#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g9l s PRO 2 N 0.00 4.22 0.00 1.61 0.04 -1.26 -4.88 135.00 134.73 1g9l s PRO 2 Ca 0.00 2.06 0.21 0.00 0.04 0.00 0.00 61.00 63.31 1g9l s PRO 2 Cb 0.00 -3.80 1.05 0.00 0.04 0.00 0.00 34.50 31.80 1g9l s PRO 2 CO 0.00 -0.74 1.71 -0.11 0.04 0.00 0.00 177.00 177.90 1g9l n LEU 3 N 6.40 0.67 -4.77 -3.56 0.00 -1.26 -4.84 117.00 109.65 1g9l n LEU 3 Ca 0.15 -0.27 -0.31 0.00 0.00 0.00 0.00 56.01 55.58 1g9l n LEU 3 Cb 0.43 -0.04 -0.07 0.00 0.00 0.00 0.00 43.42 43.75 1g9l n LEU 3 CO 0.60 0.14 -0.27 -0.83 0.00 0.00 0.00 177.39 177.03 1g9l s GLY 4 N -1.64 2.01 -0.56 -3.96 0.00 -1.26 -5.02 107.32 96.89 1g9l s GLY 4 Ca 0.32 -0.99 -0.03 0.00 0.00 0.00 0.00 44.72 44.02 1g9l s GLY 4 CO 0.25 -0.95 2.41 1.44 0.00 0.00 0.00 173.10 176.26 1g9l n SER 5 N 0.62 6.87 -1.89 1.64 7.64 -1.26 -4.92 113.62 122.32 1g9l n SER 5 Ca -0.10 -3.41 0.00 0.00 1.01 0.00 0.00 58.87 56.38 1g9l n SER 5 Cb 0.52 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 1g9l n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g9l n ALA 6 N 0.27 -2.24 -3.14 -0.43 0.00 -1.26 -4.80 120.51 108.91 1g9l n ALA 6 Ca 0.49 0.38 -0.03 0.00 0.00 0.00 0.00 53.44 54.28 1g9l n ALA 6 Cb 0.48 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1g9l n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 7 N 1.48 -2.53 -1.77 0.00 0.00 -1.26 -4.96 120.51 111.47 1g9l n ALA 7 Ca 0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 53.44 53.04 1g9l n ALA 7 Cb 0.00 -1.72 -0.06 0.00 0.00 0.00 0.00 19.45 17.67 1g9l n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l s ALA 8 N -3.03 3.26 -0.43 0.00 0.00 -1.26 -4.96 121.76 115.33 1g9l s ALA 8 Ca 0.03 0.62 0.16 0.00 0.00 0.00 0.00 51.96 52.77 1g9l s ALA 8 Cb -0.01 -3.22 0.67 0.00 0.00 0.00 0.00 23.12 20.56 1g9l s ALA 8 CO 0.76 0.10 1.58 0.00 0.00 0.00 0.00 175.76 178.20 1g9l n ALA 9 N 0.83 3.31 -3.93 0.00 0.00 -1.26 -4.78 120.51 114.69 1g9l n ALA 9 Ca 0.01 -1.95 -0.29 0.00 0.00 0.00 0.00 53.44 51.20 1g9l n ALA 9 Cb 0.48 -0.91 -0.13 0.00 0.00 0.00 0.00 19.45 18.89 1g9l n ALA 9 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1g9l s THR 10 N -2.50 2.69 0.36 0.00 -4.23 -1.26 -5.10 115.64 105.60 1g9l s THR 10 Ca 0.48 -3.68 -0.27 0.00 -1.18 0.00 0.00 61.69 57.04 1g9l s THR 10 Cb 0.35 -2.83 -0.09 0.00 1.34 0.00 0.00 72.50 71.27 1g9l s THR 10 CO 0.15 -0.88 1.22 -2.16 -0.54 0.00 0.00 174.62 172.41 1g9l s PRO 11 N -0.73 4.21 -0.45 3.99 0.04 -1.26 -4.94 135.00 135.87 1g9l s PRO 11 Ca 0.20 1.99 0.02 0.00 0.04 0.00 0.00 61.00 63.25 1g9l s PRO 11 Cb -0.18 -2.88 0.53 0.00 0.04 0.00 0.00 34.50 