#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gbr s ASN 2 N 0.00 4.69 0.22 7.83 6.03 -1.26 -4.92 114.94 127.53 3gbr s ASN 2 Ca 0.00 0.82 -0.08 0.00 -1.03 0.00 0.00 52.86 52.57 3gbr s ASN 2 Cb 0.00 -1.37 0.16 0.00 -3.03 0.00 0.00 41.25 37.01 3gbr s ASN 2 CO 0.00 -1.79 1.79 0.40 -2.03 0.00 0.00 177.10 175.48 3gbr h ILE 3 N -0.95 1.26 -0.13 0.54 5.03 -2.01 -2.59 117.51 118.66 3gbr h ILE 3 Ca -0.46 -0.78 -0.11 0.00 -0.12 0.00 0.00 64.86 63.40 3gbr h ILE 3 Cb 1.32 0.26 -0.01 0.00 -3.03 0.00 0.00 36.82 35.36 3gbr h ILE 3 CO 0.65 0.32 -0.39 0.78 -0.68 0.00 0.00 178.15 178.83 3gbr h ASN 4 N 1.17 0.30 -0.16 1.72 4.21 -2.00 -1.49 115.58 119.33 3gbr h ASN 4 Ca 0.27 -0.12 -0.15 0.00 1.21 0.00 0.00 56.30 57.51 3gbr h ASN 4 Cb 0.17 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.28 3gbr h ASN 4 CO -0.03 0.67 -0.44 -0.33 -1.29 0.00 0.00 177.43 176.02 3gbr h GLU 5 N 0.25 0.71 -0.28 0.81 4.39 -1.92 -2.56 114.58 115.97 3gbr h GLU 5 Ca 0.02 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.34 3gbr h GLU 5 Cb 0.81 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 3gbr h GLU 5 CO 0.06 1.00 0.17 0.82 -1.16 0.00 0.00 179.01 179.91 3gbr h ILE 6 N 0.57 1.09 -0.18 3.13 1.08 -1.03 -1.38 117.51 120.78 3gbr h ILE 6 Ca 0.04 -0.18 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 3gbr h ILE 6 Cb 0.98 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 35.44 3gbr h ILE 6 CO 0.09 0.08 0.09 0.25 -0.69 0.00 0.00 178.15 177.97 3gbr h LEU 7 N 0.36 0.25 -0.69 1.44 5.85 -1.32 -0.36 115.31 120.83 3gbr h LEU 7 Ca 0.10 -0.13 0.13 0.00 0.84 0.00 0.00 57.88 58.82 3gbr h LEU 7 Cb -0.01 -0.06 -0.13 0.00 0.37 0.00 0.00 40.66 40.82 3gbr h LEU 7 CO -0.02 0.31 -0.27 0.11 -0.34 0.00 0.00 178.44 178.23 3gbr h LYS 8 N 0.16 -0.07 -0.27 1.25 1.79 -1.37 0.30 116.57 118.37 3gbr h LYS 8 Ca 0.06 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.58 3gbr h LYS 8 Cb 0.13 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.76 3gbr h LYS 8 CO -0.01 -0.05 0.02 -0.22 -1.08 0.00 0.00 179.45 178.12 3gbr h LYS 9 N -0.07 0.11 -0.25 3.15 3.64 -0.65 -1.40 116.57 121.09 3gbr h LYS 9 Ca 0.30 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.55 3gbr h LYS 9 Cb 0.55 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3gbr h LYS 9 CO -0.74 0.07 -0.37 -0.07 -2.27 0.00 0.00 179.45 176.07 3gbr h LEU 10 N 0.11 0.59 -1.26 5.20 3.38 -0.19 -1.57 115.31 121.57 3gbr h LEU 10 Ca 0.13 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 3gbr h LEU 10 Cb 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3gbr h LEU 10 CO -0.20 0.91 -0.35 0.40 0.09 0.00 0.00 178.44 179.28 3gbr h ILE 11 N 0.47 1.12 -0.03 1.22 2.04 -0.24 -2.03 117.51 120.07 3gbr h ILE 11 Ca 0.05 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.64 3gbr h ILE 11 Cb 0.86 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 3gbr h ILE 11 CO 0.07 0.35 0.00 0.59 0.00 0.00 0.00 178.15 179.16 3gbr n ASN 12 N -3.93 0.66 -1.58 1.72 3.02 -0.55 -4.93 115.26 109.68 3gbr n ASN 12 Ca -0.02 -1.32 -0.11 0.00 -0.03 0.00 0.00 54.58 53.10 3gbr n ASN 12 Cb 0.41 -0.01 0.02 0.00 -0.61 0.00 0.00 39.78 39.58 3gbr n ASN 12 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3gbr n LYS 13 N -0.44 -2.27 -3.30 3.52 5.02 -0.76 -5.01 118.16 114.91 3gbr n LYS 13 Ca 0.20 0.46 -0.38 0.00 -2.02 0.00 0.00 58.31 56.56 3gbr n LYS 13 Cb 0.20 -4.40 -0.06 0.00 -0.02 0.00 0.00 35.03 30.74 3gbr n LYS 13 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3gbr s SER 14 N -2.82 6.59 0.40 4.39 0.01 -0.63 -5.02 113.70 116.62 3gbr s SER 14 Ca 0.13 0.71 -0.26 0.00 1.31 0.00 0.00 55.95 57.84 3gbr s SER 14 Cb -0.06 -2.28 -0.09 0.00 0.21 0.00 0.00 66.02 63.80 3gbr s SER 14 CO 0.17 -0.08 1.28 -1.81 0.41 0.00 0.00 173.24 173.20 3gbr s ASP 15 N 0.90 6.38 0.37 2.44 1.01 -1.26 -4.40 116.67 122.10 3gbr s ASP 15 Ca 0.24 2.60 -0.15 0.00 0.71 0.00 0.00 52.55 55.96 3gbr s ASP 15 Cb -0.15 -2.63 -0.08 0.00 1.01 0.00 0.00 42.92 41.06 3gbr s ASP 15 CO 0.10 -0.80 0.78 -0.76 0.21 0.00 0.00 175.17 174.70 3gbr s LEU 16 N -2.39 3.96 0.73 1.23 1.43 -1.26 -5.09 118.68 117.29 3gbr s LEU 16 Ca 0.56 1.30 -0.11 0.00 -1.03 0.00 0.00 54.13 54.85 3gbr s LEU 16 Cb -0.37 -4.14 0.03 0.00 0.03 0.00 0.00 46.19 41.74 3gbr s LEU 16 CO 0.47 -0.29 1.08 -1.61 0.23 0.00 0.00 176.35 176.23 3gbr s GLU 17 N -3.29 2.69 0.11 1.70 0.41 -1.26 -4.42 118.70 114.65 3gbr s GLU 17 Ca 0.55 0.72 -0.23 0.00 -0.41 0.00 0.00 54.97 55.59 3gbr s GLU 17 Cb -0.10 -1.98 -0.07 0.00 -1.78 0.00 0.00 34.13 30.19 3gbr s GLU 17 CO 0.21 -1.21 1.68 0.82 -0.49 0.00 0.00 175.26 176.28 3gbr h ILE 18 N -0.79 0.68 -0.29 -1.63 2.04 -1.98 0.20 117.51 115.74 3gbr h ILE 18 Ca -0.45 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.36 3gbr h ILE 18 Cb 1.24 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 3gbr h ILE 18 CO 0.60 0.00 -0.02 -0.55 0.00 0.00 0.00 178.15 178.18 3gbr h ASN 19 N -0.21 0.41 -0.16 1.72 -0.00 -1.94 0.03 115.58 115.43 3gbr h ASN 19 Ca 0.05 -0.07 -0.04 0.00 -0.00 0.00 0.00 56.30 56.23 3gbr h ASN 19 Cb 0.27 -0.11 -0.00 0.00 -0.00 0.00 0.00 38.32 38.48 3gbr h ASN 19 CO -0.13 0.49 -0.06 -0.33 -0.00 0.00 0.00 177.43 177.40 3gbr h GLU 20 N 0.42 0.33 -0.89 4.14 5.08 -1.75 -1.75 114.58 120.17 3gbr h GLU 20 Ca 0.09 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3gbr h GLU 20 Cb 0.31 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 3gbr h GLU 20 CO 0.01 0.62 0.49 0.00 -1.00 0.00 0.00 179.01 179.14 3gbr h ALA 21 N 0.70 1.20 -0.42 3.43 0.00 -0.43 0.23 119.26 123.96 3gbr h ALA 21 Ca 0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3gbr h ALA 21 Cb 0.51 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3gbr h ALA 21 CO 0.02 0.65 0.05 1.49 0.00 0.00 0.00 179.25 181.46 3gbr h GLU 22 N 1.24 0.70 -0.09 0.00 4.81 -0.94 0.20 114.58 120.51 3gbr h GLU 22 Ca 0.31 -0.20 -0.12 0.00 -0.13 0.00 0.00 59.36 59.22 3gbr h GLU 22 Cb 0.02 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3gbr h GLU 22 CO -0.05 0.75 -0.50 0.93 -0.73 0.00 0.00 179.01 179.42 3gbr h GLU 23 N 0.55 0.23 -0.26 1.92 4.39 -1.16 -1.60 114.58 118.66 3gbr h GLU 23 Ca 0.12 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 3gbr h GLU 23 Cb 0.40 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3gbr h GLU 23 CO 0.01 0.68 0.04 1.25 -1.16 0.00 0.00 179.01 179.83 3gbr h LEU 24 N 0.19 0.42 -0.75 1.33 5.85 -0.67 -2.68 115.31 119.00 3gbr h LEU 24 Ca 0.01 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.48 3gbr h LEU 24 Cb 0.95 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 3gbr h LEU 24 CO 0.08 0.58 0.49 0.00 -0.34 0.00 0.00 178.44 179.25 3gbr h ALA 25 N 0.86 0.96 -0.11 1.25 0.00 -0.43 -2.17 119.26 119.62 3gbr h ALA 25 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gbr h ALA 25 Cb 0.34 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3gbr h ALA 25 CO 0.01 0.35 0.06 0.87 0.00 0.00 0.00 179.25 180.53 3gbr h LYS 26 N 1.00 0.12 -0.37 0.00 1.57 -1.27 0.21 116.57 117.83 3gbr h LYS 26 Ca 0.28 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.09 3gbr h LYS 26 Cb -0.09 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 3gbr h LYS 26 CO -0.07 0.08 0.15 0.00 -0.57 0.00 0.00 179.45 179.04 3gbr h ALA 27 N 1.05 0.45 0.25 3.86 0.00 -1.38 0.17 119.26 123.65 3gbr h ALA 27 Ca 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3gbr h ALA 27 Cb -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gbr h ALA 27 CO -0.02 -0.23 -0.14 0.82 0.00 0.00 0.00 179.25 179.69 3gbr h ILE 28 N 0.32 0.72 0.00 0.00 2.04 -1.02 -1.81 117.51 117.76 3gbr h ILE 28 Ca 0.17 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.94 3gbr h ILE 28 Cb 0.12 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3gbr h ILE 28 CO -0.15 0.00 -0.39 0.40 0.00 0.00 0.00 178.15 178.01 3gbr h ILE 29 N -0.36 1.17 0.00 -0.67 2.04 -0.34 -2.11 117.51 117.24 3gbr h ILE 29 Ca -0.03 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.45 3gbr h ILE 29 Cb 0.29 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 3gbr h ILE 29 CO 0.04 0.38 0.00 0.54 0.00 0.00 0.00 178.15 179.11 3gbr n ARG 30 N -3.91 0.16 -1.02 2.37 1.74 0.57 -4.47 116.66 112.10 3gbr n ARG 30 Ca -0.01 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 3gbr n ARG 30 Cb 0.44 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 3gbr n ARG 30 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gbr n GLY 31 N 0.78 0.50 0.11 -0.13 0.00 -0.79 -4.95 105.19 100.70 3gbr n GLY 31 Ca 0.08 -0.91 0.13 0.00 0.00 0.00 0.00 46.02 45.33 3gbr n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gbr n GLU 32 N -2.49 0.48 -4.93 1.61 1.02 -0.69 -4.82 120.64 110.82 3gbr n GLU 32 Ca 0.00 -0.22 -0.33 0.00 -0.02 0.00 0.00 57.16 56.60 3gbr n GLU 32 Cb 0.08 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 29.86 3gbr n GLU 32 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3gbr s VAL 33 N -2.67 2.74 0.54 2.62 1.01 -1.25 -5.00 120.40 118.38 3gbr s VAL 33 Ca 0.22 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 3gbr s VAL 33 Cb 0.19 -2.11 -0.07 0.00 0.00 0.00 0.00 36.38 34.39 3gbr s VAL 33 CO 0.55 0.54 1.00 -2.65 0.00 0.00 0.00 175.10 174.53 3gbr n PRO 34 N 3.38 1.10 0.12 2.72 -0.02 -1.26 -4.73 135.00 136.31 3gbr n PRO 34 Ca -0.18 0.41 0.04 0.00 -2.02 0.00 0.00 63.50 61.75 3gbr n PRO 34 Cb 0.53 -2.15 0.45 0.00 -0.02 0.00 0.00 33.50 32.30 3gbr n PRO 34 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3gbr h GLU 35 N 0.89 0.27 -0.65 -0.52 5.08 -1.98 0.62 114.58 118.28 3gbr h GLU 35 Ca -0.47 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 57.78 3gbr h GLU 35 Cb 1.35 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 3gbr h GLU 35 CO 0.53 0.30 0.14 0.82 -1.00 0.00 0.00 179.01 179.80 3gbr h ILE 36 N 0.26 1.26 0.07 3.13 2.04 -1.99 -0.23 117.51 122.04 3gbr h ILE 36 Ca 0.06 -0.96 -0.24 0.00 1.00 0.00 0.00 64.86 64.72 3gbr h ILE 36 Cb 0.20 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3gbr h ILE 36 CO 0.00 0.36 -1.13 -0.07 0.00 0.00 0.00 178.15 177.32 3gbr h LEU 37 N 0.99 0.22 -0.48 1.44 3.38 -1.57 -2.07 115.31 117.22 3gbr h LEU 37 Ca 0.21 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3gbr h LEU 37 Cb 0.37 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3gbr h LEU 37 CO 0.00 1.18 0.12 0.58 0.09 0.00 0.00 178.44 180.42 3gbr h VAL 38 N 0.04 1.24 -0.22 1.22 2.07 -0.87 -1.67 116.25 118.06 3gbr h VAL 38 Ca -0.07 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.67 3gbr h VAL 38 Cb 1.87 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 3gbr h VAL 38 CO 0.17 0.29 -0.04 -1.28 0.02 0.00 0.00 177.57 176.73 3gbr h SER 39 N 0.65 -0.17 -0.19 0.57 0.87 -1.01 -1.74 113.55 112.52 3gbr h SER 39 Ca 0.15 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.79 3gbr h SER 39 Cb 0.31 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 3gbr h SER 39 CO 0.00 -0.06 0.07 0.00 -0.53 0.00 0.00 176.83 176.31 3gbr h ALA 40 N 1.21 0.21 -0.30 6.23 0.00 -1.29 -1.82 119.26 123.50 3gbr h ALA 40 Ca 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3gbr h ALA 40 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3gbr h ALA 40 CO -0.21 -0.36 0.16 0.82 0.00 0.00 0.00 179.25 179.66 3gbr h ILE 41 N 0.16 1.14 -0.67 0.00 1.08 -1.15 0.11 117.51 118.18 3gbr h ILE 41 Ca 0.08 -0.39 -0.04 0.00 -0.39 0.00 0.00 64.86 64.13 3gbr h ILE 41 Cb 0.05 0.85 -0.03 0.00 -3.07 0.00 0.00 36.82 34.61 3gbr h ILE 41 CO -0.08 0.14 0.27 -0.07 -0.69 0.00 0.00 178.15 177.73 3gbr h LEU 42 N 0.36 0.90 -0.30 1.44 3.38 -1.26 -0.30 115.31 119.53 3gbr h LEU 42 Ca 0.11 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 3gbr h LEU 42 Cb 0.09 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3gbr h LEU 42 CO -0.02 0.79 -0.50 0.58 0.09 0.00 0.00 178.44 179.39 3gbr h VAL 43 N 0.96 1.28 -0.46 1.22 2.07 -1.06 -2.27 116.25 117.98 3gbr h VAL 43 Ca 0.23 -1.68 -0.07 0.00 0.82 0.00 0.00 66.70 65.99 3gbr h VAL 43 Cb 0.17 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3gbr h VAL 43 CO -0.02 0.55 -0.00 0.00 