#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g9l h PRO 2 N 0.00 -0.63 0.00 1.61 0.13 -2.04 -3.42 132.00 127.65 1g9l h PRO 2 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1g9l h PRO 2 Cb 0.00 0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.27 1g9l h PRO 2 CO 0.00 -0.32 0.00 1.28 -0.23 0.00 0.00 178.00 178.73 1g9l n LEU 3 N -5.25 0.84 -4.94 1.56 4.32 -1.26 -5.04 117.00 107.23 1g9l n LEU 3 Ca -0.10 0.12 -0.24 0.00 -0.02 0.00 0.00 56.01 55.76 1g9l n LEU 3 Cb 0.31 -0.23 0.01 0.00 -1.62 0.00 0.00 43.42 41.89 1g9l n LEU 3 CO 0.29 -0.23 0.13 -0.83 -1.22 0.00 0.00 177.39 175.54 1g9l s GLY 4 N -1.68 2.18 -0.20 -0.72 0.00 -1.26 -5.06 107.32 100.58 1g9l s GLY 4 Ca 0.00 -1.54 0.06 0.00 0.00 0.00 0.00 44.72 43.24 1g9l s GLY 4 CO 0.00 -1.86 0.04 1.44 0.00 0.00 0.00 173.10 172.73 1g9l n SER 5 N -1.89 1.36 -4.59 1.64 7.64 -1.26 -1.99 113.62 114.53 1g9l n SER 5 Ca 0.04 0.01 -0.41 0.00 1.01 0.00 0.00 58.87 59.51 1g9l n SER 5 Cb 0.63 -0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.69 1g9l n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g9l s ALA 6 N -2.53 3.50 -0.19 -0.43 0.00 -1.26 -4.54 121.76 116.31 1g9l s ALA 6 Ca -0.23 -0.71 -0.23 0.00 0.00 0.00 0.00 51.96 50.79 1g9l s ALA 6 Cb 0.08 -3.15 0.06 0.00 0.00 0.00 0.00 23.12 20.11 1g9l s ALA 6 CO 0.71 -1.20 0.63 0.00 0.00 0.00 0.00 175.76 175.90 1g9l s ALA 7 N 2.68 -1.56 0.00 0.00 0.00 -1.26 -5.11 121.76 116.51 1g9l s ALA 7 Ca 0.25 1.63 0.00 0.00 0.00 0.00 0.00 51.96 53.85 1g9l s ALA 7 Cb -0.15 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1g9l s ALA 7 CO 0.13 -0.31 0.00 0.00 0.00 0.00 0.00 175.76 175.58 1g9l n ALA 8 N 2.34 0.00 -2.39 0.00 0.00 -1.26 -4.63 120.51 114.58 1g9l n ALA 8 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1g9l n ALA 8 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 1g9l n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l s ALA 9 N -1.92 3.41 -0.13 0.00 0.00 -1.26 -4.97 121.76 116.89 1g9l s ALA 9 Ca 0.00 0.87 -0.27 0.00 0.00 0.00 0.00 51.96 52.56 1g9l s ALA 9 Cb 0.00 -3.45 -0.26 0.00 0.00 0.00 0.00 23.12 19.41 1g9l s ALA 9 CO 0.00 -0.44 0.73 1.15 0.00 0.00 0.00 175.76 177.20 1g9l h THR 10 N 4.46 1.65 -3.29 0.00 2.02 -2.02 -3.47 112.91 112.25 1g9l h THR 10 Ca -0.42 -2.36 -0.45 0.00 0.77 0.00 0.00 66.41 63.95 1g9l h THR 10 Cb 1.21 3.24 0.06 0.00 -1.74 0.00 0.00 68.15 70.93 1g9l h THR 10 CO 0.81 0.60 0.12 -2.16 0.37 0.00 0.00 175.52 175.26 1g9l s PRO 11 N -2.27 2.48 -0.10 6.66 0.04 -1.26 -5.06 135.00 135.49 1g9l s PRO 11 Ca -0.19 -0.39 -0.04 0.00 0.04 0.00 0.00 61.00 60.42 1g9l s PRO 11 Cb -0.01 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 1g9l s PRO 11 CO 0.70 -0.93 0.13 0.00 0.04 0.00 0.00 177.00 176.95 1g9l h ALA 12 N -0.26 -0.04 -1.57 8.56 0.00 -1.93 -3.42 119.26 120.59 1g9l h ALA 12 Ca -0.44 -0.06 -0.58 0.00 0.00 0.00 0.00 54.91 53.83 1g9l h ALA 12 Cb 1.30 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.00 1g9l h ALA 12 CO 0.58 -0.04 0.80 0.14 0.00 0.00 0.00 179.25 180.73 1g9l s VAL 13 N -1.77 4.08 -0.23 0.00 -7.23 -1.26 -5.01 120.40 108.98 1g9l s VAL 13 Ca -0.03 0.27 -0.12 0.00 -1.81 0.00 0.00 61.98 60.29 1g9l s VAL 13 Cb -0.00 -4.74 -0.05 0.00 0.56 0.00 0.00 36.38 32.15 1g9l s VAL 13 CO 0.09 -1.50 0.22 -0.13 -0.31 0.00 0.00 175.10 173.46 1g9l s ARG 14 N 4.77 4.10 -0.30 4.82 0.52 -1.26 -5.07 118.95 126.53 1g9l s ARG 14 Ca 0.32 -0.15 -0.14 0.00 -0.52 0.00 0.00 55.73 55.24 1g9l s ARG 14 Cb -0.11 -3.53 -0.03 0.00 0.52 0.00 0.00 34.95 31.79 1g9l s ARG 14 CO 0.16 0.05 0.30 0.99 0.02 0.00 0.00 175.30 176.82 1g9l s THR 15 N 1.09 5.23 -0.27 0.02 2.01 -1.26 -4.96 115.64 117.50 1g9l s THR 15 Ca 0.10 0.19 -0.09 0.00 0.31 0.00 0.00 61.69 62.20 1g9l s THR 15 Cb -0.14 -3.68 -0.14 0.00 0.01 0.00 0.00 72.50 68.55 1g9l s THR 15 CO 0.05 0.09 -0.31 0.55 -0.69 0.00 0.00 174.62 174.31 1g9l n VAL 16 N 5.13 1.52 0.30 3.82 3.14 -1.26 -4.66 118.33 126.33 1g9l n VAL 16 Ca -0.11 -0.44 -0.17 0.00 -2.96 0.00 0.00 64.34 60.66 1g9l n VAL 16 Cb 0.51 -1.74 -0.09 0.00 -1.06 0.00 0.00 33.84 31.46 1g9l n VAL 16 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1g9l h PRO 17 N -0.70 -0.70 -4.28 1.45 0.13 -2.07 -3.29 132.00 122.54 1g9l h PRO 17 Ca -0.67 0.05 -0.72 0.00 -0.87 0.00 0.00 66.00 63.79 1g9l h PRO 17 Cb 1.70 0.16 -0.10 0.00 0.13 0.00 0.00 31.00 32.89 1g9l h PRO 17 CO -0.32 -0.45 2.43 1.04 -0.23 0.00 0.00 178.00 180.46 1g9l n GLN 18 N -5.39 3.20 -2.71 0.86 6.02 -1.26 -4.97 117.38 113.12 1g9l n GLN 18 Ca -0.12 -3.15 -0.37 0.00 -0.01 0.00 0.00 57.00 53.35 1g9l n GLN 18 Cb 0.30 -3.19 -0.06 0.00 1.02 0.00 0.00 30.24 28.32 1g9l n GLN 18 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1g9l s TYR 19 N 2.35 3.61 0.37 1.08 5.04 -1.24 -4.95 117.35 123.61 1g9l s TYR 19 Ca 0.46 1.75 -0.26 0.00 -2.44 0.00 0.00 57.07 56.58 1g9l s TYR 19 Cb 0.09 -2.99 -0.09 0.00 0.35 0.00 0.00 41.96 39.32 1g9l s TYR 19 CO -0.02 0.00 1.09 0.21 -1.34 0.00 0.00 175.55 175.49 1g9l