32.01 1g9l s PRO 11 CO -0.06 -0.23 1.87 0.00 0.04 0.00 0.00 177.00 178.62 1g9l n ALA 12 N 0.46 5.45 -2.88 8.56 0.00 -1.26 -4.89 120.51 125.95 1g9l n ALA 12 Ca 0.02 -2.67 -0.43 0.00 0.00 0.00 0.00 53.44 50.35 1g9l n ALA 12 Cb 0.44 -1.48 -0.04 0.00 0.00 0.00 0.00 19.45 18.38 1g9l n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1g9l s VAL 13 N -3.26 4.48 -1.43 0.00 1.01 -1.26 -4.86 120.40 115.07 1g9l s VAL 13 Ca 0.52 -0.43 0.26 0.00 0.00 0.00 0.00 61.98 62.33 1g9l s VAL 13 Cb 0.43 -4.60 0.46 0.00 0.00 0.00 0.00 36.38 32.66 1g9l s VAL 13 CO 0.07 -1.30 1.88 -1.14 0.00 0.00 0.00 175.10 174.61 1g9l n ARG 14 N 7.27 0.37 -0.21 2.72 3.00 -1.26 -4.80 116.66 123.76 1g9l n ARG 14 Ca -0.05 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1g9l n ARG 14 Cb 0.45 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.41 1g9l n ARG 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1g9l n THR 15 N -1.29 0.00 -3.95 5.15 -1.04 -1.26 -5.11 114.28 106.79 1g9l n THR 15 Ca 0.12 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.79 1g9l n THR 15 Cb 0.21 -1.00 -0.14 0.00 -1.82 0.00 0.00 70.33 67.57 1g9l n THR 15 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1g9l s VAL 16 N 1.78 3.06 -0.35 12.58 -7.23 -1.26 -4.98 120.40 123.99 1g9l s VAL 16 Ca 0.00 -0.68 0.26 0.00 -1.81 0.00 0.00 61.98 59.75 1g9l s VAL 16 Cb 0.00 -2.41 0.29 0.00 0.56 0.00 0.00 36.38 34.82 1g9l s VAL 16 CO 0.00 0.39 1.79 1.55 -0.31 0.00 0.00 175.10 178.52 1g9l h PRO 17 N 8.07 0.00 -5.41 4.82 0.13 -1.99 -3.42 132.00 134.20 1g9l h PRO 17 Ca -0.40 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.12 1g9l h PRO 17 Cb 1.15 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.16 1g9l h PRO 17 CO 0.60 0.00 -0.09 1.14 -0.23 0.00 0.00 178.00 179.43 1g9l s GLN 18 N -3.38 4.13 0.94 0.86 -2.07 -1.26 -5.07 119.66 113.80 1g9l s GLN 18 Ca 0.04 0.30 -0.15 0.00 -1.82 0.00 0.00 55.36 53.73 1g9l s GLN 18 Cb 0.09 -3.60 0.17 0.00 -1.09 0.00 0.00 33.01 28.59 1g9l s GLN 18 CO 0.46 -0.21 1.24 0.71 -1.32 0.00 0.00 175.29 176.17 1g9l s TYR 19 N 1.85 1.93 -0.09 9.60 1.51 -1.26 -5.04 117.35 125.84 1g9l s TYR 19 Ca 0.21 0.51 -0.17 0.00 -1.01 0.00 0.00 57.07 56.61 1g9l s TYR 19 Cb -0.15 -3.80 -0.05 0.00 -0.11 0.00 0.00 41.96 37.85 1g9l s TYR 19 CO 0.09 -2.54 0.46 0.15 -1.11 0.00 0.00 175.55 172.60 1g9l s LYS 20 N -5.68 4.27 -0.76 -0.62 1.02 -1.26 -5.03 119.74 111.68 1g9l s LYS 20 Ca 0.69 0.43 -0.23 0.00 0.02 0.00 0.00 55.97 56.89 1g9l s LYS 20 Cb -0.08 -3.39 0.07 0.00 -0.52 0.00 0.00 37.83 33.91 1g9l s LYS 20 CO 0.52 0.26 1.10 0.71 -0.92 0.00 0.00 175.35 177.03 1g9l s TYR 21 N 0.28 