0.02 0.00 0.00 177.57 178.12 3gbr h ALA 44 N 0.69 0.63 -0.48 1.67 0.00 -0.49 0.25 119.26 121.53 3gbr h ALA 44 Ca 0.02 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.73 3gbr h ALA 44 Cb 1.11 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 3gbr h ALA 44 CO 0.11 0.43 0.12 -0.07 0.00 0.00 0.00 179.25 179.84 3gbr h LEU 45 N 0.67 0.07 -0.51 0.00 4.07 -1.09 0.16 115.31 118.67 3gbr h LEU 45 Ca 0.13 0.08 -0.15 0.00 0.08 0.00 0.00 57.88 58.01 3gbr h LEU 45 Cb 0.51 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 3gbr h LEU 45 CO 0.02 0.07 -0.45 -0.09 -1.08 0.00 0.00 178.44 176.91 3gbr h ARG 46 N 0.27 0.71 -0.20 1.13 2.43 -0.98 -0.24 114.38 117.51 3gbr h ARG 46 Ca 0.24 -0.39 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 3gbr h ARG 46 Cb 0.29 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3gbr h ARG 46 CO -0.29 1.01 0.08 0.52 -1.51 0.00 0.00 179.97 179.79 3gbr h MET 47 N 0.57 0.30 -0.31 0.20 2.86 -0.13 -2.70 114.93 115.72 3gbr h MET 47 Ca 0.04 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 3gbr h MET 47 Cb 1.00 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.59 3gbr h MET 47 CO 0.09 0.36 -0.04 -0.22 1.06 0.00 0.00 176.91 178.17 3gbr h LYS 48 N 0.18 0.48 -0.74 1.72 3.64 -0.71 -3.49 116.57 117.66 3gbr h LYS 48 Ca 0.07 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3gbr h LYS 48 Cb 0.17 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3gbr h LYS 48 CO -0.01 0.54 0.00 0.41 -2.27 0.00 0.00 179.45 178.12 3gbr n GLY 49 N -0.84 -1.04 3.77 5.01 0.00 -0.12 -5.01 105.19 106.96 3gbr n GLY 49 Ca 0.01 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 3gbr n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gbr s GLU 50 N -2.24 4.34 0.53 1.61 1.03 -1.10 -4.94 118.70 117.92 3gbr s GLU 50 Ca 0.00 1.91 0.03 0.00 0.03 0.00 0.00 54.97 56.94 3gbr s GLU 50 Cb 0.00 -2.94 0.03 0.00 -0.80 0.00 0.00 34.13 30.42 3gbr s GLU 50 CO 0.00 -0.10 0.73 -1.54 -1.33 0.00 0.00 175.26 173.03 3gbr s SER 51 N -0.90 5.34 0.14 0.83 1.04 -1.26 -4.95 113.70 113.93 3gbr s SER 51 Ca 0.51 -0.13 -0.18 0.00 0.48 0.00 0.00 55.95 56.63 3gbr s SER 51 Cb -0.33 -0.78 0.03 0.00 0.10 0.00 0.00 66.02 65.04 3gbr s SER 51 CO 0.42 -1.08 1.71 0.50 0.98 0.00 0.00 173.24 175.78 3gbr h LYS 52 N 0.19 0.09 -0.69 4.02 3.64 -1.96 -1.34 116.57 120.52 3gbr h LYS 52 Ca -0.41 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3gbr h LYS 52 Cb 1.29 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.06 3gbr h LYS 52 CO 0.50 0.06 0.43 -0.91 -2.27 0.00 0.00 179.45 177.26 3gbr h ASN 53 N 0.09 0.82 -0.14 4.20 2.35 -1.95 0.24 115.58 121.18 3gbr h ASN 53 Ca 0.14 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3gbr h ASN 53 Cb 0.18 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 3gbr h ASN 53 CO -0.23 0.62 -0.07 -0.33 -1.65 0.00 0.00 177.43 175.77 3gbr h GLU 54 N 0.95 0.29 -0.49 0.81 5.08 -1.71 -1.12 114.58 118.39 3gbr h GLU 54 Ca 0.25 -0.13 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 3gbr h GLU 54 Cb -0.06 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 3gbr h GLU 54 CO -0.05 0.62 0.20 0.82 -1.00 0.00 0.00 179.01 179.60 3gbr h ILE 55 N -0.05 0.88 -0.40 3.13 2.04 -0.74 0.10 117.51 122.46 3gbr h ILE 55 Ca 0.03 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 3gbr h ILE 55 Cb 0.53 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3gbr h ILE 55 CO 0.02 0.07 0.04 0.58 0.00 0.00 0.00 178.15 178.86 3gbr h VAL 56 N 0.39 1.25 -0.34 1.67 2.07 -0.94 -1.41 116.25 118.95 3gbr h VAL 56 Ca 0.23 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 3gbr h VAL 56 Cb 0.21 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3gbr h VAL 56 CO -0.21 0.32 0.05 1.23 0.02 0.00 0.00 177.57 178.98 3gbr h GLY 57 N 0.53 0.61 0.97 2.17 0.00 -0.94 -0.71 103.07 105.70 3gbr h GLY 57 Ca 0.12 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3gbr h GLY 57 CO 0.01 0.38 0.24 0.74 0.00 0.00 0.00 176.54 177.92 3gbr h PHE 58 N 0.39 0.64 -0.31 5.60 -1.00 -0.96 -0.99 116.94 120.30 3gbr h PHE 58 Ca 0.10 -0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.86 3gbr h PHE 58 Cb 0.36 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.71 3gbr h PHE 58 CO 0.03 0.49 0.18 0.00 -1.61 0.00 0.00 178.31 177.39 3gbr h ALA 59 N 1.09 0.40 -0.68 2.45 0.00 -1.17 -1.68 119.26 119.67 3gbr h ALA 59 Ca 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3gbr h ALA 59 Cb 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3gbr h ALA 59 CO -0.02 -0.09 0.39 0.00 0.00 0.00 0.00 179.25 179.52 3gbr h ARG 60 N 0.40 0.93 -0.45 0.00 3.08 -1.02 -0.78 114.38 116.54 3gbr h ARG 60 Ca 0.11 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3gbr h ARG 60 Cb 0.03 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3gbr h ARG 60 CO -0.02 0.67 0.25 0.00 -1.07 0.00 0.00 179.97 179.80 3gbr h ALA 61 N 1.49 0.58 -0.20 0.04 0.00 -0.78 -0.16 119.26 120.22 3gbr h ALA 61 Ca 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3gbr h ALA 61 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3gbr h ALA 61 CO -0.04 0.10 0.07 0.52 0.00 0.00 0.00 179.25 179.89 3gbr h MET 62 N 0.59 0.31 -0.81 0.00 2.86 -0.92 -2.49 114.93 114.47 3gbr h MET 62 Ca 0.16 -0.06 0.14 0.00 -2.06 0.00 0.00 59.70 57.87 3gbr h MET 62 Cb 0.05 -0.05 -0.09 0.00 0.06 0.00 0.00 31.60 31.57 3gbr h MET 62 CO -0.03 0.40 0.39 0.00 1.06 0.00 0.00 176.91 178.74 3gbr h ARG 63 N 0.16 0.56 -0.35 1.72 3.08 -0.99 -0.50 114.38 118.06 3gbr h ARG 63 Ca 0.07 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3gbr h ARG 63 Cb 0.21 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3gbr h ARG 63 CO -0.00 0.37 0.12 1.49 -1.07 0.00 0.00 179.97 180.88 3gbr h GLU 64 N 0.58 0.54 -0.00 0.04 4.81 -0.76 -3.03 114.58 116.76 3gbr h GLU 64 Ca 0.44 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3gbr h GLU 64 Cb 0.61 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3gbr h GLU 64 CO -0.36 0.56 -0.18 1.28 -0.73 0.00 0.00 179.01 179.58 3gbr n LEU 65 N -4.66 0.54 -4.76 1.64 4.77 -0.96 -4.89 117.00 108.68 3gbr n LEU 65 Ca -0.01 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.62 3gbr n LEU 65 Cb 0.16 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 41.08 3gbr n LEU 65 CO 0.37 0.10 0.81 0.00 -1.33 0.00 0.00 177.39 177.34 3gbr s ALA 66 N -2.60 2.51 -0.12 -1.18 0.00 -0.22 -4.75 121.76 115.41 3gbr s ALA 66 Ca 0.24 0.88 -0.29 0.00 0.00 0.00 0.00 51.96 52.79 3gbr s ALA 66 Cb 0.19 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 3gbr s ALA 66 CO 0.52 -1.18 1.04 0.42 0.00 0.00 0.00 175.76 176.55 3gbr s ILE 67 N -1.79 4.70 -0.09 0.00 1.01 -0.27 -5.03 121.20 119.73 3gbr s ILE 67 Ca 0.74 1.99 0.00 0.00 0.00 0.00 0.00 60.65 63.38 3gbr s ILE 67 Cb -0.27 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 37.89 3gbr s ILE 67 CO 0.34 -0.03 -0.08 -0.54 0.00 0.00 0.00 174.94 174.64 3gbr s LYS 68 N 2.23 2.99 0.28 2.79 1.02 -1.26 -4.84 119.74 122.94 3gbr s LYS 68 Ca 0.49 -0.57 0.10 0.00 0.02 0.00 0.00 55.97 56.01 3gbr s LYS 68 Cb -0.19 -2.64 -0.05 0.00 -0.52 0.00 0.00 37.83 34.44 3gbr s LYS 68 CO 0.17 0.52 -0.08 0.96 -0.92 0.00 0.00 175.35 176.00 3gbr s ILE 69 N -0.42 3.04 -0.48 2.17 -4.36 -1.20 -5.05 121.20 114.90 3gbr s ILE 69 Ca 0.06 -2.10 -0.12 0.00 -0.26 0.00 0.00 60.65 58.23 3gbr s ILE 69 Cb -0.12 -2.64 0.10 0.00 1.25 0.00 0.00 42.46 41.05 3gbr s ILE 69 CO 0.02 -0.37 0.38 -0.62 0.24 0.00 0.00 174.94 174.58 3gbr s ASP 70 N -3.62 5.90 -0.42 4.36 3.68 -1.26 -4.07 116.67 121.24 3gbr s ASP 70 Ca 0.31 -1.69 0.08 0.00 2.13 0.00 0.00 52.55 53.39 3gbr s ASP 70 Cb -0.05 -2.09 0.30 0.00 -1.45 0.00 0.00 42.92 39.63 3gbr s ASP 70 CO 0.18 -0.70 0.83 0.52 0.13 0.00 0.00 175.17 176.14 3gbr n VAL 71 N 5.05 -0.19 -0.09 1.11 0.31 -1.03 -5.00 118.33 118.48 3gbr n VAL 71 Ca -0.11 -3.05 -0.05 0.00 -0.01 0.00 0.00 64.34 61.12 3gbr n VAL 71 Cb 0.42 0.23 0.14 0.00 -0.91 0.00 0.00 33.84 33.72 3gbr n VAL 71 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3gbr h PRO 72 N 3.35 0.77 0.00 5.55 0.13 -1.71 -2.59 132.00 137.49 3gbr h PRO 72 Ca -0.01 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3gbr h PRO 72 Cb 1.00 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3gbr h PRO 72 CO 0.35 0.84 0.00 0.27 -0.23 0.00 0.00 178.00 179.23 3gbr n ASN 73 N -4.17 0.11 -4.78 1.44 6.94 -1.26 -0.66 115.26 112.88 3gbr n ASN 73 Ca 0.02 0.55 -0.33 0.00 -0.02 0.00 0.00 54.58 54.80 3gbr n ASN 73 Cb 0.35 -0.56 0.04 0.00 -2.36 0.00 0.00 39.78 37.25 3gbr n ASN 73 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gbr s ALA 74 N -3.10 2.54 0.07 -2.53 0.00 -0.98 -4.66 121.76 113.09 3gbr s ALA 74 Ca 0.00 0.47 0.05 0.00 0.00 0.00 0.00 51.96 52.48 3gbr s ALA 74 Cb 0.02 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 3gbr s ALA 74 CO 0.06 -1.18 -0.04 -1.50 0.00 0.00 0.00 175.76 173.09 3gbr s ILE 75 N -2.43 3.76 0.06 0.00 2.07 -0.48 -3.64 121.20 120.54 3gbr s ILE 75 Ca 0.65 -0.99 0.07 0.00 -1.41 0.00 0.00 60.65 58.97 3gbr s ILE 75 Cb -0.19 -2.74 -0.03 0.00 0.13 0.00 0.00 42.46 39.63 3gbr s ILE 75 CO 0.42 0.20 -0.19 -0.62 -1.91 0.00 0.00 174.94 172.83 3gbr s ASP 76 N -2.03 2.32 -0.23 4.50 2.15 -0.81 -2.17 116.67 120.40 3gbr s ASP 76 Ca 0.22 -0.57 -0.00 0.00 0.43 0.00 0.00 52.55 52.63 3gbr s ASP 76 Cb -0.11 -0.16 0.06 0.00 -0.30 0.00 0.00 42.92 42.41 3gbr s ASP 76 CO 0.14 0.09 -0.02 0.28 -0.17 0.00 0.00 175.17 175.49 3gbr s THR 77 N -0.95 1.23 -0.06 1.71 -1.32 -1.26 -0.86 115.64 114.13 3gbr s THR 77 Ca 0.06 -1.05 -0.25 0.00 -1.21 0.00 0.00 61.69 59.23 3gbr s THR 77 Cb -0.09 -1.58 0.06 0.00 -1.51 0.00 0.00 72.50 69.37 3gbr s THR 77 CO 0.02 -0.16 0.57 0.00 -2.21 0.00 0.00 174.62 172.84 3gbr s ALA 78 N 1.53 -1.46 0.36 11.08 0.00 -0.13 -4.68 121.76 128.46 3gbr s ALA 78 Ca -0.04 1.10 0.08 0.00 0.00 0.00 0.00 51.96 53.10 3gbr s ALA 78 Cb -0.18 -0.11 -0.07 0.00 0.00 0.00 0.00 23.12 22.75 3gbr s ALA 78 CO -0.07 -0.33 -0.04 0.20 0.00 0.00 0.00 175.76 175.52 3gbr s GLY 79 N -1.02 2.26 0.39 0.00 0.00 -1.26 -0.93 107.32 106.76 3gbr s GLY 79 Ca -0.10 -2.15 0.26 0.00 0.00 0.00 0.00 44.72 42.73 3gbr s GLY 79 CO 0.07 -2.02 1.75 -0.91 0.00 0.00 0.00 173.10 172.00 3gbr h THR 80 N 1.97 0.00 -0.51 0.90 1.35 -1.17 -3.42 112.91 112.03 3gbr h THR 80 Ca -0.42 -0.65 0.01 0.00 -0.55 0.00 0.00 66.41 64.80 3gbr h THR 80 Cb 1.24 1.62 -0.00 0.00 -1.73 0.00 0.00 68.15 69.28 3gbr h THR 80 CO 0.74 0.00 -0.02 0.61 -0.25 0.00 0.00 175.52 176.60 3gbr n GLY 81 N 0.75 -1.89 0.00 5.82 0.00 -1.26 -4.82 105.19 103.79 3gbr n GLY 81 Ca 0.03 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3gbr n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gbr n GLY 82 N -0.27 -0.14 0.00 -0.02 0.00 -1.26 -4.26 105.19 99.24 3gbr n GLY 82 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 3gbr n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gbr n GLY 83 N 0.02 2.18 2.06 -0.02 0.00 -1.26 -4.59 105.19 103.58 3gbr n GLY 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3gbr n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gbr n GLY 84 N -1.31 1.84 3.67 -0.02 0.00 -1.26 -4.95 105.19 103.15 3gbr n GLY 84 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3gbr n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gbr s LEU 85 N 0.00 4.18 -1.26 0.99 2.01 -1.26 -4.97 118.68 118.36 3gbr s LEU 85 Ca 0.00 1.29 -0.12 0.00 0.01 0.00 0.00 54.13 55.31 3gbr s LEU 85 Cb 0.00 -3.36 0.16 0.00 0.01 0.00 0.00 46.19 43.00 3gbr s LEU 85 CO 0.00 -0.46 1.71 0.61 1.01 0.00 0.00 176.35 179.23 3gbr n GLY 86 N 3.36 4.11 3.90 -3.19 0.00 -1.26 -5.00 105.19 107.12 3gbr n GLY 86 Ca 0.07 -2.02 -0.28 0.00 0.00 0.00 0.00 46.02 43.79 3gbr n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gbr s THR 87 N 1.12 4.82 0.43 2.61 -4.23 -1.26 -0.30 115.64 118.82 3gbr s THR 87 Ca 0.42 0.26 -0.23 0.00 -1.18 0.00 0.00 61.69 60.96 3gbr s THR 87 Cb 0.05 -3.84 -0.12 0.00 1.34 0.00 0.00 72.50 69.93 3gbr s THR 87 CO 0.00 -0.86 0.67 0.55 -0.54 0.00 0.00 174.62 174.45 3gbr n VAL 88 N -2.33 2.02 -2.06 2.29 3.14 0.19 -4.67 