s LYS 20 N -2.08 4.26 -1.13 4.97 2.20 -1.26 -4.97 119.74 121.74 1g9l s LYS 20 Ca 0.51 1.66 -0.15 0.00 -0.36 0.00 0.00 55.97 57.63 1g9l s LYS 20 Cb -0.20 -2.75 0.16 0.00 -1.51 0.00 0.00 37.83 33.53 1g9l s LYS 20 CO 0.26 -0.09 1.35 0.71 -0.36 0.00 0.00 175.35 177.22 1g9l s TYR 21 N -1.47 3.36 -0.73 4.03 2.02 -1.26 -4.72 117.35 118.59 1g9l s TYR 21 Ca 0.54 -1.90 0.23 0.00 -0.37 0.00 0.00 57.07 55.58 1g9l s TYR 21 Cb -0.27 -4.32 0.12 0.00 -0.40 0.00 0.00 41.96 37.09 1g9l s TYR 21 CO 0.34 -1.44 1.10 0.00 -1.57 0.00 0.00 175.55 173.97 1g9l n ALA 22 N 6.02 3.55 1.18 3.71 0.00 -1.26 -3.91 120.51 129.80 1g9l n ALA 22 Ca 0.33 -0.41 0.05 0.00 0.00 0.00 0.00 53.44 53.41 1g9l n ALA 22 Cb 0.45 -0.99 0.15 0.00 0.00 0.00 0.00 19.45 19.06 1g9l n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 23 N -1.73 2.47 -2.50 0.00 0.00 -1.26 -4.79 120.51 112.70 1g9l n ALA 23 Ca 0.03 -0.46 -0.43 0.00 0.00 0.00 0.00 53.44 52.58 1g9l n ALA 23 Cb 0.41 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.78 1g9l n ALA 23 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1g9l s GLY 24 N -1.06 1.84 -0.16 0.00 0.00 -1.25 -5.05 107.32 101.64 1g9l s GLY 24 Ca 0.19 -1.39 -0.03 0.00 0.00 0.00 0.00 44.72 43.48 1g9l s GLY 24 CO 0.13 1.26 -0.04 0.14 0.00 0.00 0.00 173.10 174.59 1g9l s VAL 25 N 2.32 3.76 -0.60 1.40 1.01 -1.26 -5.05 120.40 121.99 1g9l s VAL 25 Ca 0.15 -0.40 -0.26 0.00 0.00 0.00 0.00 61.98 61.47 1g9l s VAL 25 Cb -0.16 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1g9l s VAL 25 CO 0.15 0.49 1.93 -0.13 0.00 0.00 0.00 175.10 177.54 1g9l s ARG 26 N 0.50 2.55 -0.00 2.72 1.81 -1.26 -4.97 118.95 120.30 1g9l s ARG 26 Ca -0.04 0.71 -0.11 0.00 -1.72 0.00 0.00 55.73 54.57 1g9l s ARG 26 Cb -0.14 -4.42 -0.05 0.00 -0.45 0.00 0.00 34.95 29.88 1g9l s ARG 26 CO 0.03 -2.81 0.34 0.54 -0.68 0.00 0.00 175.30 172.72 1g9l s ASN 27 N 8.65 6.66 0.38 0.23 4.22 -1.26 -4.97 114.94 128.86 1g9l s ASN 27 Ca 0.71 0.79 0.25 0.00 -2.14 0.00 0.00 52.86 52.47 1g9l s ASN 27 Cb -0.13 -2.18 1.36 0.00 1.28 0.00 0.00 41.25 41.58 1g9l s ASN 27 CO 0.21 0.29 1.76 -0.65 -2.04 0.00 0.00 177.10 176.68 1g9l h PRO 28 N 4.43 0.00 -2.11 3.55 0.11 -2.09 -3.09 132.00 132.81 1g9l h PRO 28 Ca -0.51 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.14 1g9l h PRO 28 Cb 1.21 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.19 1g9l h PRO 28 CO 0.63 0.00 0.58 0.94 -0.21 0.00 0.00 178.00 179.93 1g9l n GLN 29 N -2.39 2.61 0.07 1.05 7.27 -1.26 -4.44 117.38 120.29 1g9l n GLN 29 Ca -0.02 -2.15 -0.22 0.00 0.07 0.00 0.00 57.00 54.69 1g9l n GLN 29 Cb 0.06 -2.19 -0.15 0.00 2.41 0.00 0.00 30.24 30.37 1g9l n GLN 29 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 1g9l h GLN 30 N 3.26 0.36 -5.81 3.69 1.08 -1.97 -3.49 115.11 112.23 1g9l h GLN 30 Ca 0.40 -0.61 -0.34 0.00 -1.45 0.00 0.00 58.65 56.65 1g9l h GLN 30 Cb 0.84 0.23 0.14 0.00 -0.05 0.00 0.00 27.48 28.64 1g9l h GLN 30 CO 0.83 1.29 -0.88 0.72 -0.95 0.00 0.00 178.83 179.84 1g9l n HIS 31 N -3.92 -2.18 -2.98 2.96 8.25 -1.26 -4.91 115.22 111.17 1g9l n HIS 31 Ca -0.18 0.72 -0.44 0.00 -0.26 0.00 0.00 57.72 57.56 1g9l n HIS 31 Cb 0.94 -4.00 -0.02 0.00 1.12 0.00 0.00 29.99 28.03 1g9l n HIS 31 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1g9l s LEU 32 N -6.00 5.29 0.00 2.41 0.05 -1.26 -5.00 118.68 114.17 1g9l s LEU 32 Ca 0.37 -2.24 0.00 0.00 0.05 0.00 0.00 54.13 52.31 1g9l s LEU 32 Cb -0.08 -2.37 0.00 0.00 -2.05 0.00 0.00 46.19 41.68 1g9l s LEU 32 CO 0.79 -0.96 0.00 0.59 -0.55 0.00 0.00 176.35 176.22 1g9l n ASN 33 N 6.08 0.00 -4.59 1.48 4.13 -1.26 -4.99 115.26 116.10 1g9l n ASN 33 Ca 0.24 -0.60 -0.42 0.00 1.68 0.00 0.00 54.58 55.48 1g9l n ASN 33 Cb 0.48 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.69 1g9l n ASN 33 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1g9l s ALA 34 N -2.24 2.65 -0.65 5.41 0.00 -1.26 -4.94 121.76 120.74 1g9l s ALA 34 Ca 0.00 0.31 -0.09 0.00 0.00 0.00 0.00 51.96 52.19 1g9l s ALA 34 Cb 0.00 -4.09 0.17 0.00 0.00 0.00 0.00 23.12 19.20 1g9l s ALA 34 CO 0.00 -2.95 0.52 -1.14 0.00 0.00 0.00 175.76 172.19 1g9l s GLN 35 N 6.22 2.89 0.00 0.00 0.74 -1.26 -4.97 119.66 123.28 1g9l s GLN 35 Ca 0.86 -2.27 -0.03 0.00 0.05 0.00 0.00 55.36 53.97 1g9l s GLN 35 Cb -0.24 -4.03 -0.02 0.00 1.10 0.00 0.00 33.01 29.82 1g9l s GLN 35 CO 0.32 -1.22 0.89 -1.00 -0.55 0.00 0.00 175.29 173.73 1g9l h PRO 36 N 7.73 -0.10 0.00 1.67 0.13 -1.97 -3.46 132.00 135.99 1g9l h PRO 36 Ca -0.04 0.01 -0.43 0.00 -0.87 0.00 0.00 66.00 64.67 1g9l h PRO 36 Cb 1.02 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.19 1g9l h PRO 36 CO 0.78 -0.07 -0.09 1.04 -0.23 0.00 0.00 178.00 179.43 1g9l n GLN 37 N -2.33 0.68 0.10 0.86 1.13 -1.26 -5.03 117.38 111.54 1g9l n GLN 37 Ca -0.01 -2.72 -0.00 0.00 -1.94 0.00 0.00 57.00 52.33 1g9l n GLN 37 Cb 0.04 -0.13 -0.03 0.00 0.11 0.00 0.00 30.24 30.24 1g9l n GLN 37 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 1g9l h VAL 38 N 0.17 1.02 -2.64 5.09 3.04 -2.04 -3.42 116.25 117.46 1g9l h VAL 38 Ca -0.24 -2.49 -0.62 0.00 -1.01 0.00 0.00 66.70 62.34 1g9l h VAL 38 Cb 1.07 2.47 -0.13 0.00 -2.01 0.00 0.00 31.29 32.69 1g9l h VAL 38 CO 0.35 0.58 0.61 -0.89 -1.01 0.00 0.00 177.57 177.21 1g9l s THR 39 N -2.88 4.25 -0.54 3.17 2.01 -1.26 -4.88 115.64 115.50 1g9l s THR 39 Ca 0.02 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.81 1g9l s THR 39 Cb 0.08 -4.71 0.50 0.00 0.01 0.00 0.00 72.50 68.39 1g9l s THR 39 CO 0.77 -1.49 1.86 0.23 -0.69 0.00 0.00 174.62 175.30 1g9l n MET 40 N 7.92 2.63 -4.38 4.92 2.81 -1.26 -4.90 117.12 124.86 1g9l n MET 40 Ca -0.03 -3.33 -0.40 0.00 -1.81 0.00 0.00 57.70 52.13 1g9l n MET 40 Cb 0.46 -2.23 -0.08 0.00 -0.71 0.00 0.00 33.22 30.67 1g9l n MET 40 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1g9l n GLN 41 N -0.96 -0.73 -3.37 0.03 10.64 -1.26 -4.78 117.38 116.93 1g9l n GLN 41 Ca 0.58 0.13 -0.30 0.00 -1.83 0.00 0.00 57.00 55.58 1g9l n GLN 41 Cb 0.96 -4.43 -0.04 0.00 -0.86 0.00 0.00 30.24 25.87 1g9l n GLN 41 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 1g9l s GLN 42 N -6.93 3.69 -0.35 2.61 -2.07 -1.26 -3.27 119.66 112.08 1g9l s GLN 42 Ca 0.76 0.10 -0.20 0.00 -1.82 0.00 0.00 55.36 54.20 1g9l s GLN 42 Cb -0.44 -2.65 -0.00 0.00 -1.09 0.00 0.00 33.01 28.82 1g9l s GLN 42 CO 0.97 0.26 0.63 -1.25 -1.32 0.00 0.00 175.29 174.58 1g9l s PRO 43 N -3.24 3.72 -1.38 9.60 0.04 -1.26 -5.10 135.00 137.38 1g9l s PRO 43 Ca 0.45 0.09 -0.09 0.00 0.04 0.00 0.00 61.00 61.49 1g9l s PRO 43 Cb -0.11 -3.79 0.09 0.00 0.04 0.00 0.00 34.50 30.73 1g9l s PRO 43 CO 0.27 -0.70 2.27 0.00 0.04 0.00 0.00 177.00 178.88 1g9l n ALA 44 N 5.99 6.24 -2.27 8.56 0.00 -1.20 -4.97 120.51 132.86 1g9l n ALA 44 Ca -0.01 -4.05 -0.32 0.00 0.00 0.00 0.00 53.44 49.05 1g9l n ALA 44 Cb 0.49 -3.06 -0.06 0.00 0.00 0.00 0.00 19.45 16.83 1g9l n ALA 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1g9l s VAL 45 N 0.56 4.80 -1.35 0.00 -7.23 -1.26 -4.99 120.40 110.93 1g9l s VAL 45 Ca 0.50 0.70 0.14 0.00 -1.81 0.00 0.00 61.98 61.52 1g9l s VAL 45 Cb 0.15 -3.62 0.34 0.00 0.56 0.00 0.00 36.38 33.80 1g9l s VAL 45 CO -0.05 -0.16 1.25 0.00 -0.31 0.00 0.00 175.10 175.83 1g9l n HIS 46 N -0.35 0.47 -3.32 2.82 1.44 -1.26 -4.98 115.22 110.04 1g9l n HIS 46 Ca 0.02 -0.39 -0.37 0.00 -2.01 0.00 0.00 57.72 54.97 1g9l n HIS 46 Cb 0.53 -0.02 -0.06 0.00 0.12 0.00 0.00 29.99 30.56 1g9l n HIS 46 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1g9l s VAL 47 N -1.05 4.80 0.46 0.61 0.11 -1.26 -5.07 120.40 119.01 1g9l s VAL 47 Ca 0.27 1.06 -0.20 0.00 -2.93 0.00 0.00 61.98 60.18 1g9l s VAL 47 Cb 0.15 -3.83 -0.10 0.00 -1.53 0.00 0.00 36.38 31.08 1g9l s VAL 47 CO 0.20 0.45 0.98 -1.10 -3.33 0.00 0.00 175.10 172.30 1g9l s GLN 48 N -1.39 4.06 -0.15 1.54 -1.52 -1.26 -5.00 119.66 115.94 1g9l s GLN 48 Ca 0.31 1.13 -0.29 0.00 -1.95 0.00 0.00 55.36 54.57 1g9l s GLN 48 Cb -0.18 -2.15 -0.02 0.00 -0.22 0.00 0.00 33.01 30.44 1g9l s GLN 48 CO 0.18 -0.18 1.31 0.20 -0.25 0.00 0.00 175.29 176.56 1g9l s GLY 49 N -2.34 1.63 -0.12 3.09 0.00 -1.26 -5.01 107.32 103.30 1g9l s GLY 49 Ca 0.62 0.51 -0.06 0.00 0.00 0.00 0.00 44.72 45.80 1g9l s GLY 49 CO 0.19 2.56 0.09 1.20 0.00 0.00 0.00 173.10 177.14 1g9l s GLN 50 N 3.57 3.39 -0.02 2.90 -0.21 -1.26 -5.03 119.66 123.00 1g9l s GLN 50 Ca 0.57 -0.24 -0.25 0.00 0.02 0.00 0.00 55.36 55.45 1g9l s GLN 50 Cb -0.23 -3.08 -0.20 0.00 1.00 0.00 0.00 33.01 30.50 1g9l s GLN 50 CO 0.16 0.68 1.28 0.93 -2.12 0.00 0.00 175.29 176.23 1g9l h GLU 51 N 5.29 0.02 -7.06 2.91 3.07 -2.06 -3.45 114.58 113.30 1g9l h GLU 51 Ca -0.51 -0.01 -0.55 0.00 -0.50 0.00 0.00 59.36 57.78 1g9l h GLU 51 Cb 1.21 0.00 0.14 0.00 -0.84 0.00 0.00 28.75 29.26 1g9l h GLU 51 CO 0.59 0.50 0.59 -1.25 -1.40 0.00 0.00 179.01 178.04 1g9l s PRO 52 N -4.29 3.00 -0.03 2.33 0.04 -1.26 -4.99 135.00 129.79 1g9l s PRO 52 Ca -0.16 2.21 -0.17 0.00 0.04 0.00 0.00 61.00 62.93 1g9l s PRO 52 Cb 0.02 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1g9l s PRO 52 CO 0.68 -1.30 0.46 -1.17 0.04 0.00 0.00 177.00 175.71 1g9l s LEU 53 N -3.72 4.41 0.00 -3.56 1.98 -1.26 -4.81 118.68 111.72 1g9l s LEU 53 Ca 0.74 0.95 -0.14 0.00 -2.89 0.00 0.00 54.13 52.80 1g9l s LEU 53 Cb -0.40 -2.67 0.05 0.00 0.66 0.00 0.00 46.19 43.82 1g9l s LEU 53 CO 0.46 0.19 0.63 0.41 -1.89 0.00 0.00 176.35 176.16 1g9l n THR 54 N 2.52 0.00 -0.24 3.68 -1.04 -1.26 -4.89 114.28 113.06 1g9l n THR 54 Ca -0.11 -0.19 0.04 0.00 -2.04 0.00 0.00 64.05 61.76 1g9l n THR 54 Cb 0.52 0.36 0.16 0.00 -1.82 0.00 0.00 70.33 69.55 1g9l n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1g9l h ALA 55 N 2.00 0.91 -0.57 2.41 0.00 -1.63 -0.13 119.26 122.25 1g9l h ALA 55 Ca -0.13 0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1g9l h ALA 55 Cb 0.64 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 1g9l h ALA 55 CO 0.18 -0.30 0.26 0.77 0.00 0.00 0.00 179.25 180.16 1g9l h SER 56 N 0.30 0.35 -0.70 0.00 0.02 -1.87 -0.16 113.55 111.49 