2.68 -0.77 3.18 2.02 -1.26 -4.97 117.35 118.51 1g9l s TYR 21 Ca 0.25 -0.66 -0.26 0.00 -0.37 0.00 0.00 57.07 56.04 1g9l s TYR 21 Cb -0.15 -4.39 -0.02 0.00 -0.40 0.00 0.00 41.96 37.00 1g9l s TYR 21 CO 0.11 -1.72 1.77 0.00 -1.57 0.00 0.00 175.55 174.13 1g9l s ALA 22 N 4.18 2.14 -0.31 3.71 0.00 -1.26 -4.94 121.76 125.28 1g9l s ALA 22 Ca 0.29 -1.22 -0.29 0.00 0.00 0.00 0.00 51.96 50.74 1g9l s ALA 22 Cb -0.11 -4.41 -0.01 0.00 0.00 0.00 0.00 23.12 18.59 1g9l s ALA 22 CO 0.05 -4.10 1.49 0.00 0.00 0.00 0.00 175.76 173.20 1g9l s ALA 23 N 8.51 3.19 -0.61 0.00 0.00 -1.26 -4.86 121.76 126.74 1g9l s ALA 23 Ca 0.61 0.17 0.22 0.00 0.00 0.00 0.00 51.96 52.96 1g9l s ALA 23 Cb -0.09 -3.87 -0.17 0.00 0.00 0.00 0.00 23.12 18.99 1g9l s ALA 23 CO 0.09 -2.09 0.82 0.41 0.00 0.00 0.00 175.76 174.99 1g9l n GLY 24 N 4.76 -1.06 3.88 0.00 0.00 -1.26 -4.93 105.19 106.57 1g9l n GLY 24 Ca 0.17 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 1g9l n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g9l s VAL 25 N -3.21 5.42 0.46 1.61 0.11 -1.26 -5.10 120.40 118.42 1g9l s VAL 25 Ca 0.02 0.24 -0.08 0.00 -2.93 0.00 0.00 61.98 59.23 1g9l s VAL 25 Cb 0.15 -3.48 -0.05 0.00 -1.53 0.00 0.00 36.38 31.47 1g9l s VAL 25 CO 0.86 0.55 0.80 -0.60 -3.33 0.00 0.00 175.10 173.38 1g9l s ARG 26 N -1.23 3.66 -0.29 1.54 3.52 -1.26 -5.06 118.95 119.83 1g9l s ARG 26 Ca 0.19 0.38 -0.13 0.00 -0.13 0.00 0.00 55.73 56.04 1g9l s ARG 26 Cb -0.13 -2.36 -0.04 0.00 -1.56 0.00 0.00 34.95 30.87 1g9l s ARG 26 CO 0.08 -0.15 0.27 -0.80 -0.81 0.00 0.00 175.30 173.89 1g9l s ASN 27 N -3.64 6.11 0.04 -2.12 -0.87 -1.26 -5.01 114.94 108.19 1g9l s ASN 27 Ca 0.50 -0.01 -0.20 0.00 -1.57 0.00 0.00 52.86 51.58 1g9l s ASN 27 Cb -0.10 -2.16 -0.11 0.00 -0.02 0.00 0.00 41.25 38.86 1g9l s ASN 27 CO 0.39 -0.15 1.31 -0.65 -2.57 0.00 0.00 177.10 175.43 1g9l h PRO 28 N 8.34 -0.64 0.00 -0.60 0.11 -2.08 -3.45 132.00 133.68 1g9l h PRO 28 Ca -0.33 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1g9l h PRO 28 Cb 1.17 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1g9l h PRO 28 CO 0.61 -0.43 0.00 0.00 -0.21 0.00 0.00 178.00 177.97 1g9l n GLN 29 N -4.04 1.39 0.00 1.05 10.64 -1.26 -5.12 117.38 120.04 1g9l n GLN 29 Ca -0.08 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 1g9l n GLN 29 Cb 0.28 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.66 1g9l n GLN 29 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1g9l n GLN 30 N -0.80 0.00 -1.46 2.61 6.02 -1.26 -4.91 117.38 117.58 1g9l n GLN 30 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.83 1g9l n GLN 30 Cb 0.00 -0.03 -0.07 0.00 1.02 