118.33 116.92 3gbr n VAL 88 Ca 0.01 -0.50 -0.36 0.00 -2.96 0.00 0.00 64.34 60.53 3gbr n VAL 88 Cb 0.55 -0.71 -0.04 0.00 -1.06 0.00 0.00 33.84 32.59 3gbr n VAL 88 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3gbr n ASN 89 N 1.01 3.64 -0.01 6.55 3.02 -1.26 -4.76 115.26 123.43 3gbr n ASN 89 Ca 0.11 -2.78 -0.15 0.00 -0.03 0.00 0.00 54.58 51.74 3gbr n ASN 89 Cb 0.40 -1.64 -0.03 0.00 -0.61 0.00 0.00 39.78 37.89 3gbr n ASN 89 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 3gbr h VAL 90 N 5.53 1.30 -0.16 2.41 3.04 -1.98 -2.48 116.25 123.91 3gbr h VAL 90 Ca 0.35 -1.95 -0.10 0.00 -1.01 0.00 0.00 66.70 63.99 3gbr h VAL 90 Cb 0.85 1.93 -0.01 0.00 -2.01 0.00 0.00 31.29 32.05 3gbr h VAL 90 CO 1.47 0.61 -0.33 0.28 -1.01 0.00 0.00 177.57 178.59 3gbr h SER 91 N 0.50 0.33 -0.42 3.17 0.02 -1.88 0.20 113.55 115.48 3gbr h SER 91 Ca -0.03 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.68 3gbr h SER 91 Cb 1.32 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 3gbr h SER 91 CO 0.14 0.65 -0.20 0.74 -1.14 0.00 0.00 176.83 177.03 3gbr h THR 92 N 0.28 1.28 -0.28 -2.27 2.02 -1.81 0.21 112.91 112.34 3gbr h THR 92 Ca 0.04 -1.34 0.00 0.00 0.77 0.00 0.00 66.41 65.88 3gbr h THR 92 Cb 0.73 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 3gbr h THR 92 CO 0.06 0.45 0.18 0.00 0.37 0.00 0.00 175.52 176.58 3gbr h ALA 93 N 0.83 0.35 -0.76 6.16 0.00 -1.15 -2.70 119.26 121.98 3gbr h ALA 93 Ca 0.09 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3gbr h ALA 93 Cb 0.76 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3gbr h ALA 93 CO 0.06 -0.17 0.50 1.03 0.00 0.00 0.00 179.25 180.68 3gbr h SER 94 N 0.37 0.79 -0.97 0.00 0.87 -0.51 -2.31 113.55 111.80 3gbr h SER 94 Ca 0.10 -0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.72 3gbr h SER 94 Cb -0.03 -0.18 -0.07 0.00 -0.44 0.00 0.00 62.40 61.69 3gbr h SER 94 CO -0.02 0.54 0.62 0.00 -0.53 0.00 0.00 176.83 177.44 3gbr h ALA 95 N 1.56 1.34 -0.71 6.23 0.00 -0.63 -1.16 119.26 125.89 3gbr h ALA 95 Ca 0.31 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3gbr h ALA 95 Cb 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3gbr h ALA 95 CO -0.09 0.39 0.21 0.82 0.00 0.00 0.00 179.25 180.58 3gbr h ILE 96 N 1.12 1.26 0.06 0.00 2.04 -1.23 -1.05 117.51 119.70 3gbr h ILE 96 Ca 0.42 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 3gbr h ILE 96 Cb 0.18 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3gbr h ILE 96 CO -0.18 0.35 -0.03 -0.07 0.00 0.00 0.00 178.15 178.22 3gbr h LEU 97 N 1.04 -0.07 -2.06 1.44 3.38 -1.37 -3.17 115.31 114.51 3gbr h LEU 97 Ca 0.23 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3gbr h LEU 97 Cb 0.31 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3gbr h LEU 97 CO -0.01 0.14 -0.05 -0.07 0.09 0.00 0.00 178.44 178.54 3gbr h LEU 98 N -0.27 0.00 -1.50 1.67 3.38 -1.01 -2.10 115.31 115.47 3gbr h LEU 98 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3gbr h LEU 98 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3gbr h LEU 98 CO 0.01 0.05 0.00 0.77 0.09 0.00 0.00 178.44 179.37 3gbr h SER 99 N 0.00 0.00 -0.53 -0.43 4.64 -1.16 -0.37 113.55 115.70 3gbr h SER 99 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3gbr h SER 99 Cb 0.11 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 3gbr h SER 99 CO 0.01 0.00 0.24 -0.07 -0.87 0.00 0.00 176.83 176.14 3gbr h LEU 100 N 0.00 0.74 -0.62 5.97 4.07 -1.48 -3.34 115.31 120.64 3gbr h LEU 100 Ca 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.88 3gbr h LEU 100 Cb 0.40 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.95 3gbr h LEU 100 CO 0.00 0.65 -0.05 1.33 -1.08 0.00 0.00 178.44 179.29 3gbr n VAL 101 N -4.34 0.00 -3.58 1.22 0.24 -0.83 -5.05 118.33 105.99 3gbr n VAL 101 Ca 0.05 -0.47 -0.14 0.00 -2.04 0.00 0.00 64.34 61.73 3gbr n VAL 101 Cb 0.15 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 33.49 3gbr n VAL 101 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3gbr s ASN 102 N -0.67 -0.60 0.41 -1.34 2.47 -0.21 -5.14 114.94 109.85 3gbr s ASN 102 Ca 0.02 0.90 -0.26 0.00 0.42 0.00 0.00 52.86 53.94 3gbr s ASN 102 Cb 0.02 0.82 -0.10 0.00 -1.45 0.00 0.00 41.25 40.54 3gbr s ASN 102 CO 0.07 -0.39 1.35 -0.81 -3.72 0.00 0.00 177.10 173.59 3gbr n PRO 103 N 1.59 2.16 -4.25 0.43 -0.04 -1.26 -3.78 135.00 129.84 3gbr n PRO 103 Ca -0.15 0.76 -0.27 0.00 -0.04 0.00 0.00 63.50 63.80 3gbr n PRO 103 Cb 0.56 -2.48 -0.17 0.00 -0.04 0.00 0.00 33.50 31.38 3gbr n PRO 103 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3gbr s VAL 104 N -1.17 1.28 -0.46 0.52 1.01 0.02 -1.39 120.40 120.22 3gbr s VAL 104 Ca 0.59 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.08 3gbr s VAL 104 Cb -0.50 -1.21 0.12 0.00 0.00 0.00 0.00 36.38 34.79 3gbr s VAL 104 CO 0.60 0.40 0.22 0.00 0.00 0.00 0.00 175.10 176.32 3gbr s ALA 105 N 1.21 3.21 0.36 5.51 0.00 -0.92 -1.27 121.76 129.86 3gbr s ALA 105 Ca -0.03 -2.90 -0.10 0.00 0.00 0.00 0.00 51.96 48.93 3gbr s ALA 105 Cb -0.14 -2.26 -0.07 0.00 0.00 0.00 0.00 23.12 20.65 3gbr s ALA 105 CO -0.04 -1.89 0.71 0.21 0.00 0.00 0.00 175.76 174.75 3gbr s LYS 106 N 0.41 3.79 0.14 0.00 2.47 0.15 -4.55 119.74 122.16 3gbr s LYS 106 Ca 0.13 0.41 -0.11 0.00 -1.56 0.00 0.00 55.97 54.85 3gbr s LYS 106 Cb -0.22 -2.46 0.00 0.00 -1.46 0.00 0.00 37.83 33.69 3gbr s LYS 106 CO -0.04 0.07 0.29 -3.38 0.16 0.00 0.00 175.35 172.45 3gbr s HIS 107 N -2.21 0.19 -5.00 4.03 -3.43 -1.26 0.56 115.29 108.17 3gbr s HIS 107 Ca 0.50 -0.56 0.00 0.00 -0.80 0.00 0.00 55.06 54.20 3gbr s HIS 107 Cb -0.10 0.03 0.00 0.00 -1.43 0.00 0.00 32.58 31.08 3gbr s HIS 107 CO 0.28 -0.68 0.00 0.41 -2.00 0.00 0.00 174.74 172.75 3gbr n GLY 108 N -0.18 0.39 3.52 -1.38 0.00 -0.99 -4.91 105.19 101.65 3gbr n GLY 108 Ca -0.11 -1.71 -0.24 0.00 0.00 0.00 0.00 46.02 43.95 3gbr n GLY 108 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gbr s ASN 109 N -4.00 3.77 0.66 1.61 0.01 -1.26 -1.02 114.94 114.71 3gbr s ASN 109 Ca 0.00 -1.03 -0.17 0.00 -0.71 0.00 0.00 52.86 50.94 3gbr s ASN 109 Cb 0.00 -0.39 -0.00 0.00 0.41 0.00 0.00 41.25 41.27 3gbr s ASN 109 CO 0.00 -0.05 1.27 -0.13 -1.51 0.00 0.00 177.10 176.67 3gbr s ARG 110 N -3.57 2.51 0.00 -0.60 3.00 -1.26 -4.21 118.95 114.82 3gbr s ARG 110 Ca 0.31 1.98 0.00 0.00 0.00 0.00 0.00 55.73 58.02 3gbr s ARG 110 Cb -0.03 -1.85 0.00 0.00 0.00 0.00 0.00 34.95 33.07 3gbr s ARG 110 CO 0.16 -1.61 0.00 0.00 0.00 0.00 0.00 175.30 173.86 3gbr n ALA 111 N -2.04 0.00 -0.73 2.13 0.00 -1.26 -4.96 120.51 113.65 3gbr n ALA 111 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.68 3gbr n ALA 111 Cb 0.49 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.31 3gbr n ALA 111 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3gbr n LYS 115 N 0.00 4.07 -3.57 0.00 2.85 -1.26 -4.96 118.16 115.29 3gbr n LYS 115 Ca 0.00 -2.97 -0.29 0.00 -1.05 0.00 0.00 58.31 54.00 3gbr n LYS 115 Cb 0.00 -2.00 -0.14 0.00 -0.65 0.00 0.00 35.03 32.24 3gbr n LYS 115 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 3gbr s SER 116 N -0.92 3.46 0.74 -5.58 0.15 -1.26 -4.25 113.70 106.04 3gbr s SER 116 Ca 0.52 -1.82 -0.02 0.00 0.70 0.00 0.00 55.95 55.33 3gbr s SER 116 Cb 0.36 -0.55 0.14 0.00 -1.71 0.00 0.00 66.02 64.26 3gbr s SER 116 CO 0.21 -0.37 0.96 0.61 1.20 0.00 0.00 173.24 175.85 3gbr n GLY 117 N 4.56 0.41 0.24 9.45 0.00 -1.26 -4.85 105.19 113.75 3gbr n GLY 117 Ca 0.03 -1.99 -0.05 0.00 0.00 0.00 0.00 46.02 44.01 3gbr n GLY 117 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3gbr h SER 118 N -0.67 0.61 -0.80 1.61 0.87 -1.97 -2.19 113.55 111.01 3gbr h SER 118 Ca -0.31 -0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.27 3gbr h SER 118 Cb 1.12 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.91 3gbr h SER 118 CO 0.32 0.43 0.53 0.00 -0.53 0.00 0.00 176.83 177.58 3gbr h ALA 119 N 1.25 1.48 -0.21 6.23 0.00 -1.92 -2.55 119.26 123.54 3gbr h ALA 119 Ca 0.24 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3gbr h ALA 119 Cb 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3gbr h ALA 119 CO -0.09 0.46 -0.18 -0.44 0.00 0.00 0.00 179.25 179.00 3gbr h ASP 120 N 1.03 0.53 -0.49 0.00 3.32 -1.72 -2.04 116.42 117.04 3gbr h ASP 120 Ca 0.31 -0.46 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 3gbr h ASP 120 Cb -0.04 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 3gbr h ASP 120 CO -0.08 0.88 0.18 1.62 -1.72 0.00 0.00 179.24 180.12 3gbr h VAL 121 N 0.18 1.22 -0.64 -1.35 3.04 -1.34 -2.29 116.25 115.05 3gbr h VAL 121 Ca 0.04 -0.71 0.05 0.00 -1.01 0.00 0.00 66.70 65.07 3gbr h VAL 121 Cb 0.72 0.76 -0.05 0.00 -2.01 0.00 0.00 31.29 30.71 3gbr h VAL 121 CO 0.05 0.26 0.36 -0.07 -1.01 0.00 0.00 177.57 177.16 3gbr h LEU 122 N 0.66 0.54 -1.10 3.16 3.38 -1.42 -1.41 115.31 119.12 3gbr h LEU 122 Ca 0.16 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3gbr h LEU 122 Cb 0.23 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3gbr h LEU 122 CO -0.01 0.36 -0.14 -0.33 0.09 0.00 0.00 178.44 178.41 3gbr h GLU 123 N 0.67 0.47 -0.30 1.13 5.08 -1.17 0.21 114.58 120.67 3gbr h GLU 123 Ca 0.28 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 3gbr h GLU 123 Cb 0.16 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3gbr h GLU 123 CO -0.17 0.60 -0.27 0.00 -1.00 0.00 0.00 179.01 178.17 3gbr h ALA 124 N 1.43 0.98 0.00 3.43 0.00 -0.90 -2.27 119.26 121.92 3gbr h ALA 124 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3gbr h ALA 124 Cb 0.50 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3gbr h ALA 124 CO 0.03 0.60 0.00 -0.07 0.00 0.00 0.00 179.25 179.81 3gbr h LEU 125 N 0.52 0.00 0.00 0.00 4.07 -0.91 -3.41 115.31 115.58 3gbr h LEU 125 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 3gbr h LEU 125 Cb 0.74 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.48 3gbr h LEU 125 CO 0.06 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.03 3gbr n GLY 126 N 0.15 1.00 3.76 0.83 0.00 -0.73 -2.33 105.19 107.86 3gbr n GLY 126 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3gbr n GLY 126 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gbr s TYR 127 N -2.00 3.38 -0.73 1.61 5.04 -0.01 0.06 117.35 124.70 3gbr s TYR 127 Ca 0.00 1.60 -0.21 0.00 -2.44 0.00 0.00 57.07 56.02 3gbr s TYR 127 Cb 0.00 -3.42 0.09 0.00 0.35 0.00 0.00 41.96 38.98 3gbr s TYR 127 CO 0.00 -1.02 0.97 1.21 -1.34 0.00 0.00 175.55 175.38 3gbr s ASN 128 N -0.77 6.30 0.17 4.32 2.47 -0.96 -4.24 114.94 122.23 3gbr s ASN 128 Ca 0.47 -1.36 0.20 0.00 0.42 0.00 0.00 52.86 52.59 3gbr s ASN 128 Cb -0.34 -2.40 0.85 0.00 -1.45 0.00 0.00 41.25 37.91 3gbr s ASN 128 CO 0.45 -1.29 1.62 2.30 -3.72 0.00 0.00 177.10 176.46 3gbr n ILE 129 N 5.75 0.90 -3.22 -5.21 -5.35 -1.26 -4.35 119.36 106.62 3gbr n ILE 129 Ca 0.03 0.25 -0.45 0.00 -0.27 0.00 0.00 62.75 62.32 3gbr n ILE 129 Cb 0.46 -1.12 -0.06 0.00 -1.74 0.00 0.00 39.64 37.18 3gbr n ILE 129 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3gbr s ILE 130 N -3.21 4.99 -0.29 7.28 -1.09 -1.26 -3.77 121.20 123.84 3gbr s ILE 130 Ca 0.05 -0.93 0.02 0.00 -2.23 0.00 0.00 60.65 57.56 3gbr s ILE 130 Cb 0.09 -4.33 0.08 0.00 -1.58 0.00 0.00 42.46 36.73 3gbr s ILE 130 CO 0.34 -0.87 0.02 -0.69 -1.23 0.00 0.00 174.94 172.51 3gbr s VAL 131 N 2.27 1.68 0.87 2.92 1.01 -1.26 -5.10 120.40 122.80 3gbr s VAL 131 Ca 0.10 -1.71 -0.13 0.00 0.00 0.00 0.00 61.98 60.24 3gbr s VAL 131 Cb -0.24 -2.12 0.06 0.00 0.00 0.00 0.00 36.38 34.08 3gbr s VAL 131 CO 0.08 -0.42 0.76 -2.65 0.00 0.00 0.00 175.10 172.86 3gbr n PRO 132 N 4.55 -0.10 -0.07 2.72 -0.02 -1.26 -4.65 135.00 136.17 3gbr n PRO 132 Ca -0.04 0.03 -0.07 0.00 -2.02 0.00 0.00 63.50 61.40 3gbr n PRO 132 Cb 0.43 -2.09 -0.01 0.00 -0.02 0.00 0.00 33.50 31.80 3gbr n PRO 132 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3gbr h PRO 133 N -1.25 0.07 0.15 0.52 0.13 -1.99 -1.25 132.00 128.39 3gbr h PRO 133 Ca -0.44 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 3gbr h PRO 133 Cb 1.30 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 3gbr h