig h ALA 238 CO 0.05 0.67 0.14 0.93 0.00 0.00 0.00 179.25 181.04 2gig h GLU 239 N 0.81 0.60 -0.48 0.00 5.08 -0.92 -1.44 114.58 118.23 2gig h GLU 239 Ca 0.09 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 2gig h GLU 239 Cb 0.86 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2gig h GLU 239 CO 0.08 0.59 -0.03 1.96 -1.00 0.00 0.00 179.01 180.61 2gig h GLN 240 N 0.49 0.82 -0.51 2.33 1.08 -1.15 -2.69 115.11 115.48 2gig h GLN 240 Ca 0.13 -0.24 -0.09 0.00 -1.45 0.00 0.00 58.65 57.00 2gig h GLN 240 Cb 0.23 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 2gig h GLN 240 CO -0.01 0.84 -0.05 -0.09 -0.95 0.00 0.00 178.83 178.57 2gig h ARG 241 N 0.75 0.90 -1.00 1.46 9.65 -0.94 -0.29 114.38 124.92 2gig h ARG 241 Ca 0.14 -0.29 0.05 0.00 -1.10 0.00 0.00 59.98 58.78 2gig h ARG 241 Cb 0.50 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.94 2gig h ARG 241 CO 0.03 0.93 0.65 0.00 2.80 0.00 0.00 179.97 184.38 2gig h ALA 242 N 1.11 1.37 0.13 2.80 0.00 -0.94 -1.28 119.26 122.44 2gig h ALA 242 Ca 0.14 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.75 2gig h ALA 242 Cb 0.56 -0.34 0.03 0.00 0.00 0.00 0.00 17.79 18.04 2gig h ALA 242 CO 0.03 0.52 -1.12 0.82 0.00 0.00 0.00 179.25 179.50 2gig h ILE 243 N 1.23 1.34 0.00 0.00 1.08 -1.31 -3.30 117.51 116.55 2gig h ILE 243 Ca 0.41 -2.45 -0.03 0.00 -0.39 0.00 0.00 64.86 62.39 2gig h ILE 243 Cb 0.05 2.81 -0.00 0.00 -3.07 0.00 0.00 36.82 36.61 2gig h ILE 243 CO -0.14 0.73 -0.16 0.77 -0.69 0.00 0.00 178.15 178.67 2gig h SER 244 N 0.10 0.00 -0.19 1.72 4.64 -0.81 -2.59 113.55 116.42 2gig h SER 244 Ca -0.18 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 2gig h SER 244 Cb 1.83 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.91 2gig h SER 244 CO 0.21 0.16 0.09 0.24 -0.87 0.00 0.00 176.83 176.67 2gig h MET 245 N 0.00 0.31 -0.23 4.77 2.86 -1.32 -2.05 114.93 119.27 2gig h MET 245 Ca -0.00 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 2gig h MET 245 Cb 0.42 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2gig h MET 245 CO 0.02 0.26 -0.04 0.82 1.06 0.00 0.00 176.91 179.03 2gig h ILE 246 N 0.31 1.28 -0.47 -1.22 1.08 -1.62 0.20 117.51 117.07 2gig h ILE 246 Ca 0.08 -1.01 -0.01 0.00 -0.39 0.00 0.00 64.86 63.52 2gig h ILE 246 Cb 0.06 1.48 -0.02 0.00 -3.07 0.00 0.00 36.82 35.27 2gig h ILE 246 CO -0.01 0.31 0.23 -0.78 -0.69 0.00 0.00 178.15 177.21 2gig h ASP 247 N 0.17 0.58 0.00 1.72 3.58 -1.48 0.14 116.42 121.13 2gig h ASP 247 Ca 0.06 -0.05 -0.35 0.00 0.42 0.00 0.00 57.03 57.12 2gig h ASP 247 Cb 0.49 -0.15 -0.07 0.00 1.72 0.00 0.00 39.33 41.32 2gig h ASP 247 CO 0.02 0.50 -2.30 1.17 -2.88 0.00 0.00 179.24 175.74 2gig n LYS 248 N -4.39 0.89 0.00 0.28 4.81 -0.83 -4.33 118.16 114.59 2gig n LYS 248 Ca 0.04 -0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.53 2gig n LYS 248 Cb 0.12 -1.49 -0.04 0.00 0.02 0.00 0.00 35.03 33.64 2gig n LYS 248 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2gig n PHE 249 N -2.73 0.00 0.00 5.64 3.72 0.69 -4.59 117.46 120.20 2gig n PHE 249 Ca -0.31 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.05 2gig n PHE 249 Cb 1.11 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.63 2gig n PHE 249 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2gig n VAL 250 N -0.82 1.07 -0.18 -4.37 0.31 -0.73 -4.71 118.33 108.90 2gig n VAL 250 Ca 0.03 0.22 -0.03 0.00 -0.01 0.00 0.00 64.34 64.56 2gig n VAL 250 Cb 0.22 -1.74 0.03 0.00 -0.91 0.00 0.00 33.84 31.44 2gig n VAL 250 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2gig h LYS 251 N -0.26 -0.08 0.00 5.55 3.64 -0.95 -1.86 116.57 122.61 2gig h LYS 251 Ca -0.05 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2gig h LYS 251 Cb 0.50 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2gig h LYS 251 CO -0.03 -0.05 -0.02 -1.35 -2.27 0.00 0.00 179.45 175.72 2gig h PRO 252 N -0.09 0.00 -0.00 1.90 0.11 -1.81 -3.16 132.00 128.96 2gig h PRO 252 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 2gig h PRO 252 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2gig h PRO 252 CO -0.60 0.02 -0.50 1.19 -0.21 0.00 0.00 178.00 177.90 2gig n PHE 253 N -3.57 0.00 0.31 0.65 3.01 -0.77 -4.56 117.46 112.54 2gig n PHE 253 Ca -0.03 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.61 2gig n PHE 253 Cb 0.12 0.00 0.99 0.00 -0.01 0.00 0.00 39.48 40.58 2gig n PHE 253 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 2gig h LYS 254 N 0.42 0.00 0.00 -1.08 3.64 -1.34 -1.99 116.57 116.22 2gig h LYS 254 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2gig h LYS 254 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2gig h LYS 254 CO 0.00 0.02 0.00 1.57 -2.27 0.00 0.00 179.45 178.77 2gig h LYS 255 N 0.00 0.00 -0.01 1.90 2.10 -1.80 -2.71 116.57 116.05 2gig h LYS 255 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2gig h LYS 255 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 2gig h LYS 255 CO 0.00 0.00 -0.18 0.66 -2.00 0.00 0.00 179.45 177.93 2gig n TYR 256 N -2.74 0.00 -0.42 0.07 4.01 -0.75 -5.26 117.16 112.07 2gig n TYR 256 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2gig n TYR 256 Cb 0.28 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 2gig n TYR 256 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84