1g9l h SER 56 Ca 0.39 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1g9l h SER 56 Cb 0.63 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 1g9l h SER 56 CO -0.46 0.23 0.45 0.24 -1.14 0.00 0.00 176.83 176.15 1g9l h MET 57 N 0.50 0.94 -0.36 3.45 2.07 -1.39 -1.49 114.93 118.64 1g9l h MET 57 Ca 0.27 -0.07 0.02 0.00 -2.07 0.00 0.00 59.70 57.85 1g9l h MET 57 Cb 0.23 -0.21 -0.03 0.00 -1.87 0.00 0.00 31.60 29.73 1g9l h MET 57 CO -0.22 0.63 0.19 -0.07 1.07 0.00 0.00 176.91 178.52 1g9l h LEU 58 N 0.96 0.30 0.00 1.22 4.07 -0.21 -0.28 115.31 121.36 1g9l h LEU 58 Ca 0.26 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1g9l h LEU 58 Cb -0.09 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.60 1g9l h LEU 58 CO -0.05 0.22 0.00 0.00 -1.08 0.00 0.00 178.44 177.53 1g9l n ALA 59 N -2.25 1.65 1.07 1.53 0.00 -0.17 -1.96 120.51 120.39 1g9l n ALA 59 Ca 0.00 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.53 1g9l n ALA 59 Cb 0.07 -1.22 0.56 0.00 0.00 0.00 0.00 19.45 18.86 1g9l n ALA 59 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1g9l n SER 60 N -1.47 0.13 -3.04 0.00 2.88 -0.12 -4.04 113.62 107.95 1g9l n SER 60 Ca 0.04 0.21 -0.20 0.00 -1.33 0.00 0.00 58.87 57.59 1g9l n SER 60 Cb 0.16 -0.31 -0.03 0.00 -0.75 0.00 0.00 64.21 63.28 1g9l n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g9l n ALA 61 N -1.44 2.97 -0.08 -1.46 0.00 -0.83 -4.97 120.51 114.71 1g9l n ALA 61 Ca 0.08 -3.75 -0.06 0.00 0.00 0.00 0.00 53.44 49.71 1g9l n ALA 61 Cb 0.32 -0.86 -0.00 0.00 0.00 0.00 0.00 19.45 18.91 1g9l n ALA 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1g9l h PRO 62 N 2.98 0.02 -0.00 0.00 0.11 -1.71 -0.46 132.00 132.93 1g9l h PRO 62 Ca 0.10 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1g9l h PRO 62 Cb 0.87 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1g9l h PRO 62 CO 0.60 0.01 -0.29 -0.35 -0.21 0.00 0.00 178.00 177.76 1g9l n PRO 63 N -5.24 0.29 0.00 1.05 -0.04 -1.26 -4.55 135.00 125.24 1g9l n PRO 63 Ca 0.00 -0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1g9l n PRO 63 Cb 0.17 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 1g9l n PRO 63 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1g9l n GLN 64 N -1.24 0.00 0.00 0.54 -0.06 -0.90 -5.05 117.38 110.67 1g9l n GLN 64 Ca 0.09 0.01 0.00 0.00 -2.00 0.00 0.00 57.00 55.09 1g9l n GLN 64 Cb 0.33 -0.11 0.00 0.00 -4.06 0.00 0.00 30.24 26.40 1g9l n GLN 64 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1g9l n GLU 65 N -1.42 0.00 0.00 3.69 -0.58 -0.23 -4.93 120.64 117.17 1g9l n GLU 65 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1g9l n GLU 65 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1g9l n GLU 65 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1g9l n GLN 66 N 0.00 0.00 -0.67 3.49 7.27 -1.08 -4.01 117.38 122.39 1g9l n GLN 66 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.13 1g9l n GLN 66 Cb 0.00 -0.03 0.12 0.00 2.41 0.00 0.00 30.24 32.75 1g9l n GLN 66 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 1g9l n LYS 67 N 0.00 0.95 0.03 3.69 -0.00 -1.26 -4.83 118.16 116.74 1g9l n LYS 67 Ca 0.00 -2.54 0.00 0.00 -0.00 0.00 0.00 58.31 55.77 1g9l n LYS 67 Cb 0.00 -1.08 0.00 0.00 -0.00 0.00 0.00 35.03 33.95 1g9l n LYS 67 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1g9l n GLN 68 N -0.68 0.00 0.00 -1.58 7.27 -1.26 -4.80 117.38 116.33 1g9l n GLN 68 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.20 1g9l n GLN 68 Cb 0.78 -0.29 0.00 0.00 2.41 0.00 0.00 30.24 33.14 1g9l n GLN 68 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1g9l n MET 69 N -3.02 0.93 -0.09 3.69 0.00 -1.26 -3.22 117.12 114.14 1g9l n MET 69 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 57.70 57.54 1g9l n MET 69 Cb 0.20 -1.44 -0.08 0.00 0.00 0.00 0.00 33.22 31.89 1g9l n MET 69 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 175.97 177.34 1g9l h LEU 70 N 0.12 0.00 -3.27 3.17 -0.00 -1.88 -3.23 115.31 110.22 1g9l h LEU 70 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 1g9l h LEU 70 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1g9l h LEU 70 CO 0.00 1.23 0.00 0.61 -0.00 0.00 0.00 178.44 180.28 1g9l n GLY 71 N 1.50 3.64 0.00 0.17 0.00 -1.24 -3.83 105.19 105.44 1g9l n GLY 71 Ca -0.23 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1g9l n GLY 71 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1g9l n GLU 72 N -0.10 1.67 0.00 1.61 -0.58 -1.20 -3.43 120.64 118.62 1g9l n GLU 72 Ca 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 1g9l n GLU 72 Cb 0.91 -0.14 0.00 0.00 -0.57 0.00 0.00 31.44 31.64 1g9l n GLU 72 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1g9l n ARG 73 N -0.22 3.23 0.06 3.49 0.00 -1.22 -4.67 116.66 117.33 1g9l n ARG 73 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 57.98 1g9l n ARG 73 Cb 0.00 -0.61 0.48 0.00 0.00 0.00 0.00 32.46 32.34 1g9l n ARG 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1g9l n LEU 74 