PRO 133 CO 0.40 0.05 -0.08 0.93 -0.23 0.00 0.00 178.00 179.06 3gbr h GLU 134 N 0.07 -0.21 0.00 0.86 3.07 -1.99 -2.13 114.58 114.25 3gbr h GLU 134 Ca 0.12 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.97 3gbr h GLU 134 Cb 0.16 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.12 3gbr h GLU 134 CO -0.21 -0.14 -0.14 0.07 -1.40 0.00 0.00 179.01 177.18 3gbr h ARG 135 N -0.22 0.00 0.34 2.33 0.11 -1.90 -2.52 114.38 112.53 3gbr h ARG 135 Ca -0.02 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.05 3gbr h ARG 135 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 3gbr h ARG 135 CO 0.03 0.14 -0.17 0.00 0.10 0.00 0.00 179.97 180.07 3gbr h ALA 136 N 1.86 -0.46 -0.84 0.08 0.00 -0.69 0.19 119.26 119.39 3gbr h ALA 136 Ca -0.00 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.87 3gbr h ALA 136 Cb 0.65 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 3gbr h ALA 136 CO 0.02 -0.67 0.55 0.87 0.00 0.00 0.00 179.25 180.02 3gbr h LYS 137 N -0.64 0.71 -0.15 0.00 1.57 -1.36 -0.62 116.57 116.08 3gbr h LYS 137 Ca -0.05 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3gbr h LYS 137 Cb 0.46 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3gbr h LYS 137 CO 0.08 0.47 0.09 1.49 -0.57 0.00 0.00 179.45 181.01 3gbr h GLU 138 N 0.74 0.21 0.00 3.15 4.81 -1.09 -1.14 114.58 121.25 3gbr h GLU 138 Ca 0.40 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.51 3gbr h GLU 138 Cb 0.55 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3gbr h GLU 138 CO -0.17 0.19 -0.50 -0.07 -0.73 0.00 0.00 179.01 177.74 3gbr h LEU 139 N 0.16 0.00 -0.23 1.64 3.38 0.11 0.25 115.31 120.62 3gbr h LEU 139 Ca 0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3gbr h LEU 139 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3gbr h LEU 139 CO -0.01 0.50 -0.10 0.58 0.09 0.00 0.00 178.44 179.50 3gbr h VAL 140 N 0.00 1.30 -0.06 1.22 2.07 -1.04 0.28 116.25 120.01 3gbr h VAL 140 Ca -0.00 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.39 3gbr h VAL 140 Cb 0.91 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 3gbr h VAL 140 CO 0.06 0.36 -0.09 0.78 0.02 0.00 0.00 177.57 178.70 3gbr h ASN 141 N 0.20 -0.27 0.22 0.57 2.35 -0.88 0.37 115.58 118.13 3gbr h ASN 141 Ca 0.05 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3gbr h ASN 141 Cb 0.59 0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.09 3gbr h ASN 141 CO 0.03 -0.12 -0.10 0.11 -1.65 0.00 0.00 177.43 175.69 3gbr h LYS 142 N -0.12 -0.28 -0.01 0.81 1.57 -0.92 -3.38 116.57 114.23 3gbr h LYS 142 Ca 0.06 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3gbr h LYS 142 Cb 0.20 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3gbr h LYS 142 CO -0.14 0.07 0.00 0.25 -0.57 0.00 0.00 179.45 179.06 3gbr n THR 143 N -5.05 0.00 -1.71 -0.16 -2.24 0.96 -5.00 114.28 101.10 3gbr n THR 143 Ca -0.09 -0.50 -0.18 0.00 -2.27 0.00 0.00 64.05 61.00 3gbr n THR 143 Cb 0.25 1.20 -0.06 0.00 -2.10 0.00 0.00 70.33 69.62 3gbr n THR 143 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3gbr n ASN 144 N 0.55 -5.26 -3.71 3.42 4.05 0.13 -4.91 115.26 109.53 3gbr n ASN 144 Ca 0.06 0.36 -0.13 0.00 0.45 0.00 0.00 54.58 55.31 3gbr n ASN 144 Cb 0.25 -4.37 -0.09 0.00 1.23 0.00 0.00 39.78 36.79 3gbr n ASN 144 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 3gbr s PHE 145 N -2.74 -0.51 -0.12 1.20 5.36 -1.25 -0.80 117.98 119.12 3gbr s PHE 145 Ca 0.00 1.23 -0.17 0.00 -0.96 0.00 0.00 56.93 57.03 3gbr s PHE 145 Cb 0.00 0.18 0.04 0.00 -0.34 0.00 0.00 43.02 42.90 3gbr s PHE 145 CO 0.00 -0.26 0.44 0.54 -1.46 0.00 0.00 175.22 174.48 3gbr s VAL 146 N 0.19 0.01 -0.20 3.12 0.11 -0.40 -4.00 120.40 119.23 3gbr s VAL 146 Ca -0.01 -0.11 -0.07 0.00 -2.93 0.00 0.00 61.98 58.86 3gbr s VAL 146 Cb -0.03 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 3gbr s VAL 146 CO 0.01 -0.06 0.06 0.12 -3.33 0.00 0.00 175.10 171.90 3gbr s PHE 147 N -0.26 3.18 -0.43 1.54 5.36 -1.26 -0.67 117.98 125.44 3gbr s PHE 147 Ca -0.04 -0.10 -0.08 0.00 -0.96 0.00 0.00 56.93 55.75 3gbr s PHE 147 Cb -0.03 -2.12 0.10 0.00 -0.34 0.00 0.00 43.02 40.63 3gbr s PHE 147 CO 0.02 -0.02 0.27 -0.51 -1.46 0.00 0.00 175.22 173.53 3gbr s LEU 148 N 0.76 5.33 0.09 6.12 1.43 0.19 -4.54 118.68 128.07 3gbr s LEU 148 Ca 0.03 -1.75 -0.31 0.00 -1.03 0.00 0.00 54.13 51.07 3gbr s LEU 148 Cb -0.13 -1.96 -0.07 0.00 0.03 0.00 0.00 46.19 44.05 3gbr s LEU 148 CO 0.02 -0.59 1.39 -0.55 0.23 0.00 0.00 176.35 176.85 3gbr s SER 149 N 2.24 6.84 0.53 2.29 0.15 -1.25 -2.34 113.70 122.16 3gbr s SER 149 Ca 0.05 2.28 0.22 0.00 0.70 0.00 0.00 55.95 59.20 3gbr s SER 149 Cb -0.24 -2.58 1.36 0.00 -1.71 0.00 0.00 66.02 62.85 3gbr s SER 149 CO -0.00 -0.66 2.05 0.00 1.20 0.00 0.00 173.24 175.83 3gbr h ALA 150 N 6.98 2.31 -0.23 5.45 0.00 -1.45 -0.13 119.26 132.19 3gbr h ALA 150 Ca -0.42 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 3gbr h ALA 150 Cb 1.21 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3gbr h ALA 150 CO 0.87 -0.41 0.12 1.96 0.00 0.00 0.00 179.25 181.79 3gbr h GLN 151 N 0.00 0.31 0.06 0.00 1.08 -1.83 0.13 115.11 114.86 3gbr h GLN 151 Ca 0.16 -0.02 -0.37 0.00 -1.45 0.00 0.00 58.65 56.96 3gbr h GLN 151 Cb 0.64 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.96 3gbr h GLN 151 CO -0.00 0.23 -2.18 0.98 -0.95 0.00 0.00 178.83 176.91 3gbr n TYR 152 N -4.47 0.64 0.20 2.96 9.36 -0.42 -4.26 117.16 121.16 3gbr n TYR 152 Ca 0.00 0.15 0.11 0.00 3.32 0.00 0.00 57.90 61.49 3gbr n TYR 152 Cb 0.10 -1.08 -0.10 0.00 -0.63 0.00 0.00 39.34 37.63 3gbr n TYR 152 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3gbr n TYR 153 N -3.52 0.24 -3.02 2.98 4.02 -0.20 -4.17 117.16 113.50 3gbr n TYR 153 Ca -0.39 0.07 -0.25 0.00 -0.01 0.00 0.00 57.90 57.31 3gbr n TYR 153 Cb 0.99 -0.54 -0.04 0.00 -0.02 0.00 0.00 39.34 39.73 3gbr n TYR 153 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3gbr n HIS 154 N -2.22 3.22 -0.09 -0.72 8.25 0.46 -1.11 115.22 123.00 3gbr n HIS 154 Ca -0.01 -3.97 -0.01 0.00 -0.26 0.00 0.00 57.72 53.47 3gbr n HIS 154 Cb 0.52 -0.48 0.26 0.00 1.12 0.00 0.00 29.99 31.41 3gbr n HIS 154 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3gbr h PRO 155 N 3.06 0.73 0.00 -0.41 0.13 -1.72 -2.43 132.00 131.36 3gbr h PRO 155 Ca 0.13 -0.12 -0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3gbr h PRO 155 Cb 0.61 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 3gbr h PRO 155 CO 0.75 0.63 -0.01 0.00 -0.23 0.00 0.00 178.00 179.14 3gbr h ALA 156 N 1.47 1.47 0.00 -0.56 0.00 -1.85 -1.54 119.26 118.24 3gbr h ALA 156 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3gbr h ALA 156 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3gbr h ALA 156 CO -0.01 0.02 0.00 0.52 0.00 0.00 0.00 179.25 179.78 3gbr h MET 157 N 0.00 0.00 -0.40 0.00 2.86 -1.65 -1.57 114.93 114.17 3gbr h MET 157 Ca -0.00 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.76 3gbr h MET 157 Cb 0.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 3gbr h MET 157 CO 0.00 0.00 0.31 0.87 1.06 0.00 0.00 176.91 179.15 3gbr h LYS 158 N 0.00 0.00 0.00 1.72 1.57 -1.44 -1.91 116.57 116.51 3gbr h LYS 158 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gbr h LYS 158 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3gbr h LYS 158 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 3gbr n ASN 159 N -4.29 0.45 0.00 0.86 3.02 -0.59 -3.31 115.26 111.40 3gbr n ASN 159 Ca 0.07 0.63 0.00 0.00 -0.03 0.00 0.00 54.58 55.25 3gbr n ASN 159 Cb 0.50 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 3gbr n ASN 159 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3gbr n VAL 160 N -2.02 0.51 -0.36 2.41 0.24 -0.74 -4.80 118.33 113.57 3gbr n VAL 160 Ca 0.02 -0.66 -0.00 0.00 -2.04 0.00 0.00 64.34 61.65 3gbr n VAL 160 Cb 0.16 0.82 0.15 0.00 -1.47 0.00 0.00 33.84 33.50 3gbr n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gbr h ALA 161 N 0.00 1.34 0.14 2.33 0.00 -1.50 -1.37 119.26 120.20 3gbr h ALA 161 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3gbr h ALA 161 Cb 0.41 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3gbr h ALA 161 CO 0.00 0.58 -0.07 -0.97 0.00 0.00 0.00 179.25 178.79 3gbr h ASN 162 N 1.27 -0.16 -0.44 0.00 -0.00 -1.87 -1.41 115.58 112.97 3gbr h ASN 162 Ca 0.38 -0.33 0.08 0.00 -0.00 0.00 0.00 56.30 56.43 3gbr h ASN 162 Cb -0.05 0.04 -0.07 0.00 -0.00 0.00 0.00 38.32 38.25 3gbr h ASN 162 CO -0.11 0.28 0.05 0.58 -0.00 0.00 0.00 177.43 178.23 3gbr h VAL 163 N -0.63 0.72 -0.12 2.57 2.07 -1.88 0.15 116.25 119.13 3gbr h VAL 163 Ca -0.02 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.46 3gbr h VAL 163 Cb 0.48 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3gbr h VAL 163 CO 0.03 0.03 -0.02 0.03 0.02 0.00 0.00 177.57 177.67 3gbr h ARG 164 N 0.17 0.02 -0.53 1.57 3.08 -1.23 0.73 114.38 118.20 3gbr h ARG 164 Ca 0.22 -0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.15 3gbr h ARG 164 Cb 0.30 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3gbr h ARG 164 CO -0.32 0.01 -0.15 -0.22 -1.07 0.00 0.00 179.97 178.22 3gbr h LYS 165 N 0.02 1.03 -0.40 0.04 3.64 -0.92 -2.88 116.57 117.10 3gbr h LYS 165 Ca 0.06 -0.41 -0.08 0.00 -1.27 0.00 0.00 60.65 58.95 3gbr h LYS 165 Cb 0.08 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3gbr h LYS 165 CO -0.11 1.10 -0.06 1.15 -2.27 0.00 0.00 179.45 179.25 3gbr h THR 166 N 0.90 1.27 -0.71 1.00 2.02 -0.52 -2.99 112.91 113.90 3gbr h THR 166 Ca 0.13 -1.13 0.10 0.00 0.77 0.00 0.00 66.41 66.28 3gbr h THR 166 Cb 0.73 1.20 -0.07 0.00 -1.74 0.00 0.00 68.15 68.26 3gbr h THR 166 CO 0.06 0.38 0.34 -0.07 0.37 0.00 0.00 175.52 176.59 3gbr h LEU 167 N 0.56 0.42 1.18 2.58 3.38 -0.84 -3.46 115.31 119.13 3gbr h LEU 167 Ca 0.10 0.07 -0.33 0.00 0.09 0.00 0.00 57.88 57.82 3gbr h LEU 167 Cb 0.57 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 3gbr h LEU 167 CO 0.03 0.23 -0.33 0.61 0.09 0.00 0.00 178.44 179.08 3gbr n GLY 168 N -1.30 1.09 3.26 0.83 0.00 -1.09 -4.99 105.19 102.98 3gbr n GLY 168 Ca 0.11 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 3gbr n GLY 168 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gbr s ILE 169 N -2.65 1.28 0.41 -0.61 -4.36 -1.26 -5.13 121.20 108.87 3gbr s ILE 169 Ca 0.00 -2.03 -0.24 0.00 -0.26 0.00 0.00 60.65 58.12 3gbr s ILE 169 Cb 0.00 -1.83 -0.08 0.00 1.25 0.00 0.00 42.46 41.80 3gbr s ILE 169 CO 0.00 -0.68 1.09 -0.13 0.24 0.00 0.00 174.94 175.46 3gbr s ARG 170 N -3.57 4.05 0.22 0.37 0.52 -1.26 -5.02 118.95 114.26 3gbr s ARG 170 Ca 0.16 1.62 0.03 0.00 -0.52 0.00 0.00 55.73 57.02 3gbr s ARG 170 Cb 0.01 -2.53 -0.01 0.00 0.52 0.00 0.00 34.95 32.94 3gbr s ARG 170 CO 0.02 -0.26 0.11 0.25 0.02 0.00 0.00 175.30 175.44 3gbr n THR 171 N -0.15 0.00 -0.32 0.02 -2.24 -1.26 -5.02 114.28 105.31 3gbr n THR 171 Ca 0.05 -1.36 0.09 0.00 -2.27 0.00 0.00 64.05 60.57 3gbr n THR 171 Cb 0.49 0.56 0.30 0.00 -2.10 0.00 0.00 70.33 69.58 3gbr n THR 171 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3gbr h ILE 172 N 1.46 0.88 -0.21 2.28 2.10 -1.96 -1.00 117.51 121.05 3gbr h ILE 172 Ca -0.16 -0.30 0.06 0.00 1.08 0.00 0.00 64.86 65.54 3gbr h ILE 172 Cb 0.68 -0.06 -0.01 0.00 -1.09 0.00 0.00 36.82 36.35 3gbr h ILE 172 CO 0.25 0.16 0.16 -0.26 -1.08 0.00 0.00 178.15 177.38 3gbr h PHE 173 N 0.86 0.00 0.00 2.19 -1.00 -2.00 -2.05 116.94 114.94 3gbr h PHE 173 Ca 0.48 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.26 3gbr h PHE 173 Cb 0.60 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.16 3gbr h PHE 173 CO -0.00 0.00 0.00 0.09 -1.61 0.00 0.00 178.31 176.79 3gbr n ASN 174 N -4.43 0.00 -0.09 2.17 3.02 -0.38 -2.79 115.26 112.76 3gbr n ASN 174 Ca 0.02 -0.94 0.01 0.00 -0.03 0.00 0.00 54.58 53.64 3gbr n ASN 174 Cb 0.30 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.49 3gbr n ASN 174 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3gbr n ILE 175 N -0.90 0.61 0.25 2.41 -5.35 -0.77 -4.73 119.36 110.87 3gbr n ILE 175 Ca 0.15 -0.80 0.07 0.00 -0.27 0.00 0.00 62.75 61.90 3gbr n ILE 175 Cb 