0.00 0.00 30.24 31.17 1g9l n GLN 30 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1g9l n HIS 31 N -0.25 -0.22 -3.01 1.08 -0.00 -1.26 -4.94 115.22 106.63 1g9l n HIS 31 Ca 0.00 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.99 1g9l n HIS 31 Cb 0.00 -2.91 0.05 0.00 -0.12 0.00 0.00 29.99 27.02 1g9l n HIS 31 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1g9l s LEU 32 N -4.07 3.19 0.00 0.27 0.20 -1.26 -5.13 118.68 111.88 1g9l s LEU 32 Ca 0.00 -0.75 -0.01 0.00 0.69 0.00 0.00 54.13 54.06 1g9l s LEU 32 Cb 0.00 -1.82 0.03 0.00 -0.43 0.00 0.00 46.19 43.97 1g9l s LEU 32 CO 0.00 -1.27 0.19 -0.46 -0.29 0.00 0.00 176.35 174.52 1g9l n ASN 33 N -2.20 0.16 -4.66 3.68 6.94 -1.26 -5.02 115.26 112.90 1g9l n ASN 33 Ca 0.14 -1.16 -0.43 0.00 -0.02 0.00 0.00 54.58 53.11 1g9l n ASN 33 Cb 0.61 -0.13 -0.02 0.00 -2.36 0.00 0.00 39.78 37.88 1g9l n ASN 33 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1g9l s ALA 34 N -3.20 3.68 -0.13 -2.53 0.00 -1.26 -4.95 121.76 113.37 1g9l s ALA 34 Ca 0.12 0.22 -0.26 0.00 0.00 0.00 0.00 51.96 52.04 1g9l s ALA 34 Cb -0.01 -3.56 -0.23 0.00 0.00 0.00 0.00 23.12 19.33 1g9l s ALA 34 CO 0.08 -1.06 0.70 0.37 0.00 0.00 0.00 175.76 175.85 1g9l h GLN 35 N 7.54 -0.00 -6.84 0.00 4.15 -2.07 -3.46 115.11 114.43 1g9l h GLN 35 Ca -0.20 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.68 1g9l h GLN 35 Cb 1.07 0.00 0.09 0.00 0.21 0.00 0.00 27.48 28.85 1g9l h GLN 35 CO 0.98 0.88 0.82 -2.30 -1.93 0.00 0.00 178.83 177.28 1g9l n PRO 36 N -4.64 2.66 -3.44 -2.39 -0.02 -1.26 -4.99 135.00 120.92 1g9l n PRO 36 Ca -0.09 0.94 -0.38 0.00 -2.02 0.00 0.00 63.50 61.95 1g9l n PRO 36 Cb 0.42 -2.69 -0.06 0.00 -0.02 0.00 0.00 33.50 31.15 1g9l n PRO 36 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1g9l s GLN 37 N -1.12 3.99 -0.30 -0.52 -2.07 -1.26 -5.06 119.66 113.32 1g9l s GLN 37 Ca 0.60 0.49 -0.20 0.00 -1.82 0.00 0.00 55.36 54.43 1g9l s GLN 37 Cb -0.50 -3.23 -0.01 0.00 -1.09 0.00 0.00 33.01 28.19 1g9l s GLN 37 CO 0.54 0.67 0.61 0.14 -1.32 0.00 0.00 175.29 175.94 1g9l s VAL 38 N -1.06 4.95 -0.21 3.63 -7.23 -1.26 -4.91 120.40 114.32 1g9l s VAL 38 Ca 0.25 0.83 -0.04 0.00 -1.81 0.00 0.00 61.98 61.20 1g9l s VAL 38 Cb -0.17 -3.98 -0.11 0.00 0.56 0.00 0.00 36.38 32.67 1g9l s VAL 38 CO 0.15 -0.12 -0.22 0.41 -0.31 0.00 0.00 175.10 175.00 1g9l n THR 39 N 5.38 1.15 -0.35 5.32 -1.04 -1.26 -4.96 114.28 118.51 1g9l n THR 39 Ca -0.02 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 1g9l n THR 39 Cb 0.49 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.51 1g9l n THR 39 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1g9l