N -0.85 0.44 -0.07 6.15 4.77 -1.22 -4.02 117.00 122.19 1g9l n LEU 74 Ca 0.00 0.55 -0.09 0.00 -0.03 0.00 0.00 56.01 56.45 1g9l n LEU 74 Cb 0.00 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.64 1g9l n LEU 74 CO 0.00 -0.16 0.65 0.15 -1.33 0.00 0.00 177.39 176.69 1g9l h PHE 75 N 0.00 -0.88 0.00 -1.77 3.57 -1.85 0.22 116.94 116.24 1g9l h PHE 75 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1g9l h PHE 75 Cb 0.57 0.43 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1g9l h PHE 75 CO 0.00 -0.38 0.00 -2.30 -2.23 0.00 0.00 178.31 173.40 1g9l n PRO 76 N -5.41 0.03 -0.11 6.41 -0.02 -1.26 -2.20 135.00 132.45 1g9l n PRO 76 Ca -0.01 0.33 -0.16 0.00 -2.02 0.00 0.00 63.50 61.64 1g9l n PRO 76 Cb 0.33 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.18 1g9l n PRO 76 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1g9l n LEU 77 N -1.39 2.22 -0.26 2.45 7.99 0.62 -4.44 117.00 124.19 1g9l n LEU 77 Ca 0.02 -0.05 -0.05 0.00 -0.01 0.00 0.00 56.01 55.91 1g9l n LEU 77 Cb 0.05 -0.59 0.05 0.00 -0.11 0.00 0.00 43.42 42.83 1g9l n LEU 77 CO 0.04 0.82 1.12 0.40 -1.51 0.00 0.00 177.39 178.26 1g9l h ILE 78 N 0.01 1.21 0.00 -0.08 1.08 -0.59 -1.68 117.51 117.45 1g9l h ILE 78 Ca -0.55 -0.48 0.00 0.00 -0.39 0.00 0.00 64.86 63.44 1g9l h ILE 78 Cb 1.99 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 35.99 1g9l h ILE 78 CO -0.04 0.22 0.52 1.56 -0.69 0.00 0.00 178.15 179.72 1g9l h GLN 79 N 0.97 0.00 0.20 2.37 4.20 -1.76 0.57 115.11 121.66 1g9l h GLN 79 Ca 0.25 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.61 1g9l h GLN 79 Cb -0.01 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.79 1g9l h GLN 79 CO -0.05 0.00 -1.70 0.00 -0.67 0.00 0.00 178.83 176.42 1g9l h ALA 80 N 0.89 0.10 -0.12 3.87 0.00 -1.54 -3.24 119.26 119.21 1g9l h ALA 80 Ca 0.00 -1.09 -0.17 0.00 0.00 0.00 0.00 54.91 53.65 1g9l h ALA 80 Cb 1.04 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1g9l h ALA 80 CO 0.00 0.95 -0.66 0.52 0.00 0.00 0.00 179.25 180.07 1g9l h MET 81 N 0.10 0.46 -6.21 0.00 2.86 0.03 -3.46 114.93 108.71 1g9l h MET 81 Ca -0.33 -0.34 -0.59 0.00 -2.06 0.00 0.00 59.70 56.38 1g9l h MET 81 Cb 2.10 0.06 -0.16 0.00 0.06 0.00 0.00 31.60 33.66 1g9l h MET 81 CO 0.19 0.96 -0.78 -1.01 1.06 0.00 0.00 176.91 177.33 1g9l s HIS 82 N -3.77 2.15 -0.54 -0.22 3.76 -0.07 -5.03 115.29 111.57 1g9l s HIS 82 Ca -0.06 -0.39 -0.23 0.00 -0.15 0.00 0.00 55.06 54.23 1g9l s HIS 82 Cb 0.11 -1.00 -0.21 0.00 1.11 0.00 0.00 32.58 32.59 1g9l s HIS 82 CO 0.84 0.55 1.81 -2.30 -0.85 0.00 0.00 174.74 174.79 1g9l n PRO 83 N -0.17 1.07 -1.82 8.40 -0.02 -1.26 -4.04 135.00 137.15 1g9l n PRO 83 Ca -0.09 -1.54 -0.13 0.00 -2.02 0.00 0.00 63.50 59.72 1g9l n PRO 83 Cb 0.58 -2.74 -0.03 0.00 -0.02 0.00 0.00 33.50 31.29 1g9l n PRO 83 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1g9l n THR 84 N 6.14 -0.26 1.69 3.45 -1.04 -1.22 -4.77 114.28 118.27 1g9l n THR 84 Ca 0.47 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.59 1g9l n THR 84 Cb 0.38 -1.50 0.65 0.00 -1.82 0.00 0.00 70.33 68.03 1g9l n THR 84 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1g9l n LEU 85 N -2.27 0.00 0.00 -4.42 4.32 -1.26 -4.69 117.00 108.68 1g9l n LEU 85 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 1g9l n LEU 85 Cb 0.51 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1g9l n LEU 85 CO 0.19 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.36 1g9l n ALA 86 N -0.90 0.00 0.00 -1.18 0.00 -1.26 -4.60 120.51 112.57 1g9l n ALA 86 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1g9l n ALA 86 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1g9l n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g9l n GLY 87 N 1.60 2.98 0.00 0.00 0.00 -1.26 -4.24 105.19 104.27 1g9l n GLY 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1g9l n GLY 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1g9l n LYS 88 N -2.00 1.11 0.00 1.61 4.81 -1.26 -4.91 118.16 117.52 1g9l n LYS 88 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1g9l n LYS 88 Cb 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 35.03 34.95 1g9l n LYS 88 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1g9l n ILE 89 N -0.05 0.00 -0.36 3.15 5.41 -1.26 0.15 119.36 126.40 1g9l n ILE 89 Ca 0.00 0.99 0.08 0.00 1.00 0.00 0.00 62.75 64.82 1g9l n ILE 89 Cb 0.00 -1.75 0.25 0.00 -0.71 0.00 0.00 39.64 37.43 1g9l n ILE 89 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1g9l h THR 90 N 0.00 0.88 -0.18 1.39 2.02 -1.91 0.72 112.91 115.83 1g9l h THR 90 Ca 0.00 -0.32 0.05 0.00 0.77 0.00 0.00 66.41 66.91 1g9l h THR 90 Cb 0.00 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.26 1g9l h THR 90 CO 0.00 0.17 0.14 1.23 0.37 0.00 0.00 175.52 177.43 1g9l h GLY 91 N 0.94 0.00 1.44 2.16 0.00 -1.54 0.15 103.07 106.22 1g9l h GLY 91 Ca 0.50 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.60 1g9l h GLY 91 CO -0.28 0.00 -0.95 1.98 0.00 0.00 0.00 176.54 177.29 1g9l