0.07 0.71 -0.10 0.00 -1.74 0.00 0.00 39.64 38.58 3gbr n ILE 175 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3gbr n LEU 176 N -0.16 0.25 -0.16 7.28 4.77 -1.12 -4.70 117.00 123.16 3gbr n LEU 176 Ca 0.02 -0.18 -0.11 0.00 -0.03 0.00 0.00 56.01 55.71 3gbr n LEU 176 Cb 0.19 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.20 3gbr n LEU 176 CO 0.01 0.06 0.49 1.23 -1.33 0.00 0.00 177.39 177.86 3gbr h GLY 177 N 3.01 -1.21 1.37 -0.72 0.00 -1.86 0.47 103.07 104.13 3gbr h GLY 177 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 47.33 48.11 3gbr h GLY 177 CO 0.00 -0.23 0.00 -1.55 0.00 0.00 0.00 176.54 174.76 3gbr n PRO 178 N -4.83 0.33 -0.08 4.80 -0.04 -1.26 -2.11 135.00 131.80 3gbr n PRO 178 Ca -0.02 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 3gbr n PRO 178 Cb 0.26 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.39 3gbr n PRO 178 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3gbr n LEU 179 N -1.18 3.09 -1.83 1.53 4.77 0.11 -4.60 117.00 118.90 3gbr n LEU 179 Ca 0.09 -1.17 -0.02 0.00 -0.03 0.00 0.00 56.01 54.88 3gbr n LEU 179 Cb 0.10 -0.10 0.07 0.00 -2.33 0.00 0.00 43.42 41.15 3gbr n LEU 179 CO 0.11 0.59 0.12 0.35 -1.33 0.00 0.00 177.39 177.23 3gbr n THR 180 N 1.33 1.32 -1.69 -5.08 -2.24 -0.90 -4.95 114.28 102.07 3gbr n THR 180 Ca 0.16 -2.65 -0.44 0.00 -2.27 0.00 0.00 64.05 58.85 3gbr n THR 180 Cb 0.59 0.43 -0.04 0.00 -2.10 0.00 0.00 70.33 69.21 3gbr n THR 180 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3gbr n ASN 181 N -0.39 3.75 0.23 3.42 5.15 -1.26 -4.89 115.26 121.27 3gbr n ASN 181 Ca 0.16 1.02 0.07 0.00 -0.60 0.00 0.00 54.58 55.23 3gbr n ASN 181 Cb 0.92 -1.50 0.53 0.00 -0.53 0.00 0.00 39.78 39.20 3gbr n ASN 181 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3gbr h PRO 182 N 7.80 0.00 0.00 1.20 0.11 -1.94 -1.99 132.00 137.18 3gbr h PRO 182 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gbr h PRO 182 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3gbr h PRO 182 CO 0.94 0.23 0.00 0.00 -0.21 0.00 0.00 178.00 178.95 3gbr n ALA 183 N -2.38 2.39 -3.57 -0.75 0.00 -1.26 -3.25 120.51 111.69 3gbr n ALA 183 Ca -0.02 -0.13 -0.23 0.00 0.00 0.00 0.00 53.44 53.07 3gbr n ALA 183 Cb 0.31 -1.46 0.08 0.00 0.00 0.00 0.00 19.45 18.38 3gbr n ALA 183 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gbr n ASN 184 N -1.33 -5.57 -4.67 0.00 5.15 -0.75 -2.48 115.26 105.61 3gbr n ASN 184 Ca 0.12 -0.56 -0.46 0.00 -0.60 0.00 0.00 54.58 53.08 3gbr n ASN 184 Cb 0.25 -5.04 -0.04 0.00 -0.53 0.00 0.00 39.78 34.42 3gbr n ASN 184 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gbr n ALA 185 N -4.85 1.36 0.99 5.20 0.00 -1.26 -4.13 120.51 117.82 3gbr n ALA 185 Ca -0.05 0.40 0.12 0.00 0.00 0.00 0.00 53.44 53.92 3gbr n ALA 185 Cb 0.58 -2.41 0.34 0.00 0.00 0.00 0.00 19.45 17.96 3gbr n ALA 185 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gbr n LYS 186 N 4.32 0.00 -4.89 0.00 4.76 0.17 -4.72 118.16 117.80 3gbr n LYS 186 Ca 0.18 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.30 3gbr n LYS 186 Cb 0.30 -1.50 -0.15 0.00 -1.84 0.00 0.00 35.03 31.83 3gbr n LYS 186 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3gbr s TYR 187 N -3.00 2.75 -0.15 2.13 1.51 -1.24 -0.37 117.35 118.98 3gbr s TYR 187 Ca 0.12 -0.73 -0.07 0.00 -1.01 0.00 0.00 57.07 55.37 3gbr s TYR 187 Cb 0.18 -1.80 0.06 0.00 -0.11 0.00 0.00 41.96 40.28 3gbr s TYR 187 CO 0.66 -0.25 0.35 -1.14 -1.11 0.00 0.00 175.55 174.06 3gbr s GLN 188 N 0.32 0.31 -0.31 -0.62 2.00 -0.60 -1.93 119.66 118.82 3gbr s GLN 188 Ca -0.12 0.73 -0.11 0.00 -2.00 0.00 0.00 55.36 53.86 3gbr s GLN 188 Cb -0.16 -0.02 -0.02 0.00 0.80 0.00 0.00 33.01 33.61 3gbr s GLN 188 CO 0.06 -0.18 0.18 -1.17 -0.50 0.00 0.00 175.29 173.69 3gbr s LEU 189 N 1.56 4.21 -0.27 3.68 2.96 -0.04 -0.15 118.68 130.64 3gbr s LEU 189 Ca -0.08 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 3gbr s LEU 189 Cb -0.10 -2.06 0.03 0.00 0.50 0.00 0.00 46.19 44.56 3gbr s LEU 189 CO -0.11 -0.18 -0.03 -0.32 -1.32 0.00 0.00 176.35 174.38 3gbr s MET 190 N 1.67 2.76 0.11 1.98 -2.45 0.93 -0.95 119.30 123.35 3gbr s MET 190 Ca 0.05 -1.03 -0.28 0.00 -1.25 0.00 0.00 55.69 53.18 3gbr s MET 190 Cb -0.17 -3.07 -0.06 0.00 1.25 0.00 0.00 34.83 32.78 3gbr s MET 190 CO 0.08 -0.46 0.89 0.20 1.05 0.00 0.00 175.02 176.79 3gbr s GLY 191 N 1.32 2.96 -0.04 2.11 0.00 -0.10 -0.81 107.32 112.76 3gbr s GLY 191 Ca -0.01 0.48 0.02 0.00 0.00 0.00 0.00 44.72 45.22 3gbr s GLY 191 CO -0.03 1.28 -0.08 -1.34 0.00 0.00 0.00 173.10 172.93 3gbr s VAL 192 N -0.26 0.76 -1.30 1.40 -7.23 -0.46 -0.64 120.40 112.66 3gbr s VAL 192 Ca 0.43 -0.31 0.28 0.00 -1.81 0.00 0.00 61.98 60.57 3gbr s VAL 192 Cb -0.23 -0.70 0.28 0.00 0.56 0.00 0.00 36.38 36.29 3gbr s VAL 192 CO 0.28 0.25 1.76 2.22 -0.31 0.00 0.00 175.10 179.30 3gbr n PHE 193 N 3.57 0.00 -4.12 2.82 1.16 -1.26 -3.97 117.46 115.66 3gbr n PHE 193 Ca -0.21 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.18 3gbr n PHE 193 Cb 0.53 -0.29 -0.16 0.00 -1.61 0.00 0.00 39.48 37.95 3gbr n PHE 193 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 3gbr s SER 194 N -2.76 0.76 0.41 5.98 1.04 -1.26 -4.09 113.70 113.78 3gbr s SER 194 Ca 0.20 -0.10 0.23 0.00 0.48 0.00 0.00 55.95 56.76 3gbr s SER 194 Cb 0.19 -0.34 1.25 0.00 0.10 0.00 0.00 66.02 67.22 3gbr s SER 194 CO 0.55 -0.05 1.69 0.11 0.98 0.00 0.00 173.24 176.52 3gbr h LYS 195 N 7.01 0.24 -0.29 4.02 6.56 -1.96 -2.68 116.57 129.47 3gbr h LYS 195 Ca -0.38 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.16 3gbr h LYS 195 Cb 1.15 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.74 3gbr h LYS 195 CO 0.48 0.16 0.04 -0.44 -2.06 0.00 0.00 179.45 177.62 3gbr h ASP 196 N 0.24 0.38 0.38 0.86 3.32 -1.99 -2.40 116.42 117.22 3gbr h ASP 196 Ca 0.71 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.71 3gbr h ASP 196 Cb 2.01 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.46 3gbr h ASP 196 CO -0.39 0.42 -0.48 1.41 -1.72 0.00 0.00 179.24 178.48 3gbr n HIS 197 N -4.35 0.00 0.01 4.55 8.25 -1.01 -4.38 115.22 118.30 3gbr n HIS 197 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 3gbr n HIS 197 Cb 0.19 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 3gbr n HIS 197 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3gbr h LEU 198 N 0.35 -0.45 -0.29 2.41 6.46 -1.45 0.72 115.31 123.05 3gbr h LEU 198 Ca 0.00 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 3gbr h LEU 198 Cb 0.51 0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 3gbr h LEU 198 CO 0.00 -0.20 0.12 -0.78 -0.62 0.00 0.00 178.44 176.96 3gbr h ASP 199 N -0.20 0.40 -0.16 1.25 1.82 -1.76 -1.25 116.42 116.53 3gbr h ASP 199 Ca 0.08 -0.17 -0.01 0.00 -0.39 0.00 0.00 57.03 56.54 3gbr h ASP 199 Cb 0.32 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 3gbr h ASP 199 CO -0.21 0.46 0.06 0.25 -1.61 0.00 0.00 179.24 178.19 3gbr h LEU 200 N 0.32 0.22 -0.64 2.28 5.85 -1.67 -1.93 115.31 119.75 3gbr h LEU 200 Ca 0.10 -0.16 -0.15 0.00 0.84 0.00 0.00 57.88 58.51 3gbr h LEU 200 Cb 0.18 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3gbr h LEU 200 CO -0.01 0.32 -0.57 -0.07 -0.34 0.00 0.00 178.44 177.77 3gbr h LEU 201 N 0.10 0.36 -0.64 2.25 3.38 0.43 -2.09 115.31 119.10 3gbr h LEU 201 Ca 0.05 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 3gbr h LEU 201 Cb 0.17 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3gbr h LEU 201 CO -0.00 0.86 -0.32 0.77 0.09 0.00 0.00 178.44 179.83 3gbr h SER 202 N 0.24 0.74 0.06 -0.43 4.64 -1.15 0.26 113.55 117.91 3gbr h SER 202 Ca -0.00 -0.30 -0.13 0.00 -0.47 0.00 0.00 61.79 60.88 3gbr h SER 202 Cb 1.08 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.95 3gbr h SER 202 CO 0.09 1.00 -0.45 0.11 -0.87 0.00 0.00 176.83 176.72 3gbr h LYS 203 N 0.60 0.47 -0.07 4.77 1.57 -1.29 -1.40 116.57 121.23 3gbr h LYS 203 Ca 0.07 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 3gbr h LYS 203 Cb 0.84 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 3gbr h LYS 203 CO 0.07 0.83 0.02 0.77 -0.57 0.00 0.00 179.45 180.57 3gbr h SER 204 N 0.38 0.10 -0.85 0.86 0.02 -1.15 -3.22 113.55 109.69 3gbr h SER 204 Ca 0.03 -0.23 0.05 0.00 -0.84 0.00 0.00 61.79 60.79 3gbr h SER 204 Cb 0.94 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.40 3gbr h SER 204 CO 0.08 0.30 0.56 0.00 -1.14 0.00 0.00 176.83 176.64 3gbr h ALA 205 N 0.80 1.51 -0.34 3.77 0.00 -0.35 -2.03 119.26 122.61 3gbr h ALA 205 Ca 0.02 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3gbr h ALA 205 Cb 0.24 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3gbr h ALA 205 CO 0.00 0.39 0.24 -0.92 0.00 0.00 0.00 179.25 178.96 3gbr h TYR 206 N 1.02 0.09 -0.43 0.00 3.20 -1.26 -0.43 116.97 119.16 3gbr h TYR 206 Ca 0.35 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.22 3gbr h TYR 206 Cb 0.10 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.34 3gbr h TYR 206 CO -0.00 0.05 0.00 0.39 -1.64 0.00 0.00 178.16 176.96 3gbr n GLU 207 N -4.46 2.07 -0.36 1.82 1.02 -0.77 -4.37 120.64 115.60 3gbr n GLU 207 Ca 0.05 -1.66 0.07 0.00 -0.02 0.00 0.00 57.16 55.60 3gbr n GLU 207 Cb 0.35 -1.38 0.20 0.00 -0.02 0.00 0.00 31.44 30.59 3gbr n GLU 207 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gbr n LEU 208 N 0.85 3.19 -3.21 -4.62 4.77 -0.17 -5.02 117.00 112.80 3gbr n LEU 208 Ca 0.16 -3.24 -0.17 0.00 -0.03 0.00 0.00 56.01 52.74 3gbr n LEU 208 Cb 0.40 -0.51 0.08 0.00 -2.33 0.00 0.00 43.42 41.06 3gbr n LEU 208 CO 0.11 0.84 0.13 -0.67 -1.33 0.00 0.00 177.39 176.47 3gbr n ASP 209 N -1.03 -3.06 -4.89 -1.43 2.03 -1.25 -5.02 116.55 101.91 3gbr n ASP 209 Ca 0.21 -0.54 -0.32 0.00 0.52 0.00 0.00 54.79 54.66 3gbr n ASP 209 Cb 0.79 -4.63 -0.05 0.00 -0.72 0.00 0.00 41.12 36.51 3gbr n ASP 209 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3gbr s PHE 210 N -3.31 3.46 -0.05 -0.67 0.40 -1.26 -4.92 117.98 111.62 3gbr s PHE 210 Ca 0.14 0.65 -0.26 0.00 -0.60 0.00 0.00 56.93 56.86 3gbr s PHE 210 Cb -0.06 -2.08 -0.21 0.00 0.51 0.00 0.00 43.02 41.17 3gbr s PHE 210 CO 0.66 0.38 1.14 -0.91 0.70 0.00 0.00 175.22 177.19 3gbr h ASN 211 N 2.74 0.06 -2.59 1.36 2.35 -1.05 -3.43 115.58 115.01 3gbr h ASN 211 Ca -0.46 -0.63 -0.20 0.00 -0.55 0.00 0.00 56.30 54.45 3gbr h ASN 211 Cb 1.17 -0.02 -0.32 0.00 0.05 0.00 0.00 38.32 39.20 3gbr h ASN 211 CO 0.72 0.68 -0.51 -0.75 -1.65 0.00 0.00 177.43 175.91 3gbr s LYS 212 N -3.70 0.21 -0.17 0.81 2.20 -0.66 -4.40 119.74 114.04 3gbr s LYS 212 Ca -0.16 0.66 -0.01 0.00 -0.36 0.00 0.00 55.97 56.10 3gbr s LYS 212 Cb 0.01 -0.26 -0.00 0.00 -1.51 0.00 0.00 37.83 36.07 3gbr s LYS 212 CO 0.69 -0.40 -0.13 -1.50 -0.36 0.00 0.00 175.35 173.65 3gbr s ILE 213 N 2.45 2.84 -0.28 5.43 2.07 -0.94 -1.56 121.20 131.21 3gbr s ILE 213 Ca 0.04 -0.70 -0.08 0.00 -1.41 0.00 0.00 60.65 58.49 3gbr s ILE 213 Cb -0.13 -2.22 -0.02 0.00 0.13 0.00 0.00 42.46 40.22 3gbr s ILE 213 CO -0.11 0.50 0.11 -0.63 -1.91 0.00 0.00 174.94 172.90 3gbr s ILE 214 N 0.93 4.44 -0.10 2.00 1.01 0.79 -1.22 121.20 129.04 3gbr s ILE 214 Ca -0.03 -0.34 -0.15 0.00 0.00 0.00 0.00 60.65 60.14 3gbr s ILE 214 Cb -0.15 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.09 3gbr s ILE 214 CO -0.01 0.18 0.37 -0.76 0.00 0.00 0.00 174.94 174.72 3gbr s LEU 215 N 1.61 4.33 -0.03 2.97 1.02 0.15 -0.05 118.68 128.67 3gbr s LEU 215 Ca 0.05 0.72 0.01 0.00 0.02 0.00 0.00 54.13 54.94 3gbr s LEU 215 Cb -0.16 -2.51 0.01 0.00 0.02 0.00 0.00 46.19 43.55 3gbr s LEU 215 CO 0.05 0.15 -0.05 0.68 0.02 0.00 0.00 176.35 177.20 3gbr s VAL 216 N -0.02 0.53 -0.12 -1.59 -7.23 0.01 -0.60 120.40 111.38 3gbr s VAL 216 Ca 0.21 -0.18 0.01 0.00 -1.81 0.00 0.00 61.98 60.22 3gbr s VAL 216 Cb -0.15 -0.51 -0.01 0.00 0.56 0.00 0.00 36.38 36.27 3gbr s VAL 216 CO 0.08 0.20 -0.16 -0.47 -0.31 0.00 0.00 175.10 174.44 3gbr s TYR 217 N 0.53 2.73 -0.14 2.82 5.04 0.92 -1.36 117.35 127.91 3gbr s TYR 217 Ca -0.07 -0.74 0.01 0.00 -2.44 0.00 0.00 57.07 53.83 3gbr s TYR 217 Cb -0.10 -1.80 -0.00 0.00 0.35 0.00 0.00 41.96 40.40 3gbr s TYR 217 CO 0.00 -0.26 -0.17 0.20 -1.34 0.00 0.00 175.55 173.99 3gbr s GLY 218 N 0.31 1.46 0.50 8.97 0.00 -0.62 -0.72 107.32 117.22 3gbr s GLY 218 Ca -0.13 -0.99 -0.23 0.00 0.00 0.00 0.00 44.72 43.38 3gbr s GLY 218 CO 0.06 -0.10 1.25 1.18 0.00 0.00 0.00 173.10 175.50 3gbr n GLU 219 N 3.81 1.65 0.01 2.90 1.02 -0.92 -0.54 120.64 128.57 3gbr n GLU 219 Ca -0.19 0.60 0.13 0.00 -0.02 0.00 0.00 57.16 57.69 3gbr n GLU 219 Cb 0.52 -2.43 0.50 0.00 -0.02 0.00 0.00 31.44 30.02 3gbr n GLU 219 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3gbr n PRO 220 N -0.58 0.03 0.00 3.49 -0.04 -1.26 -4.25 135.00 132.39 3gbr n PRO 220 Ca 0.09 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 3gbr n PRO 220 Cb 0.43 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 3gbr n PRO 220 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gbr n GLY 221 N 1.48 -0.91 3.30 0.55 0.00 -0.76 -5.15 105.19 103.71 3gbr n GLY 221 Ca 0.06 0.29 -0.16 0.00 0.00 0.00 0.00 46.02 46.22 3gbr n GLY 221 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gbr s ILE 222 N 0.00 1.24 -0.31 -0.61 -4.36 0.30 -4.47 121.20 112.99 3gbr s ILE 222 Ca 0.00 -2.08 -0.01 0.00 -0.26 0.00 0.00 60.65 58.30 3gbr s ILE 222 Cb 0.00 -2.05 0.23 0.00 1.25 0.00 0.00 42.46 41.89 3gbr s ILE 222 CO 0.00 -0.58 1.94 -0.90 0.24 0.00 0.00 174.94 175.64 3gbr n ASP 223 N -0.31 6.06 -4.15 4.36 5.75 -1.26 -1.59 116.55 125.41 3gbr n ASP 223 Ca -0.08 -3.03 -0.12 0.00 -0.01 0.00 0.00 54.79 51.55 3gbr n ASP 223 Cb 0.62 -1.