n MET 40 N -3.50 3.51 0.00 -2.82 1.56 -1.26 -4.84 117.12 109.76 1g9l n MET 40 Ca -0.38 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.05 1g9l n MET 40 Cb 0.84 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.21 1g9l n MET 40 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 1g9l n GLN 41 N 0.00 0.00 -1.68 2.12 1.13 -1.26 -4.59 117.38 113.10 1g9l n GLN 41 Ca 0.00 0.00 -0.47 0.00 -1.94 0.00 0.00 57.00 54.59 1g9l n GLN 41 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.31 1g9l n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1g9l n GLN 42 N 4.37 2.30 -1.68 -1.09 10.64 -1.26 -4.86 117.38 125.80 1g9l n GLN 42 Ca 0.00 0.84 -0.47 0.00 -1.83 0.00 0.00 57.00 55.53 1g9l n GLN 42 Cb 0.00 -2.68 -0.04 0.00 -0.86 0.00 0.00 30.24 26.66 1g9l n GLN 42 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 1g9l n PRO 43 N 5.81 2.23 -2.87 2.61 -0.02 -1.26 -4.94 135.00 136.56 1g9l n PRO 43 Ca 0.21 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 62.08 1g9l n PRO 43 Cb 0.31 -2.66 -0.04 0.00 -0.02 0.00 0.00 33.50 31.09 1g9l n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g9l s ALA 44 N 3.55 3.55 -2.10 3.55 0.00 -1.26 -4.92 121.76 124.13 1g9l s ALA 44 Ca 0.90 0.01 0.24 0.00 0.00 0.00 0.00 51.96 53.11 1g9l s ALA 44 Cb -0.67 -3.27 1.25 0.00 0.00 0.00 0.00 23.12 20.44 1g9l s ALA 44 CO 0.48 -0.73 1.83 1.33 0.00 0.00 0.00 175.76 178.67 1g9l n VAL 45 N 4.88 0.04 -3.12 0.00 0.24 -1.26 -4.81 118.33 114.29 1g9l n VAL 45 Ca 0.05 -0.09 -0.39 0.00 -2.04 0.00 0.00 64.34 61.87 1g9l n VAL 45 Cb 0.48 -0.15 -0.05 0.00 -1.47 0.00 0.00 33.84 32.65 1g9l n VAL 45 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1g9l s HIS 46 N -1.96 3.59 -0.16 6.34 2.46 -1.26 -4.92 115.29 119.38 1g9l s HIS 46 Ca 0.35 1.18 -0.05 0.00 0.47 0.00 0.00 55.06 57.00 1g9l s HIS 46 Cb 0.17 -2.72 -0.03 0.00 -0.13 0.00 0.00 32.58 29.86 1g9l s HIS 46 CO 0.28 0.15 0.01 0.08 -2.47 0.00 0.00 174.74 172.80 1g9l s VAL 47 N 0.57 4.37 -1.50 0.89 1.01 -1.26 -4.98 120.40 119.50 1g9l s VAL 47 Ca 0.34 -0.19 0.28 0.00 0.00 0.00 0.00 61.98 62.42 1g9l s VAL 47 Cb -0.17 -2.93 0.38 0.00 0.00 0.00 0.00 36.38 33.66 1g9l s VAL 47 CO 0.17 0.49 1.83 0.00 0.00 0.00 0.00 175.10 177.58 1g9l n GLN 48 N 3.35 0.53 0.00 2.72 1.13 -1.26 -4.59 117.38 119.26 1g9l n GLN 48 Ca -0.17 -0.18 0.00 0.00 -1.94 0.00 0.00 57.00 54.71 1g9l n GLN 48 Cb 0.52 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.38 1g9l n GLN 48 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1g9l n GLY 49 N 1.33 0.52 3.73 1.08 0.00 -1.26 -5.03 105.19 105.56 1g9l n GLY 49 