h MET 92 N 0.00 0.50 0.00 4.80 -1.53 0.75 -3.17 114.93 116.29 1g9l h MET 92 Ca 0.09 -0.53 0.00 0.00 -3.44 0.00 0.00 59.70 55.82 1g9l h MET 92 Cb 0.37 0.15 0.00 0.00 -0.55 0.00 0.00 31.60 31.56 1g9l h MET 92 CO -0.00 1.16 0.09 1.28 0.14 0.00 0.00 176.91 179.59 1g9l n LEU 93 N -3.79 0.00 -1.69 3.39 7.99 0.51 0.13 117.00 123.54 1g9l n LEU 93 Ca -0.08 0.39 -0.09 0.00 -0.01 0.00 0.00 56.01 56.22 1g9l n LEU 93 Cb 0.84 -0.39 0.23 0.00 -0.11 0.00 0.00 43.42 43.99 1g9l n LEU 93 CO 0.52 -0.39 0.97 0.18 -1.51 0.00 0.00 177.39 177.17 1g9l n LEU 94 N -1.38 5.46 0.00 2.23 4.32 -1.18 -3.72 117.00 122.72 1g9l n LEU 94 Ca 0.00 -3.48 0.00 0.00 -0.02 0.00 0.00 56.01 52.51 1g9l n LEU 94 Cb 0.09 -0.72 0.00 0.00 -1.62 0.00 0.00 43.42 41.18 1g9l n LEU 94 CO 0.00 1.00 0.00 -1.84 -1.22 0.00 0.00 177.39 175.33 1g9l n GLU 95 N -0.78 0.00 0.00 3.23 0.28 0.35 -5.09 120.64 118.62 1g9l n GLU 95 Ca 0.42 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.42 1g9l n GLU 95 Cb 1.32 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.19 1g9l n GLU 95 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1g9l n ILE 96 N 0.00 0.00 0.00 3.84 -0.00 0.18 -4.62 119.36 118.76 1g9l n ILE 96 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1g9l n ILE 96 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.78 1g9l n ILE 96 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1g9l n ASP 97 N 0.00 0.00 0.00 7.28 2.03 -1.26 -4.75 116.55 119.85 1g9l n ASP 97 Ca 0.00 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1g9l n ASP 97 Cb 0.00 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.05 1g9l n ASP 97 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1g9l n ASN 98 N -1.35 0.00 0.13 1.67 4.13 -1.26 -4.70 115.26 113.88 1g9l n ASN 98 Ca 0.00 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.25 1g9l n ASN 98 Cb 0.14 -0.01 0.11 0.00 -1.54 0.00 0.00 39.78 38.48 1g9l n ASN 98 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1g9l h SER 99 N 0.00 0.00 0.40 6.41 0.02 -1.96 -2.92 113.55 115.50 1g9l h SER 99 Ca 0.00 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 1g9l h SER 99 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1g9l h SER 99 CO 0.00 0.66 -0.79 -0.33 -1.14 0.00 0.00 176.83 175.23 1g9l h GLU 100 N 0.00 0.30 0.00 3.45 3.07 -1.91 -1.09 114.58 118.40 1g9l h GLU 100 Ca -0.01 -0.27 -0.04 0.00 -0.50 0.00 0.00 59.36 58.54 1g9l h GLU 100 Cb 1.28 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.25 1g9l h GLU 100 CO 0.09 0.94 -0.20 1.25 -1.40 0.00 0.00 179.01 179.68 1g9l h LEU 101 N 0.19 0.00 0.03 1.33 5.85 -1.61 0.26 115.31 121.36 1g9l h LEU 101 Ca -0.04 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.51 1g9l h LEU 101 Cb 1.37 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 1g9l h LEU 101 CO 0.13 0.20 -0.89 -0.07 -0.34 0.00 0.00 178.44 177.47 1g9l h LEU 102 N 0.00 0.10 -0.71 2.25 4.07 -1.34 -3.33 115.31 116.36 1g9l h LEU 102 Ca -0.00 -0.76 -0.09 0.00 0.08 0.00 0.00 57.88 57.11 1g9l h LEU 102 Cb 0.42 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.11 1g9l h LEU 102 CO 0.03 1.37 0.01 -0.74 -1.08 0.00 0.00 178.44 178.02 1g9l h HIS 103 N -0.81 1.08 -0.82 1.13 2.76 -1.14 -1.81 115.15 115.53 1g9l h HIS 103 Ca -0.22 -0.17 0.07 0.00 -2.20 0.00 0.00 60.37 57.84 1g9l h HIS 103 Cb 1.33 -0.29 -0.05 0.00 1.55 0.00 0.00 27.41 29.95 1g9l h HIS 103 CO 0.16 0.96 0.54 0.00 -1.30 0.00 0.00 177.93 178.29 1g9l h MET 104 N 0.92 0.87 -0.00 5.26 -0.00 -1.11 0.62 114.93 121.48 1g9l h MET 104 Ca 0.17 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.82 1g9l h MET 104 Cb 0.53 -0.20 0.00 0.00 -0.00 0.00 0.00 31.60 31.93 1g9l h MET 104 CO 0.03 0.57 -0.32 1.28 -0.00 0.00 0.00 176.91 178.47 1g9l n LEU 105 N -4.48 0.49 -0.10 -0.10 4.77 -1.10 -2.85 117.00 113.62 1g9l n LEU 105 Ca 0.12 0.05 0.07 0.00 -0.03 0.00 0.00 56.01 56.22 1g9l n LEU 105 Cb 0.21 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 1g9l n LEU 105 CO 0.33 0.11 0.05 -0.62 -1.33 0.00 0.00 177.39 175.93 1g9l n GLU 106 N -1.30 2.10 -3.77 3.23 -0.58 0.43 -4.75 120.64 116.01 1g9l n GLU 106 Ca 0.08 -0.23 -0.13 0.00 -0.42 0.00 0.00 57.16 56.45 1g9l n GLU 106 Cb 0.33 -1.20 -0.14 0.00 -0.57 0.00 0.00 31.44 29.87 1g9l n GLU 106 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1g9l s SER 107 N -2.19 -0.14 0.00 1.62 0.15 0.19 -5.01 113.70 108.32 1g9l s SER 107 Ca 0.08 0.32 0.10 0.00 0.70 0.00 0.00 55.95 57.14 1g9l s SER 107 Cb 0.11 0.24 0.58 0.00 -1.71 0.00 0.00 66.02 65.25 1g9l s SER 107 CO 0.53 -0.12 1.01 -0.81 1.20 0.00 0.00 173.24 175.06 1g9l n PRO 108 N 3.79 0.46 0.00 5.44 -0.04 -1.26 -2.25 135.00 141.15 1g9l n PRO 108 Ca -0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 1g9l n PRO 108 Cb 0.54 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 1g9l n PRO 108 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1g9l n GLU 109 N -0.83 2.40 -0.16 0.54 2.13 -1.26 -4.73 120.64 118.73 1g9l n GLU 109 Ca 0.07 