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.61 3gbr n ASP 223 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3gbr s GLU 224 N -1.80 1.24 0.22 0.11 0.41 -1.26 -4.07 118.70 113.55 3gbr s GLU 224 Ca 0.31 -1.63 -0.31 0.00 -0.41 0.00 0.00 54.97 52.93 3gbr s GLU 224 Cb 0.24 0.28 -0.10 0.00 -1.78 0.00 0.00 34.13 32.77 3gbr s GLU 224 CO 0.00 -0.41 1.49 0.08 -0.49 0.00 0.00 175.26 175.93 3gbr s VAL 225 N -4.12 2.64 -0.02 2.63 1.01 -1.26 -1.88 120.40 119.39 3gbr s VAL 225 Ca 0.38 0.50 -0.30 0.00 0.00 0.00 0.00 61.98 62.57 3gbr s VAL 225 Cb 0.06 -3.32 -0.07 0.00 0.00 0.00 0.00 36.38 33.05 3gbr s VAL 225 CO 0.13 0.07 1.79 -0.55 0.00 0.00 0.00 175.10 176.53 3gbr s SER 226 N 0.65 6.56 0.39 3.32 0.15 -1.26 -4.89 113.70 118.62 3gbr s SER 226 Ca 0.63 2.40 0.26 0.00 0.70 0.00 0.00 55.95 59.94 3gbr s SER 226 Cb -0.43 -2.53 0.69 0.00 -1.71 0.00 0.00 66.02 62.04 3gbr s SER 226 CO 0.39 -1.00 1.73 1.55 1.20 0.00 0.00 173.24 177.11 3gbr h PRO 227 N 10.06 0.00 0.00 5.44 0.13 -1.91 -3.36 132.00 142.35 3gbr h PRO 227 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3gbr h PRO 227 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3gbr h PRO 227 CO 0.95 0.00 -1.36 0.44 -0.23 0.00 0.00 178.00 177.80 3gbr n ILE 228 N -2.83 0.00 0.00 -3.56 -5.35 -1.26 -0.55 119.36 105.81 3gbr n ILE 228 Ca 0.04 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 3gbr n ILE 228 Cb 0.44 0.33 0.00 0.00 -1.74 0.00 0.00 39.64 38.68 3gbr n ILE 228 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gbr n GLY 229 N 1.93 2.78 3.76 3.28 0.00 -1.26 -4.71 105.19 110.97 3gbr n GLY 229 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3gbr n GLY 229 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gbr s ASN 230 N 2.00 7.27 -0.13 1.61 0.01 -1.26 -1.91 114.94 122.52 3gbr s ASN 230 Ca 0.00 2.16 0.01 0.00 -0.71 0.00 0.00 52.86 54.31 3gbr s ASN 230 Cb 0.00 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 3gbr s ASN 230 CO 0.00 -0.13 -0.16 -0.89 -1.51 0.00 0.00 177.10 174.41 3gbr s THR 231 N -1.25 2.77 -0.16 1.60 2.01 0.26 -2.17 115.64 118.70 3gbr s THR 231 Ca 0.46 -0.75 -0.06 0.00 0.31 0.00 0.00 61.69 61.64 3gbr s THR 231 Cb -0.29 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 3gbr s THR 231 CO 0.37 0.53 0.04 -0.36 -0.69 0.00 0.00 174.62 174.50 3gbr s PHE 232 N 0.47 3.21 0.05 4.92 0.40 0.10 -1.51 117.98 125.63 3gbr s PHE 232 Ca -0.11 0.03 -0.03 0.00 -0.60 0.00 0.00 56.93 56.22 3gbr s PHE 232 Cb -0.16 -2.01 -0.02 0.00 0.51 0.00 0.00 43.02 41.33 3gbr s PHE 232 CO 0.05 0.18 0.04 0.00 0.70 0.00 0.00 175.22 176.19 3gbr s MET 233 N 0.15 0.60 -0.13 0.44 0.23 -0.87 -0.05 119.30 119.67 3gbr s MET 233 Ca 0.03 -0.97 0.02 0.00 -1.03 0.00 0.00 55.69 53.75 3gbr s MET 233 Cb -0.13 0.22 0.01 0.00 -1.53 0.00 0.00 34.83 33.41 3gbr s MET 233 CO 0.01 -0.14 -0.19 0.15 -2.03 0.00 0.00 175.02 172.83 3gbr s LYS 234 N -3.22 2.63 -0.32 3.16 -0.14 0.23 -2.48 119.74 119.62 3gbr s LYS 234 Ca 0.00 -0.71 -0.14 0.00 -1.36 0.00 0.00 55.97 53.76 3gbr s LYS 234 Cb 0.03 -2.19 -0.02 0.00 -1.68 0.00 0.00 37.83 33.96 3gbr s LYS 234 CO -0.07 -0.06 0.31 0.42 -0.76 0.00 0.00 175.35 175.18 3gbr s ILE 235 N 0.96 5.22 -0.09 2.17 1.01 -0.10 -0.67 121.20 129.69 3gbr s ILE 235 Ca -0.05 0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.71 3gbr s ILE 235 Cb -0.15 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 3gbr s ILE 235 CO -0.03 0.03 -0.11 -0.69 0.00 0.00 0.00 174.94 174.14 3gbr s VAL 236 N 1.92 3.28 0.24 2.92 1.01 -0.36 -0.28 120.40 129.14 3gbr s VAL 236 Ca 0.10 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 3gbr s VAL 236 Cb -0.16 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 33.90 3gbr s VAL 236 CO 0.11 0.56 0.46 -1.54 0.00 0.00 0.00 175.10 174.68 3gbr n SER 237 N 2.88 -1.33 0.21 3.32 3.41 -0.39 -2.22 113.62 119.50 3gbr n SER 237 Ca -0.18 -2.03 0.08 0.00 -0.26 0.00 0.00 58.87 56.48 3gbr n SER 237 Cb 0.53 2.24 0.61 0.00 -0.26 0.00 0.00 64.21 67.33 3gbr n SER 237 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3gbr h LYS 238 N 0.00 0.08 0.00 4.33 1.57 -1.83 -2.17 116.57 118.55 3gbr h LYS 238 Ca -0.20 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 3gbr h LYS 238 Cb 0.77 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 3gbr h LYS 238 CO 0.26 0.05 -0.11 0.00 -0.57 0.00 0.00 179.45 179.08 3gbr h ARG 239 N 0.08 0.00 0.00 3.15 3.08 -1.95 -3.49 114.38 115.25 3gbr h ARG 239 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3gbr h ARG 239 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3gbr h ARG 239 CO -0.01 0.11 0.00 0.41 -1.07 0.00 0.00 179.97 179.42 3gbr n GLY 240 N -0.33 0.72 3.16 0.04 0.00 -0.82 -5.06 105.19 102.91 3gbr n GLY 240 Ca -0.01 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 3gbr n GLY 240 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gbr s ILE 241 N -2.49 2.31 -0.14 -0.61 1.01 -1.26 -1.26 121.20 118.76 3gbr s ILE 241 Ca 0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 3gbr s ILE 241 Cb 0.00 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 3gbr s ILE 241 CO 0.00 0.52 -0.06 -0.70 0.00 0.00 0.00 174.94 174.70 3gbr s GLU 242 N 1.26 3.48 0.10 2.79 2.12 0.62 -4.95 118.70 124.12 3gbr s GLU 242 Ca 0.04 -0.56 -0.19 0.00 0.36 0.00 0.00 54.97 54.62 3gbr s GLU 242 Cb -0.14 -2.81 -0.07 0.00 0.26 0.00 0.00 34.13 31.38 3gbr s GLU 242 CO -0.10 0.30 0.60 -2.00 -0.54 0.00 0.00 175.26 173.52 3gbr s GLU 243 N 0.18 4.22 -0.12 4.30 2.56 -1.26 -0.93 118.70 127.64 3gbr s GLU 243 Ca -0.03 0.76 -0.06 0.00 0.00 0.00 0.00 54.97 55.64 3gbr s GLU 243 Cb -0.14 -3.18 0.05 0.00 2.00 0.00 0.00 34.13 32.86 3gbr s GLU 243 CO 0.03 0.60 0.29 0.08 -0.56 0.00 0.00 175.26 175.70 3gbr s VAL 244 N -1.19 -0.04 -0.10 3.70 1.01 -1.03 -4.96 120.40 117.78 3gbr s VAL 244 Ca 0.32 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.43 3gbr s VAL 244 Cb -0.19 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 3gbr s VAL 244 CO 0.20 0.06 -0.09 -0.75 0.00 0.00 0.00 175.10 174.52 3gbr s LYS 245 N 1.32 3.10 -0.17 2.72 2.20 -1.26 -2.04 119.74 125.61 3gbr s LYS 245 Ca -0.09 -0.60 -0.04 0.00 -0.36 0.00 0.00 55.97 54.87 3gbr s LYS 245 Cb -0.10 -2.65 0.08 0.00 -1.51 0.00 0.00 37.83 33.66 3gbr s LYS 245 CO -0.10 0.44 0.29 -1.17 -0.36 0.00 0.00 175.35 174.45 3gbr s LEU 246 N -0.21 -0.35 0.49 5.43 2.96 -0.57 -5.00 118.68 121.43 3gbr s LEU 246 Ca 0.02 0.41 -0.08 0.00 -0.22 0.00 0.00 54.13 54.25 3gbr s LEU 246 Cb -0.13 0.77 -0.05 0.00 0.50 0.00 0.00 46.19 47.28 3gbr s LEU 246 CO 0.03 -0.27 0.84 0.21 -1.32 0.00 0.00 176.35 175.84 3gbr s ASN 247 N 2.44 6.35 0.48 3.68 2.47 -1.26 0.92 114.94 130.02 3gbr s ASN 247 Ca 0.04 1.12 0.21 0.00 0.42 0.00 0.00 52.86 54.65 3gbr s ASN 247 Cb -0.13 -2.33 1.22 0.00 -1.45 0.00 0.00 41.25 38.56 3gbr s ASN 247 CO -0.11 -0.59 2.02 1.62 -3.72 0.00 0.00 177.10 176.32 3gbr h VAL 248 N 0.40 0.83 0.00 -5.21 3.04 -1.63 -1.88 116.25 111.80 3gbr h VAL 248 Ca -0.46 -0.65 -0.01 0.00 -1.01 0.00 0.00 66.70 64.56 3gbr h VAL 248 Cb 1.20 1.39 -0.00 0.00 -2.01 0.00 0.00 31.29 31.86 3gbr h VAL 248 CO 0.62 0.17 -0.07 0.71 -1.01 0.00 0.00 177.57 177.99 3gbr h THR 249 N 0.00 0.51 0.00 3.17 1.35 -1.88 -2.51 112.91 113.55 3gbr h THR 249 Ca -0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3gbr h THR 249 Cb 0.37 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 3gbr h THR 249 CO 0.02 0.07 0.00 0.44 -0.25 0.00 0.00 175.52 175.80 3gbr h ASP 250 N 0.00 0.00 0.16 5.36 3.32 -1.62 -0.67 116.42 122.97 3gbr h ASP 250 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gbr h ASP 250 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3gbr h ASP 250 CO 0.01 0.00 -0.01 0.49 -1.72 0.00 0.00 179.24 178.01 3gbr n PHE 251 N -3.04 0.00 -2.42 4.55 3.72 -0.94 -4.18 117.46 115.15 3gbr n PHE 251 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3gbr n PHE 251 Cb 0.26 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 3gbr n PHE 251 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gbr n GLY 252 N 1.11 0.90 3.32 1.37 0.00 -0.26 -4.82 105.19 106.81 3gbr n GLY 252 Ca 0.20 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 3gbr n GLY 252 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gbr s ILE 253 N -2.88 0.06 0.46 -0.61 -4.36 -1.25 -5.07 121.20 107.55 3gbr s ILE 253 Ca 0.00 -1.54 -0.01 0.00 -0.26 0.00 0.00 60.65 58.84 3gbr s ILE 253 Cb 0.00 -1.98 -0.01 0.00 1.25 0.00 0.00 42.46 41.72 3gbr s ILE 253 CO 0.00 -0.27 0.70 -0.94 0.24 0.00 0.00 174.94 174.67 3gbr s SER 254 N -3.01 5.93 0.21 4.36 1.04 -1.26 -3.52 113.70 117.46 3gbr s SER 254 Ca 0.21 0.46 -0.30 0.00 0.48 0.00 0.00 55.95 56.80 3gbr s SER 254 Cb 0.04 -1.74 -0.16 0.00 0.10 0.00 0.00 66.02 64.26 3gbr s SER 254 CO 0.02 -0.67 0.84 -2.65 0.98 0.00 0.00 173.24 171.76 3gbr n PRO 255 N -2.13 0.65 -3.50 4.02 -0.02 -1.26 -4.93 135.00 127.83 3gbr n PRO 255 Ca 0.01 0.23 -0.38 0.00 -2.02 0.00 0.00 63.50 61.34 3gbr n PRO 255 Cb 0.57 -1.48 -0.09 0.00 -0.02 0.00 0.00 33.50 32.48 3gbr n PRO 255 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gbr s ILE 256 N -0.79 5.26 -0.04 4.25 1.01 0.29 -4.99 121.20 126.19 3gbr s ILE 256 Ca 0.66 0.45 -0.33 0.00 0.00 0.00 0.00 60.65 61.44 3gbr s ILE 256 Cb -0.87 -3.63 -0.11 0.00 0.01 0.00 0.00 42.46 37.87 3gbr s ILE 256 CO 0.57 0.27 1.90 -0.81 0.00 0.00 0.00 174.94 176.87 3gbr n PRO 257 N 4.61 2.42 -0.07 2.79 -0.04 -1.26 -4.52 135.00 138.93 3gbr n PRO 257 Ca -0.11 0.89 0.03 0.00 -0.04 0.00 0.00 63.50 64.26 3gbr n PRO 257 Cb 0.51 -2.77 0.37 0.00 -0.04 0.00 0.00 33.50 31.58 3gbr n PRO 257 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3gbr h ILE 258 N 5.44 1.13 -0.45 0.52 6.09 -1.95 -2.41 117.51 125.87 3gbr h ILE 258 Ca -0.49 -0.24 0.06 0.00 -1.37 0.00 0.00 64.86 62.82 3gbr h ILE 258 Cb 1.26 0.37 -0.03 0.00 0.47 0.00 0.00 36.82 38.90 3gbr h ILE 258 CO 0.94 0.13 0.31 1.05 -3.07 0.00 0.00 178.15 177.51 3gbr h GLU 259 N 0.70 0.35 0.00 2.19 9.09 -1.97 -0.67 114.58 124.27 3gbr h GLU 259 Ca 0.19 -0.02 -0.02 0.00 0.05 0.00 0.00 59.36 59.56 3gbr h GLU 259 Cb -0.07 -0.08 -0.00 0.00 -1.65 0.00 0.00 28.75 26.95 3gbr h GLU 259 CO -0.04 0.23 -0.10 0.87 0.05 0.00 0.00 179.01 180.02 3gbr h LYS 260 N 0.36 0.00 -0.01 1.06 1.79 -1.81 -2.90 116.57 115.06 3gbr h LYS 260 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 3gbr h LYS 260 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 3gbr h LYS 260 CO -0.05 0.10 -0.36 1.28 -1.08 0.00 0.00 179.45 179.35 3gbr n LEU 261 N -3.37 1.17 -4.86 2.94 4.77 -0.26 -4.78 117.00 