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1g9l n GLY 49 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1g9l s GLN 50 N 0.22 3.02 -0.09 1.61 -2.07 -1.26 -5.07 119.66 116.03 1g9l s GLN 50 Ca 0.00 -0.43 -0.30 0.00 -1.82 0.00 0.00 55.36 52.81 1g9l s GLN 50 Cb 0.00 -2.84 -0.04 0.00 -1.09 0.00 0.00 33.01 29.04 1g9l s GLN 50 CO 0.00 0.68 1.53 -1.21 -1.32 0.00 0.00 175.29 174.97 1g9l s GLU 51 N -1.27 4.19 1.04 9.60 2.02 -1.26 -4.77 118.70 128.25 1g9l s GLU 51 Ca 0.17 2.01 -0.11 0.00 0.02 0.00 0.00 54.97 57.06 1g9l s GLU 51 Cb -0.12 -3.92 0.21 0.00 0.10 0.00 0.00 34.13 30.41 1g9l s GLU 51 CO 0.07 -0.81 1.09 -2.14 0.02 0.00 0.00 175.26 173.50 1g9l s PRO 52 N 3.87 0.06 0.41 0.39 0.02 -1.26 -4.98 135.00 133.51 1g9l s PRO 52 Ca 0.67 1.27 -0.23 0.00 0.02 0.00 0.00 61.00 62.73 1g9l s PRO 52 Cb -0.29 -1.64 -0.09 0.00 0.02 0.00 0.00 34.50 32.50 1g9l s PRO 52 CO 0.25 -3.19 1.01 -1.17 -0.33 0.00 0.00 177.00 173.57 1g9l s LEU 53 N -6.93 4.09 0.00 -5.54 2.96 -1.26 -4.90 118.68 107.10 1g9l s LEU 53 Ca 0.68 1.93 0.00 0.00 -0.22 0.00 0.00 54.13 56.52 1g9l s LEU 53 Cb -0.24 -4.28 0.00 0.00 0.50 0.00 0.00 46.19 42.17 1g9l s LEU 53 CO 0.61 -0.45 0.00 0.35 -1.32 0.00 0.00 176.35 175.54 1g9l n THR 54 N -0.21 0.00 -0.12 3.68 -2.24 -1.26 -4.85 114.28 109.28 1g9l n THR 54 Ca 0.06 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.90 1g9l n THR 54 Cb 0.51 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 69.12 1g9l n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g9l h ALA 55 N 2.00 1.73 -0.06 6.98 0.00 -1.62 -1.59 119.26 126.70 1g9l h ALA 55 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1g9l h ALA 55 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1g9l h ALA 55 CO 0.00 0.18 0.04 0.77 0.00 0.00 0.00 179.25 180.24 1g9l h SER 56 N 0.67 0.07 -0.79 0.00 0.02 -1.87 -0.31 113.55 111.33 1g9l h SER 56 Ca 0.26 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.23 1g9l h SER 56 Cb 0.18 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.65 1g9l h SER 56 CO -0.08 0.07 0.50 0.24 -1.14 0.00 0.00 176.83 176.42 1g9l h MET 57 N 0.06 0.93 -0.52 3.45 2.07 -1.73 -2.10 114.93 117.09 1g9l h MET 57 Ca 0.02 -0.06 0.02 0.00 -2.07 0.00 0.00 59.70 57.62 1g9l h MET 57 Cb 0.01 -0.21 -0.03 0.00 -1.87 0.00 0.00 31.60 29.50 1g9l h MET 57 CO -0.00 0.61 0.32 -0.07 1.07 0.00 0.00 176.91 178.84 1g9l h LEU 58 N 0.96 0.52 -1.52 1.22 4.07 -0.87 -1.02 115.31 118.66 1g9l h LEU 58 Ca 0.33 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.29 1g9l h LEU 58 Cb 0.06 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.69 1g9l h LEU 58 CO -0.13 0.37 0.00 0.00 -1.08 0.00 0.00 178.44 177.60 1g9l h ALA 59 N 1.22 1.00 0.00 1.53 0.00 -0.38 -0.81 119.26 121.82 1g9l h ALA 59 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1g9l h ALA 59 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1g9l h ALA 59 CO -0.09 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.61 1g9l n SER 60 N -2.46 0.56 -3.14 0.00 2.88 -0.39 -3.83 113.62 107.25 1g9l n SER 60 Ca -0.01 0.58 -0.21 0.00 -1.33 0.00 0.00 58.87 57.91 1g9l n SER 60 Cb 0.11 -0.72 -0.04 0.00 -0.75 0.00 0.00 64.21 62.81 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 -1.71 2.71 0.05 -1.46 0.00 -0.31 -4.99 120.51 114.80 1g9l n ALA 61 Ca 0.05 -3.74 -0.11 0.00 0.00 0.00 0.00 53.44 49.64 1g9l n ALA 61 Cb 0.33 -0.87 -0.04 0.00 0.00 0.00 0.00 19.45 18.86 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 3.11 -0.31 -0.66 0.00 0.11 -1.66 0.14 132.00 132.73 1g9l h PRO 62 Ca 0.11 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1g9l h PRO 62 Cb 0.85 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1g9l h PRO 62 CO 0.58 -0.20 0.00 -0.35 -0.21 0.00 0.00 178.00 177.82 1g9l n PRO 63 N -5.33 2.75 0.00 1.05 -0.04 -1.26 -4.30 135.00 127.87 1g9l n PRO 63 Ca -0.05 -2.43 0.00 0.00 -0.04 0.00 0.00 63.50 60.98 1g9l n PRO 63 Cb 0.25 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 1g9l n PRO 63 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1g9l n GLN 64 N 1.34 0.00 -1.40 0.54 1.13 -1.04 -4.93 117.38 113.02 1g9l n GLN 64 Ca 0.22 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 55.03 1g9l n GLN 64 Cb 0.62 0.00 0.10 0.00 0.11 0.00 0.00 30.24 31.07 1g9l n GLN 64 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1g9l n GLU 65 N 0.00 2.71 -0.05 -1.09 1.02 -1.10 -4.63 120.64 117.50 1g9l n GLU 65 Ca 0.00 -3.45 -0.04 0.00 -0.02 0.00 0.00 57.16 53.65 1g9l n GLU 65 Cb 0.00 -2.19 0.19 0.00 -0.02 0.00 0.00 31.44 29.41 1g9l n GLU 65 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1g9l h GLN 66 N 1.73 0.64 -0.74 3.49 4.15 -0.92 -2.95 115.11 120.51 1g9l h GLN 66 Ca 0.49 -0.20 -0.54 0.00 0.77 0.00 0.00 58.65 59.17 1g9l h GLN 66 Cb 1.43 -0.06 -0.41 0.00 0.21 0.00 0.00 27.48 28.64 1g9l h GLN 66 CO 1.12 0.74 -0.71 1.63 -1.93 0.00 0.00 178.83 179.68 1g9l n LYS 67 N -4.18 3.51 0.12 1.69 4.01 -1.26 -4.63 118.16 117.42 1g9l n LYS 67 Ca 0.01 -4.09 0.00 0.00 -0.51 0.00 0.00 58.31 53.72 1g9l n LYS 67 Cb 0.34 -2.26 0.00 0.00 -0.51 0.00 0.00 35.03 32.60 1g9l n LYS 67 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1g9l n GLN 68 N -0.73 0.00 0.00 1.97 6.02 -1.17 -4.84 117.38 118.63 1g9l n GLN 68 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.43 