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.81 1g9l n GLU 109 Cb 0.03 -0.87 0.00 0.00 0.27 0.00 0.00 31.44 30.87 1g9l n GLU 109 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1g9l h SER 110 N 0.00 0.65 -0.96 4.31 0.02 -1.68 0.40 113.55 116.29 1g9l h SER 110 Ca 0.00 -0.19 0.25 0.00 -0.84 0.00 0.00 61.79 61.01 1g9l h SER 110 Cb 0.44 -0.17 -0.13 0.00 0.14 0.00 0.00 62.40 62.68 1g9l h SER 110 CO 0.00 0.67 0.50 0.25 -1.14 0.00 0.00 176.83 177.11 1g9l h LEU 111 N 0.60 0.48 0.03 5.07 7.12 -1.58 0.50 115.31 127.53 1g9l h LEU 111 Ca 0.15 0.16 -0.00 0.00 0.13 0.00 0.00 57.88 58.31 1g9l h LEU 111 Cb 0.24 0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.48 1g9l h LEU 111 CO -0.01 0.01 -0.01 -0.09 -0.13 0.00 0.00 178.44 178.20 1g9l h ARG 112 N 0.45 -0.04 -0.35 1.25 2.43 -1.58 -2.85 114.38 113.69 1g9l h ARG 112 Ca 0.63 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.87 1g9l h ARG 112 Cb 1.24 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.72 1g9l h ARG 112 CO -0.53 -0.02 -0.30 1.03 -1.51 0.00 0.00 179.97 178.63 1g9l h SER 113 N -0.59 -0.99 -0.06 -3.80 0.87 -0.01 0.25 113.55 109.21 1g9l h SER 113 Ca -0.00 0.18 0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1g9l h SER 113 Cb 0.03 0.47 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1g9l h SER 113 CO 0.01 -0.31 0.04 0.11 -0.53 0.00 0.00 176.83 176.15 1g9l h LYS 114 N -0.26 0.00 0.35 2.24 1.79 -0.17 0.50 116.57 121.03 1g9l h LYS 114 Ca 0.16 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.62 1g9l h LYS 114 Cb 0.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1g9l h LYS 114 CO -0.49 0.00 -0.17 0.28 -1.08 0.00 0.00 179.45 177.99 1g9l h VAL 115 N 0.00 0.23 -0.96 0.50 2.07 -0.38 0.38 116.25 118.10 1g9l h VAL 115 Ca 0.03 -0.72 0.21 0.00 0.82 0.00 0.00 66.70 67.04 1g9l h VAL 115 Cb 0.11 0.38 -0.08 0.00 -1.52 0.00 0.00 31.29 30.18 1g9l h VAL 115 CO -0.00 0.06 0.62 -0.78 0.02 0.00 0.00 177.57 177.49 1g9l h ASP 116 N -1.06 0.53 -0.26 0.57 1.82 -0.54 0.28 116.42 117.75 1g9l h ASP 116 Ca -0.05 0.06 -0.19 0.00 -0.39 0.00 0.00 57.03 56.46 1g9l h ASP 116 Cb 0.45 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.44 1g9l h ASP 116 CO 0.08 0.19 -0.59 -0.33 -1.61 0.00 0.00 179.24 176.98 1g9l h GLU 117 N 0.52 0.86 0.00 0.28 5.08 -0.91 -2.83 114.58 117.57 1g9l h GLU 117 Ca 0.53 -0.57 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1g9l h GLU 117 Cb 1.15 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1g9l h GLU 117 CO -0.26 1.20 -0.12 0.00 -1.00 0.00 0.00 179.01 178.84 1g9l h ALA 118 N 0.65 1.79 -0.18 3.43 0.00 0.17 -2.04 119.26 123.08 1g9l h ALA 118 Ca 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1g9l h ALA 118 Cb 1.20 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1g9l h ALA 118 CO 0.13 0.15 -0.08 0.28 0.00 0.00 0.00 179.25 179.72 1g9l h VAL 119 N 0.00 0.73 -0.59 0.00 2.07 -0.63 1.03 116.25 118.86 1g9l h VAL 119 Ca -0.00 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.69 1g9l h VAL 119 Cb 0.21 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1g9l h VAL 119 CO 0.02 0.00 0.46 0.00 0.02 0.00 0.00 177.57 178.06 1g9l h ALA 120 N 1.09 2.51 0.03 1.67 0.00 -1.34 0.34 119.26 123.56 1g9l h ALA 120 Ca 0.10 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.72 1g9l h ALA 120 Cb 0.21 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1g9l h ALA 120 CO -0.22 -0.76 -1.39 0.28 0.00 0.00 0.00 179.25 177.16 1g9l h VAL 121 N 0.00 1.27 -0.28 0.00 2.07 -0.36 -3.02 116.25 115.92 1g9l h VAL 121 Ca 0.28 -3.01 -0.11 0.00 0.82 0.00 0.00 66.70 64.69 1g9l h VAL 121 Cb 1.19 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 33.64 1g9l h VAL 121 CO -0.00 0.77 -0.23 0.25 0.02 0.00 0.00 177.57 178.38 1g9l h LEU 122 N 0.02 0.70 -1.44 2.57 5.85 0.45 -0.23 115.31 123.23 1g9l h LEU 122 Ca -0.17 -0.45 -0.06 0.00 0.84 0.00 0.00 57.88 58.04 1g9l h LEU 122 Cb 1.92 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.75 1g9l h LEU 122 CO 0.12 1.00 -0.26 1.56 -0.34 0.00 0.00 178.44 180.53 1g9l h GLN 123 N 0.40 0.04 -0.01 1.25 1.08 -0.79 0.39 115.11 117.47 1g9l h GLN 123 Ca 0.05 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1g9l h GLN 123 Cb 0.79 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 1g9l h GLN 123 CO 0.06 0.29 -0.06 0.00 -0.95 0.00 0.00 178.83 178.17 1g9l n ALA 124 N -2.49 2.71 -0.00 3.87 0.00 -1.07 -3.83 120.51 119.70 1g9l n ALA 124 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1g9l n ALA 124 Cb 0.32 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1g9l n ALA 124 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1g9l n HIS 125 N -0.20 0.00 0.00 0.00 -0.00 -0.12 -4.44 115.22 110.46 1g9l n HIS 125 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.90 1g9l n HIS 125 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.31 1g9l n HIS 125 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1g9l n GLN 126 N -0.94 0.00 -1.06 1.57 1.13 0.13 -4.50 117.38 