112.62 3gbr n LEU 261 Ca -0.01 -0.34 -0.35 0.00 -0.03 0.00 0.00 56.01 55.28 3gbr n LEU 261 Cb 0.28 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 3gbr n LEU 261 CO 0.29 0.23 0.16 -0.63 -1.33 0.00 0.00 177.39 176.11 3gbr s ILE 262 N -2.57 4.97 0.08 -0.08 1.01 -1.10 0.57 121.20 124.08 3gbr s ILE 262 Ca 0.21 0.62 0.05 0.00 0.00 0.00 0.00 60.65 61.53 3gbr s ILE 262 Cb 0.19 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 3gbr s ILE 262 CO 0.56 0.22 -0.13 -0.69 0.00 0.00 0.00 174.94 174.90 3gbr s VAL 263 N -1.48 1.05 -0.09 2.92 1.01 0.59 -4.78 120.40 119.63 3gbr s VAL 263 Ca 0.37 -1.35 0.01 0.00 0.00 0.00 0.00 61.98 61.00 3gbr s VAL 263 Cb -0.14 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.15 3gbr s VAL 263 CO 0.19 -0.29 0.35 -0.46 0.00 0.00 0.00 175.10 174.89 3gbr n ASN 264 N 1.15 0.71 -3.84 3.32 0.23 -1.26 -4.79 115.26 110.78 3gbr n ASN 264 Ca -0.20 -0.85 -0.08 0.00 -0.53 0.00 0.00 54.58 52.91 3gbr n ASN 264 Cb 0.55 0.36 -0.03 0.00 -2.08 0.00 0.00 39.78 38.57 3gbr n ASN 264 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3gbr s SER 265 N -0.44 -0.23 0.22 0.53 1.04 -1.26 -4.96 113.70 108.60 3gbr s SER 265 Ca 0.01 -0.63 -0.06 0.00 0.48 0.00 0.00 55.95 55.75 3gbr s SER 265 Cb 0.01 0.65 0.18 0.00 0.10 0.00 0.00 66.02 66.96 3gbr s SER 265 CO 0.02 -1.20 1.70 0.00 0.98 0.00 0.00 173.24 174.74 3gbr h ALA 266 N 2.12 0.96 -0.46 5.32 0.00 -1.92 -1.76 119.26 123.52 3gbr h ALA 266 Ca -0.24 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 3gbr h ALA 266 Cb 1.26 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3gbr h ALA 266 CO 0.31 0.64 -0.07 1.49 0.00 0.00 0.00 179.25 181.61 3gbr h GLU 267 N 0.91 0.80 -0.46 0.00 4.81 -1.94 -0.50 114.58 118.21 3gbr h GLU 267 Ca 0.17 -0.25 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 3gbr h GLU 267 Cb 0.49 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3gbr h GLU 267 CO 0.02 0.85 -0.17 0.22 -0.73 0.00 0.00 179.01 179.20 3gbr h ASP 268 N 0.73 0.88 -0.63 1.04 3.58 -1.89 0.13 116.42 120.26 3gbr h ASP 268 Ca 0.13 -0.30 -0.05 0.00 0.42 0.00 0.00 57.03 57.23 3gbr h ASP 268 Cb 0.54 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 3gbr h ASP 268 CO 0.03 1.04 0.21 -1.28 -2.88 0.00 0.00 179.24 176.36 3gbr h SER 269 N 0.77 0.93 -0.22 2.28 0.87 -1.07 -2.06 113.55 115.05 3gbr h SER 269 Ca 0.11 -0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 60.45 3gbr h SER 269 Cb 0.70 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 3gbr h SER 269 CO 0.05 0.87 -0.13 0.00 -0.53 0.00 0.00 176.83 177.09 3gbr h ALA 270 N 1.26 0.31 -0.44 6.23 0.00 -0.64 -2.37 119.26 123.60 3gbr h ALA 270 Ca 0.22 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3gbr h ALA 270 Cb 0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3gbr h ALA 270 CO -0.01 0.18 0.25 0.82 0.00 0.00 0.00 179.25 180.49 3gbr h ILE 271 N 0.17 1.15 -0.93 0.00 2.04 -0.74 -1.12 117.51 118.07 3gbr h ILE 271 Ca 0.04 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.54 3gbr h ILE 271 Cb 0.64 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 3gbr h ILE 271 CO 0.04 0.16 0.62 0.11 0.00 0.00 0.00 178.15 179.07 3gbr h LYS 272 N 0.59 1.22 0.09 2.37 1.57 -1.39 0.15 116.57 121.16 3gbr h LYS 272 Ca 0.16 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3gbr h LYS 272 Cb 0.03 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.07 3gbr h LYS 272 CO -0.03 0.81 -0.04 0.82 -0.57 0.00 0.00 179.45 180.44 3gbr h ILE 273 N 1.26 1.08 -0.14 1.86 2.04 -1.19 -1.35 117.51 121.08 3gbr h ILE 273 Ca 0.35 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.55 3gbr h ILE 273 Cb -0.13 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3gbr h ILE 273 CO -0.08 0.16 0.05 0.58 0.00 0.00 0.00 178.15 178.87 3gbr h VAL 274 N -0.43 0.98 -0.73 1.67 2.07 -1.10 -1.69 116.25 117.02 3gbr h VAL 274 Ca -0.01 -0.04 0.14 0.00 0.82 0.00 0.00 66.70 67.60 3gbr h VAL 274 Cb 0.36 0.84 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 3gbr h VAL 274 CO 0.02 0.02 0.26 0.03 0.02 0.00 0.00 177.57 177.93 3gbr h ARG 275 N 0.12 0.39 -1.01 1.57 3.08 -0.71 -0.36 114.38 117.46 3gbr h ARG 275 Ca 0.06 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.12 3gbr h ARG 275 Cb 0.02 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 29.93 3gbr h ARG 275 CO -0.05 0.26 0.66 0.00 -1.07 0.00 0.00 179.97 179.76 3gbr h ALA 276 N 1.54 1.35 -0.35 0.04 0.00 -0.62 0.18 119.26 121.39 3gbr h ALA 276 Ca 0.40 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.11 3gbr h ALA 276 Cb 0.61 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3gbr h ALA 276 CO -0.41 0.54 -0.40 0.74 0.00 0.00 0.00 179.25 179.72 3gbr h PHE 277 N 1.26 1.04 0.00 0.00 0.05 -0.27 -2.74 116.94 116.28 3gbr h PHE 277 Ca 0.41 -0.31 0.00 0.00 3.82 0.00 0.00 57.97 61.88 3gbr h PHE 277 Cb 0.03 -0.22 0.00 0.00 2.00 0.00 0.00 35.95 37.76 3gbr h PHE 277 CO -0.00 1.12 0.00 1.28 -0.18 0.00 0.00 178.31 180.53 3gbr n LEU 278 N -4.05 0.39 0.00 1.54 4.77 -0.29 -4.75 117.00 114.62 3gbr n LEU 278 Ca -0.02 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 3gbr n LEU 278 Cb 0.55 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3gbr n LEU 278 CO 0.48 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 3gbr n GLY 279 N -0.02 0.69 0.30 -0.72 0.00 -0.49 -4.98 105.19 99.97 3gbr n GLY 279 Ca 0.03 -0.72 0.06 0.00 0.00 0.00 0.00 46.02 45.38 3gbr n GLY 279 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gbr n LYS 280 N -1.05 1.75 -3.43 1.61 5.02 0.51 -4.75 118.16 117.83 3gbr n LYS 280 Ca 0.00 -0.75 -0.28 0.00 -2.02 0.00 0.00 58.31 55.26 3gbr n LYS 280 Cb 0.39 -1.15 -0.11 0.00 -0.02 0.00 0.00 35.03 34.15 3gbr n LYS 280 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3gbr s ASP 281 N -1.40 1.90 0.46 4.39 3.68 -1.21 -4.88 116.67 119.61 3gbr s ASP 281 Ca 0.10 -2.89 0.19 0.00 2.13 0.00 0.00 52.55 52.09 3gbr s ASP 281 Cb 0.09 -0.47 1.13 0.00 -1.45 0.00 0.00 42.92 42.23 3gbr s ASP 281 CO 0.26 -0.20 1.99 -0.08 0.13 0.00 0.00 175.17 177.28 3gbr h GLU 282 N 5.96 0.00 -0.09 4.34 4.22 -1.91 -1.39 114.58 125.70 3gbr h GLU 282 Ca 0.21 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.55 3gbr h GLU 282 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3gbr h GLU 282 CO 0.36 0.19 -0.36 0.45 -2.18 0.00 0.00 179.01 177.47 3gbr h HIS 283 N 0.00 0.54 -0.62 0.92 3.86 -1.97 -0.49 115.15 117.38 3gbr h HIS 283 Ca -0.00 -0.23 0.02 0.00 -1.16 0.00 0.00 60.37 59.00 3gbr h HIS 283 Cb 0.39 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.74 3gbr h HIS 283 CO 0.00 0.97 0.40 0.28 0.86 0.00 0.00 177.93 180.43 3gbr h VAL 284 N -0.04 1.12 -0.30 2.45 2.07 -1.81 -1.46 116.25 118.28 3gbr h VAL 284 Ca -0.02 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.29 3gbr h VAL 284 Cb 0.99 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 3gbr h VAL 284 CO 0.08 0.15 -0.14 0.00 0.02 0.00 0.00 177.57 177.67 3gbr h ALA 285 N 1.25 0.09 -0.60 1.67 0.00 -1.16 -0.44 119.26 120.07 3gbr h ALA 285 Ca 0.24 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 3gbr h ALA 285 Cb -0.03 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3gbr h ALA 285 CO -0.08 -0.54 0.37 0.93 0.00 0.00 0.00 179.25 179.93 3gbr h GLU 286 N -0.10 0.81 -0.14 0.00 5.08 -0.78 0.29 114.58 119.73 3gbr h GLU 286 Ca 0.15 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3gbr h GLU 286 Cb 0.34 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3gbr h GLU 286 CO -0.36 0.56 -0.02 0.35 -1.00 0.00 0.00 179.01 178.54 3gbr h PHE 287 N 0.83 0.29 -0.63 4.33 3.57 -0.69 -1.81 116.94 122.82 3gbr h PHE 287 Ca 0.22 -0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.73 3gbr h PHE 287 Cb -0.04 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.57 3gbr h PHE 287 CO 0.00 0.52 0.32 0.82 -2.23 0.00 0.00 178.31 177.74 3gbr h ILE 288 N -0.03 0.91 -0.29 1.41 2.04 -0.76 -3.03 117.51 117.76 3gbr h ILE 288 Ca 0.04 -0.20 -0.17 0.00 1.00 0.00 0.00 64.86 65.53 3gbr h ILE 288 Cb 0.42 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3gbr h ILE 288 CO 0.01 0.11 -0.49 0.11 0.00 0.00 0.00 178.15 177.89 3gbr h LYS 289 N 0.58 0.80 -0.29 2.37 1.57 -0.76 -0.39 116.57 120.44 3gbr h LYS 289 Ca 0.29 -0.47 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 3gbr h LYS 289 Cb 0.24 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3gbr h LYS 289 CO -0.21 1.10 -0.15 -0.84 -0.57 0.00 0.00 179.45 178.78 3gbr h ILE 290 N 0.63 1.24 -0.09 1.86 3.07 -1.33 0.94 117.51 123.83 3gbr h ILE 290 Ca 0.03 -1.07 -0.16 0.00 1.55 0.00 0.00 64.86 65.21 3gbr h ILE 290 Cb 1.07 1.18 0.01 0.00 -0.27 0.00 0.00 36.82 38.80 3gbr h ILE 290 CO 0.11 0.35 -0.57 0.78 -1.05 0.00 0.00 178.15 177.76 3gbr h ASN 291 N 0.47 0.66 -0.57 2.16 2.35 -1.38 -3.05 115.58 116.22 3gbr h ASN 291 Ca 0.08 -0.66 0.03 0.00 -0.55 0.00 0.00 56.30 55.20 3gbr h ASN 291 Cb 0.53 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.67 3gbr h ASN 291 CO 0.03 1.22 0.33 0.74 -1.65 0.00 0.00 177.43 178.10 3gbr h THR 292 N 0.14 1.04 -0.91 2.81 2.02 -0.98 -2.14 112.91 114.90 3gbr h THR 292 Ca -0.05 -0.22 0.20 0.00 0.77 0.00 0.00 66.41 67.11 3gbr h THR 292 Cb 1.23 0.33 -0.11 0.00 -1.74 0.00 0.00 68.15 67.85 3gbr h THR 292 CO 0.12 0.12 0.46 0.00 0.37 0.00 0.00 175.52 176.59 3gbr h ALA 293 N 1.26 1.48 -0.12 6.16 0.00 -0.79 0.35 119.26 127.59 3gbr h ALA 293 Ca 0.23 0.13 -0.19 0.00 0.00 0.00 0.00 54.91 55.08 3gbr h ALA 293 Cb 0.05 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3gbr h ALA 293 CO -0.11 -0.24 -0.70 0.28 0.00 0.00 0.00 179.25 178.48 3gbr h VAL 294 N 0.52 1.34 0.17 0.00 2.07 -1.35 -2.22 116.25 116.78 3gbr h VAL 294 Ca 0.55 -2.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.04 3gbr h VAL 294 Cb 0.97 2.01 -0.00 0.00 -1.52 0.00 0.00 31.29 32.74 3gbr h VAL 294 CO -0.46 0.62 -0.09 0.00 0.02 0.00 0.00 177.57 177.65 3gbr h ALA 295 N 0.86 -0.25 -0.87 1.67 0.00 -0.36 -2.20 119.26 118.11 3gbr h ALA 295 Ca -0.03 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.01 3gbr h ALA 295 Cb 1.28 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 19.07 3gbr h ALA 295 CO 0.13 -0.64 0.42 -0.07 0.00 0.00 0.00 179.25 179.09 3gbr h LEU 296 N -0.25 0.45 -0.92 0.00 4.07 -0.34 -0.69 115.31 117.63 3gbr h LEU 296 Ca -0.02 0.12 -0.06 0.00 0.08 0.00 0.00 57.88 58.00 3gbr h LEU 296 Cb 0.20 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.98 3gbr h LEU 296 CO 0.03 0.13 0.10 0.15 -1.08 0.00 0.00 178.44 177.77 3gbr h PHE 297 N 0.53 0.94 -0.43 1.13 3.57 -1.19 -0.43 116.94 121.06 3gbr h PHE 297 Ca 0.50 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.87 3gbr h PHE 297 Cb 0.83 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 3gbr h PHE 297 CO -0.11 0.80 0.14 0.00 -2.23 0.00 0.00 178.31 176.91 3gbr h ALA 298 N 1.26 1.44 -0.05 2.41 0.00 -0.52 -2.16 119.26 121.64 3gbr h ALA 298 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gbr h ALA 298 Cb 0.36 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3gbr h ALA 298 CO 0.01 0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.95 3gbr n LEU 299 N -4.34 0.65 -2.59 0.00 4.77 -0.79 -4.87 117.00 109.82 3gbr n LEU 299 Ca 0.03 -0.25 -0.18 0.00 -0.03 0.00 0.00 56.01 55.58 3gbr n LEU 299 Cb 0.17 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3gbr n LEU 299 CO 0.38 0.13 -0.16 0.47 -1.33 0.00 0.00 177.39 176.87 3gbr n ASP 300 N -0.40 -4.91 0.21 -1.43 8.00 -0.81 -4.87 116.55 112.33 3gbr n ASP 300 Ca 0.17 -0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.78 3gbr n ASP 300 Cb 0.18 -4.09 0.15 0.00 -0.02 0.00 0.00 41.12 37.34 3gbr n ASP 300 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3gbr h ARG 301 N -0.28 0.00 -3.92 -1.24 2.47 -1.33 -3.46 114.38 106.62 3gbr h ARG 301 Ca -0.41 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.14 3gbr h ARG 301 Cb 1.30 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 29.40 3gbr h ARG 301 CO 0.48 0.01 -0.68 0.14 0.56 0.00 0.00 179.97 180.48 3gbr s VAL 302 N -3.22 0.10 0.11 2.04 -7.23 -1.25 -5.01 120.40 105.95 3gbr s VAL 302 Ca 0.06 -0.84 0.18 0.00 -1.81 0.00 0.00 61.98 59.58 3gbr s VAL 302 Cb 0.05 -0.26 0.12 0.00 0.56 0.00 0.00 36.38 36.85 3gbr s VAL 302 CO 0.68 -0.46 1.68 1.23 -0.31 0.00 0.00 175.10 177.92 3gbr h GLY 303 N 4.70 0.00 -1.70 2.32 0.00 -1.95 -3.43 103.07 103.00 3gbr h GLY 303 Ca -0.31 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.03 3gbr h GLY 303 CO 0.41 0.00 0.20 0.51 0.00 0.00 0.00 176.54 177.67 3gbr s ASP 304 N -6.44 -0.12 0.28 0.19 -4.77 -1.26 -5.06 116.67 99.51 3gbr s ASP 304 Ca 0.01 -0.85 0.13 0.00 -3.30 0.00 0.00 52.55 48.53 3gbr s ASP 304 Cb 0.10 0.76 0.37 0.00 -1.09 0.00 0.00 42.92 43.06 3gbr s ASP 304 CO 0.70 -1.45 1.60 -0.26 0.70 0.00 0.00 175.17 176.46 3gbr h PHE 305 N 2.02 0.00 -0.17 2.11 -1.00 -1.91 -0.80 116.94 117.20 3gbr h PHE 305 Ca -0.24 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.53 3gbr h PHE 305 Cb 1.25 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.80 3gbr h PHE 305 CO 0.79 0.59 0.08 -0.09 -1.61 0.00 0.00 178.31 178.06 3gbr h ARG 306 N 0.00 0.25 -0.81 1.51 9.65 -1.88 -1.27 114.38 121.83 3gbr h ARG 306 Ca -0.01 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 3gbr h ARG 306 Cb 1.13 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.63 3gbr h ARG 306 CO 0.08 0.30 0.47 1.49 2.80 0.00 0.00 179.97 185.11 3gbr h GLU 307 N 0.13 1.11 -0.56 0.20 4.81 -1.84 -1.83 114.58 116.60 3gbr h GLU 307 Ca 0.06 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3gbr h GLU 307 Cb 0.14 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 3gbr h GLU 307 CO -0.01 0.80 0.32 0.78 -0.73 0.00 0.00 179.01 180.18 3gbr h GLY 308 N 1.12 0.83 0.94 1.92 0.00 -1.07 -1.53 103.07 105.28 3gbr h GLY 308 Ca 0.29 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3gbr h GLY 308 CO -0.05 0.35 -0.05 -1.82 0.00 0.00 0.00 176.54 174.97 3gbr h TYR 309 N 0.76 -0.13 -0.50 5.60 3.20 -0.94 0.03 116.97 124.99 3gbr h TYR 309 Ca 0.20 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.13 3gbr h TYR 309 Cb 0.02 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 3gbr h TYR 309 CO -0.02 -0.02 0.20 0.93 -1.64 0.00 0.00 178.16 177.61 3gbr h GLU 310 N -0.21 0.38 -0.10 1.82 5.08 -1.25 -2.03 114.58 118.27 3gbr h GLU 310 Ca -0.01 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 3gbr h GLU 310 Cb 0.17 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3gbr h GLU 310 CO 0.02 0.25 -0.38 -0.92 -1.00 0.00 0.00 179.01 176.99 3gbr h TYR 311 N 0.39 0.25 -0.13 4.33 3.20 -1.18 -2.72 116.97 121.11 3gbr h TYR 311 Ca 0.23 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 3gbr h TYR 311 Cb 0.22 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3gbr h TYR 311 CO -0.14 0.57 0.07 0.00 -1.64 0.00 0.00 178.16 177.01 3gbr h ALA 312 N 1.43 1.88 -0.51 1.82 0.00 -0.27 -1.56 119.26 122.05 3gbr h ALA 312 Ca 0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3gbr h ALA 312 Cb 0.75 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3gbr h ALA 312 CO 0.06 0.10 -0.06 0.22 0.00 0.00 0.00 179.25 179.57 3gbr h ASP 313 N 0.17 0.90 -0.33 0.00 3.58 -1.13 0.16 116.42 119.77 3gbr h ASP 313 Ca 0.05 -0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.22 3gbr h ASP 313 Cb 0.01 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 3gbr h ASP 313 CO -0.01 1.00 0.14 0.45 -2.88 0.00 0.00 179.24 177.94 3gbr h HIS 314 N 0.83 0.49 -0.49 0.28 3.86 -1.35 -3.15 115.15 115.62 3gbr h HIS 314 Ca 0.14 -0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.24 3gbr h HIS 314 Cb 0.58 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 3gbr h HIS 314 CO 0.03 0.44 -0.03 -0.07 0.86 0.00 0.00 177.93 179.17 3gbr h LEU 315 N 0.39 0.81 -1.55 2.43 3.38 -1.02 -3.00 115.31 116.74 3gbr h LEU 315 Ca 0.11 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3gbr h LEU 315 Cb 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3gbr h LEU 315 CO -0.01 0.89 -0.24 -0.29 0.09 0.00 0.00 178.44 178.88 3gbr h ILE 316 N 0.77 0.95 0.00 1.22 2.10 -0.67 -2.28 117.51 119.60 3gbr h ILE 316 Ca 0.14 -0.87 0.00 0.00 1.08 0.00 0.00 64.86 65.21 3gbr h ILE 316 Cb 0.50 1.50 0.00 0.00 -1.09 0.00 0.00 36.82 37.73 3gbr h ILE 316 CO 0.03 0.23 0.00 -0.33 -1.08 0.00 0.00 178.15 177.00 3gbr h GLU 317 N 0.00 0.00 -0.02 2.19 5.08 -1.49 -2.82 114.58 117.52 3gbr h GLU 317 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gbr h GLU 317 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3gbr h GLU 317 CO 0.03 0.00 -0.28 1.63 -1.00 0.00 0.00 179.01 179.40 3gbr n LYS 318 N -2.85 1.57 0.11 2.33 5.02 -0.87 -4.73 118.16 118.73 3gbr n LYS 318 Ca 0.01 -1.11 -0.04 0.00 -2.02 0.00 0.00 58.31 55.15 3gbr n LYS 318 Cb 0.29 -1.36 0.08 0.00 -0.02 0.00 0.00 35.03 34.02 3gbr n LYS 318 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3gbr h SER 319 N 2.55 0.10 -0.43 4.39 0.02 -1.34 -1.73 113.55 117.12 3gbr h SER 319 Ca 0.00 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.76 3gbr h SER 319 Cb 0.68 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 3gbr h SER 319 CO 0.00 0.79 -0.19 0.25 -1.14 0.00 0.00 176.83 176.54 3gbr h LEU 320 N 0.05 0.94 -0.79 5.07 5.85 -1.85 0.29 115.31 124.87 3gbr h LEU 320 Ca -0.01 -0.34 -0.12 0.00 0.84 0.00 0.00 57.88 58.25 3gbr h LEU 320 Cb 1.28 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3gbr h LEU 320 CO 0.10 1.10 -0.35 0.44 -0.34 0.00 0.00 178.44 179.40 3gbr h ASP 321 N 0.81 0.53 -0.10 1.25 5.19 -1.86 -1.00 116.42 121.23 3gbr h ASP 321 Ca 0.11 -0.21 -0.02 0.00 -0.62 0.00 0.00 57.03 56.29 3gbr h ASP 321 Cb 0.74 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 40.10 3gbr h ASP 321 CO 0.06 0.84 -0.01 0.50 -3.12 0.00 0.00 179.24 177.51 3gbr h LYS 322 N 0.43 0.19 -0.97 3.56 1.63 -1.13 -2.25 116.57 118.02 3gbr h LYS 322 Ca 0.05 -0.06 0.14 0.00 -0.85 0.00 0.00 60.65 59.93 3gbr h LYS 322 Cb 0.81 -0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 32.34 3gbr h LYS 322 CO 0.07 0.46 0.61 1.25 -3.45 0.00 0.00 179.45 178.39 3gbr h LEU 323 N -0.11 0.81 -0.53 5.20 5.85 -0.32 -1.19 115.31 125.02 3gbr h LEU 323 Ca 0.03 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 3gbr h LEU 323 Cb 0.38 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3gbr h LEU 323 CO 0.01 0.39 0.02 -1.13 -0.34 0.00 0.00 178.44 177.39 3gbr h ASN 324 N 0.85 0.90 0.11 1.25 -0.73 -1.03 -1.81 115.58 115.11 3gbr h ASN 324 Ca 0.50 -0.30 -0.14 0.00 1.87 0.00 0.00 56.30 58.24 3gbr h ASN 324 Cb 0.66 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 39.00 3gbr h ASN 324 CO -0.27 0.98 -0.49 1.05 -0.37 0.00 0.00 177.43 178.32 3gbr h GLU 325 N 0.80 0.44 0.33 6.67 4.11 -0.87 -2.18 114.58 123.88 3gbr h GLU 325 Ca 0.15 -0.25 -0.02 0.00 0.07 0.00 0.00 59.36 59.31 3gbr h GLU 325 Cb 0.50 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3gbr h GLU 325 CO 0.02 0.83 -0.16 0.82 0.07 0.00 0.00 179.01 180.60 3gbr h ILE 326 N 0.35 0.69 -0.26 -1.06 2.04 -1.11 -2.50 117.51 115.66 3gbr h ILE 326 Ca 0.02 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.39 3gbr h ILE 326 Cb 0.99 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 3gbr h ILE 326 CO 0.09 0.08 -0.20 0.40 0.00 0.00 0.00 178.15 178.52 3gbr h ILE 327 N -0.66 1.25 -0.12 -0.67 2.04 -1.38 -2.28 117.51 115.68 3gbr h ILE 327 Ca -0.04 -1.15 -0.08 0.00 1.00 0.00 0.00 64.86 64.58 3gbr h ILE 327 Cb 0.47 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3gbr h ILE 327 CO 0.07 0.37 -0.30 0.77 0.00 0.00 0.00 178.15 179.07 3gbr h SER 328 N 0.43 0.23 1.92 1.72 4.64 -1.41 -1.55 113.55 119.53 3gbr h SER 328 Ca 0.07 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3gbr h SER 328 Cb 0.59 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3gbr h SER 328 CO 0.04 0.53 -0.08 -0.03 -0.87 0.00 0.00 176.83 176.42 3gbr h MET 329 N 0.21 0.00 -1.15 4.77 1.85 -1.11 -3.41 114.93 116.08 3gbr h MET 329 Ca 0.03 0.00 -0.28 0.00 -0.61 0.00 0.00 59.70 58.84 3gbr h MET 329 Cb 0.64 0.00 -0.21 0.00 0.43 0.00 0.00 31.60 32.45 3gbr h MET 329 CO 0.05 0.01 -0.63 -1.71 -0.40 0.00 0.00 176.91 174.23 3gbr n ASN 330 N -3.07 -2.55 0.00 1.39 5.15 -0.89 -5.09 115.26 110.20 3gbr n ASN 330 Ca 0.04 -2.87 0.00 0.00 -0.60 0.00 0.00 54.58 51.15 3gbr n ASN 330 Cb 0.54 1.17 0.00 0.00 -0.53 0.00 0.00 39.78 40.95 3gbr n ASN 330 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gbr n GLY 331 N 2.59 0.79 3.28 8.20 0.00 -0.61 -2.27 105.19 117.17 3gbr n GLY 331 Ca 0.19 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 3gbr n GLY 331 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gbr s ASP 332 N -4.00 5.40 0.49 1.61 3.68 0.11 -4.64 116.67 119.31 3gbr s ASP 332 Ca 0.00 -1.20 0.25 0.00 2.13 0.00 0.00 52.55 53.74 3gbr s ASP 332 Cb 0.00 -1.90 1.26 0.00 -1.45 0.00 0.00 42.92 40.84 3gbr s ASP 332 CO 0.00 -0.36 2.00 -0.37 0.13 0.00 0.00 175.17 176.56 3gbr h VAL 333 N 6.14 0.64 0.00 1.11 -1.51 -1.85 -2.89 116.25 117.89 3gbr h VAL 333 Ca -0.23 -0.73 -0.04 0.00 -1.23 0.00 0.00 66.70 64.47 3gbr h VAL 333 Cb 1.08 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 31.70 3gbr h VAL 333 CO 0.63 0.16 -0.18 0.71 -1.23 0.00 0.00 177.57 177.66 3gbr h THR 334 N 0.00 0.68 -0.13 7.19 1.35 -1.93 -0.66 112.91 119.41 3gbr h THR 334 Ca -0.00 -0.78 -0.14 0.00 -0.55 0.00 0.00 66.41 64.93 3gbr h THR 334 Cb 0.45 1.49 0.01 0.00 -1.73 0.00 0.00 68.15 68.37 3gbr h THR 334 CO 0.02 0.18 -0.48 0.11 -0.25 0.00 0.00 175.52 175.10 3gbr h LYS 335 N 0.00 0.56 -0.85 4.72 1.57 -1.79 -2.58 116.57 118.19 3gbr h LYS 335 Ca -0.00 -0.42 0.03 0.00 -1.87 0.00 0.00 60.65 58.38 3gbr h LYS 335 Cb 0.48 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 3gbr h LYS 335 CO 0.02 1.05 0.55 1.25 -0.57 0.00 0.00 179.45 181.75 3gbr h LEU 336 N 0.19 0.92 -0.51 2.94 5.85 -1.03 -2.14 115.31 121.54 3gbr h LEU 336 Ca -0.02 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.56 3gbr h LEU 336 Cb 1.11 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 3gbr h LEU 336 CO 0.10 0.64 -0.17 0.11 -0.34 0.00 0.00 178.44 178.79 3gbr h LYS 337 N 1.09 1.02 -0.80 1.25 1.57 -1.18 0.24 116.57 119.75 3gbr h LYS 337 Ca 0.33 -0.41 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3gbr h LYS 337 Cb -0.03 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 3gbr h LYS 337 CO -0.10 1.10 0.51 1.15 -0.57 0.00 0.00 179.45 181.53 3gbr h THR 338 N 0.89 1.10 -0.38 -0.16 2.02 -1.31 0.54 112.91 115.60 3gbr h THR 338 Ca 0.12 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 3gbr h THR 338 Cb 0.75 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3gbr h THR 338 CO 0.06 0.18 0.12 0.40 0.37 0.00 0.00 175.52 176.65 3gbr h ILE 339 N 0.97 1.21 -0.54 3.11 1.08 -1.11 -1.57 117.51 120.66 3gbr h ILE 339 Ca 0.33 -0.69 -0.00 0.00 -0.39 0.00 0.00 64.86 64.10 3gbr h ILE 339 Cb 0.05 0.94 -0.03 0.00 -3.07 0.00 0.00 36.82 34.72 3gbr h ILE 339 CO -0.13 0.24 0.33 0.58 -0.69 0.00 0.00 178.15 178.48 3gbr h VAL 340 N 0.47 1.15 -0.33 1.67 2.07 -0.38 0.22 116.25 121.12 3gbr h VAL 340 Ca 0.12 -0.33 -0.11 0.00 0.82 0.00 0.00 66.70 67.20 3gbr h VAL 340 Cb 0.25 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3gbr h VAL 340 CO -0.00 0.16 -0.24 0.58 0.02 0.00 0.00 177.57 178.08 3gbr h VAL 341 N 0.74 1.29 -0.06 2.57 2.07 -0.77 0.74 116.25 122.83 3gbr h VAL 341 Ca 0.20 -1.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 3gbr h VAL 341 Cb -0.03 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3gbr h VAL 341 CO -0.04 0.45 -0.03 0.11 0.02 0.00 0.00 177.57 178.08 3gbr h LYS 342 N 0.51 0.09 0.12 1.57 6.56 -0.59 -3.16 116.57 121.67 3gbr h LYS 342 Ca 0.06 -0.01 -0.29 0.00 -1.06 0.00 0.00 60.65 59.36 3gbr h LYS 342 Cb 0.80 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.44 3gbr h LYS 342 CO 0.06 0.13 -1.35 0.77 -2.06 0.00 0.00 179.45 177.00 3gbr h SER 343 N 0.09 0.40 0.00 0.86 0.02 -0.21 -3.51 113.55 111.19 3gbr h SER 343 Ca 0.02 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3gbr h SER 343 Cb 0.12 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.53 3gbr h SER 343 CO 0.00 1.38 0.00 -1.20 -1.14 0.00 0.00 176.83 175.87