113.71 1g9l n GLN 126 Ca 0.00 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.83 1g9l n GLN 126 Cb 0.00 0.00 0.09 0.00 0.11 0.00 0.00 30.24 30.44 1g9l n GLN 126 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1g9l n ALA 127 N -3.00 5.43 -1.81 -1.58 0.00 -1.26 -4.61 120.51 113.69 1g9l n ALA 127 Ca 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 53.44 50.95 1g9l n ALA 127 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1g9l n ALA 127 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1g9l n LYS 128 N -0.51 3.50 -0.04 0.00 5.02 -1.26 -4.95 118.16 119.91 1g9l n LYS 128 Ca 0.47 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.80 1g9l n LYS 128 Cb 0.93 0.00 0.19 0.00 -0.02 0.00 0.00 35.03 36.13 1g9l n LYS 128 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1g9l n GLU 129 N 0.00 1.24 -0.03 1.97 2.13 -1.26 -3.37 120.64 121.31 1g9l n GLU 129 Ca 0.00 -0.37 0.12 0.00 0.66 0.00 0.00 57.16 57.58 1g9l n GLU 129 Cb 0.00 -1.16 0.50 0.00 0.27 0.00 0.00 31.44 31.05 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1g9l n ALA 130 N -0.27 2.56 -2.87 4.31 0.00 -1.26 -4.75 120.51 118.23 1g9l n ALA 130 Ca 0.07 -0.44 -0.43 0.00 0.00 0.00 0.00 53.44 52.64 1g9l n ALA 130 Cb 0.11 -1.17 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 1g9l n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l s ALA 131 N -1.91 3.14 -1.30 0.00 0.00 -1.22 -4.96 121.76 115.51 1g9l s ALA 131 Ca 0.36 -1.86 -0.16 0.00 0.00 0.00 0.00 51.96 50.30 1g9l s ALA 131 Cb 0.19 -3.82 0.10 0.00 0.00 0.00 0.00 23.12 19.59 1g9l s ALA 131 CO 0.30 -2.72 1.74 1.04 0.00 0.00 0.00 175.76 176.12 1g9l n GLN 132 N 7.57 3.22 0.11 0.00 1.13 -1.26 -4.79 117.38 123.36 1g9l n GLN 132 Ca -0.04 -3.34 -0.05 0.00 -1.94 0.00 0.00 57.00 51.63 1g9l n GLN 132 Cb 0.45 -3.33 -0.02 0.00 0.11 0.00 0.00 30.24 27.45 1g9l n GLN 132 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1g9l h LYS 133 N 7.16 -0.30 -6.09 -1.09 1.57 -1.98 -3.39 116.57 112.45 1g9l h LYS 133 Ca 0.43 0.02 -0.55 0.00 -1.87 0.00 0.00 60.65 58.68 1g9l h LYS 133 Cb 0.83 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 33.12 1g9l h LYS 133 CO 1.47 -0.20 1.34 0.00 -0.57 0.00 0.00 179.45 181.50 1g9l s ALA 134 N -3.57 2.58 0.11 3.86 0.00 -1.26 -4.98 121.76 118.49 1g9l s ALA 134 Ca -0.05 -2.01 -0.30 0.00 0.00 0.00 0.00 51.96 49.60 1g9l s ALA 134 Cb 0.00 -4.49 -0.07 0.00 0.00 0.00 0.00 23.12 18.57 1g9l s ALA 134 CO 0.14 -3.73 1.19 0.08 0.00 0.00 0.00 175.76 173.44 1g9l s VAL 135 N 5.80 3.89 -0.16 0.00 1.01 -1.26 -4.96 120.40 124.71 1g9l s VAL 135 Ca 0.48 1.44 -0.12 0.00 0.00 0.00 0.00 61.98 63.77 1g9l s VAL 135 Cb -0.02 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 1g9l s VAL 135 CO -0.05 0.16 -0.17 0.59 0.00 0.00 0.00 175.10 175.64 1g9l n ASN 136 N 3.37 1.84 -4.58 3.32 5.03 -1.26 -4.84 115.26 118.14 1g9l n ASN 136 Ca 0.07 0.55 -0.42 0.00 0.87 0.00 0.00 54.58 55.64 1g9l n ASN 136 Cb 0.46 -0.86 -0.05 0.00 -1.02 0.00 0.00 39.78 38.30 1g9l n ASN 136 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1g9l s SER 137 N -5.97 6.51 -1.02 6.41 0.01 -1.26 -4.98 113.70 113.39 1g9l s SER 137 Ca -0.20 0.26 -0.23 0.00 1.31 0.00 0.00 55.95 57.08 1g9l s SER 137 Cb 0.03 -2.38 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 1g9l s SER 137 CO 0.31 -0.72 1.83 0.00 0.41 0.00 0.00 173.24 175.07 1g9l s ALA 138 N 3.04 2.04 -0.36 1.44 0.00 -1.26 -4.90 121.76 121.75 1g9l s ALA 138 Ca 0.30 -1.92 -0.00 0.00 0.00 0.00 0.00 51.96 50.33 1g9l s ALA 138 Cb -0.13 -4.59 0.09 0.00 0.00 0.00 0.00 23.12 18.50 1g9l s ALA 138 CO 0.17 -4.55 0.10 -0.08 0.00 0.00 0.00 175.76 171.41 1g9l s THR 139 N 8.79 2.85 -0.75 0.00 -1.32 -1.26 -4.94 115.64 119.01 1g9l s THR 139 Ca 0.64 -2.02 0.26 0.00 -1.21 0.00 0.00 61.69 59.36 1g9l s THR 139 Cb -0.03 -2.93 0.26 0.00 -1.51 0.00 0.00 72.50 68.29 1g9l s THR 139 CO 0.01 -0.53 1.76 0.61 -2.21 0.00 0.00 174.62 174.26 1g9l n GLY 140 N 4.48 -1.67 3.73 6.08 0.00 -1.26 -4.78 105.19 111.78 1g9l n GLY 140 Ca -0.03 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1g9l n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g9l s VAL 141 N -3.10 5.25 -1.22 1.61 0.11 -1.26 -5.00 120.40 116.80 1g9l s VAL 141 Ca 0.11 0.71 -0.17 0.00 -2.93 0.00 0.00 61.98 59.69 1g9l s VAL 141 Cb 0.13 -3.70 -0.02 0.00 -1.53 0.00 0.00 36.38 31.26 1g9l s VAL 141 CO 0.60 0.38 2.08 -0.81 -3.33 0.00 0.00 175.10 174.02 1g9l n PRO 142 N 3.48 2.41 -0.09 1.54 -0.04 -1.26 -4.49 135.00 136.55 1g9l n PRO 142 Ca -0.10 -2.43 -0.14 0.00 -0.04 0.00 0.00 63.50 60.79 1g9l n PRO 142 Cb 0.52 -3.22 -0.14 0.00 -0.04 0.00 0.00 33.50 30.62 1g9l n PRO 142 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1g9l n THR 143 N 5.63 1.49 0.71 0.52 5.66 -1.26 -5.30 114.28 121.74 1g9l n THR 143 Ca 0.51 -0.73 0.06 0.00 -3.05 0.00 0.00 64.05 60.83 1g9l n THR 143 Cb 0.40 -0.99 0.34 0.00 -1.55 0.00 0.00 70.33 68.53 1g9l n THR 143 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54