1g9l n GLN 68 Cb 0.95 -0.10 0.00 0.00 1.02 0.00 0.00 30.24 32.10 1g9l n GLN 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1g9l n MET 69 N -3.44 0.99 0.05 -1.09 0.00 -1.12 -3.25 117.12 109.27 1g9l n MET 69 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.70 57.49 1g9l n MET 69 Cb 0.01 -1.12 -0.11 0.00 0.00 0.00 0.00 33.22 31.99 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 0.00 0.86 -2.59 3.17 8.10 -1.82 -3.28 115.31 119.75 1g9l h LEU 70 Ca 0.00 -0.77 -0.05 0.00 0.11 0.00 0.00 57.88 57.17 1g9l h LEU 70 Cb 0.12 -0.27 -0.11 0.00 -0.44 0.00 0.00 40.66 39.97 1g9l h LEU 70 CO 0.00 1.53 -0.55 0.61 -4.11 0.00 0.00 178.44 175.92 1g9l n GLY 71 N 1.19 2.05 0.00 0.17 0.00 -1.24 -4.54 105.19 102.83 1g9l n GLY 71 Ca -0.12 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.28 0.83 0.00 1.61 1.02 -1.20 -3.64 120.64 118.98 1g9l n GLU 72 Ca 0.07 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1g9l n GLU 72 Cb 0.81 -0.22 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 1g9l n GLU 72 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1g9l n ARG 73 N -0.12 3.26 0.00 3.49 0.00 -1.24 -4.67 116.66 117.37 1g9l n ARG 73 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 1g9l n ARG 73 Cb 0.05 -0.58 0.56 0.00 0.00 0.00 0.00 32.46 32.49 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 -0.81 0.00 -0.03 6.15 4.77 -1.24 -3.98 117.00 121.86 1g9l n LEU 74 Ca 0.00 0.44 -0.11 0.00 -0.03 0.00 0.00 56.01 56.32 1g9l n LEU 74 Cb 0.00 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 40.60 1g9l n LEU 74 CO 0.00 -0.06 0.62 0.15 -1.33 0.00 0.00 177.39 176.76 1g9l h PHE 75 N 0.00 -1.03 0.00 -1.77 3.57 -1.90 0.33 116.94 116.13 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 0.38 0.48 0.00 0.00 2.79 0.00 0.00 35.95 39.60 1g9l h PHE 75 CO 0.00 -0.43 0.00 -2.30 -2.23 0.00 0.00 178.31 173.35 1g9l n PRO 76 N -5.42 0.01 -0.04 6.41 -0.02 -1.26 -2.08 135.00 132.61 1g9l n PRO 76 Ca -0.03 0.36 -0.14 0.00 -2.02 0.00 0.00 63.50 61.68 1g9l n PRO 76 Cb 0.34 -1.50 -0.14 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 -1.48 1.51 -0.16 2.45 7.99 0.88 -4.26 117.00 123.93 1g9l n LEU 77 Ca 0.02 0.21 -0.08 0.00 -0.01 0.00 0.00 56.01 56.15 1g9l n LEU 77 Cb 0.08 -0.29 0.06 0.00 -0.11 0.00 0.00 43.42 43.16 1g9l n LEU 77 CO 0.07 0.62 0.78 0.40 -1.51 0.00 0.00 177.39 177.74 1g9l h ILE 78 N 0.02 1.26 0.00 -0.08 1.08 -0.24 -2.12 117.51 117.43 1g9l h ILE 78 Ca -0.41 -1.21 0.00 0.00 -0.39 0.00 0.00 64.86 62.84 1g9l h ILE 78 Cb 2.05 0.96 0.00 0.00 -3.07 0.00 0.00 36.82 36.76 1g9l h ILE 78 CO 0.05 0.43 0.41 1.56 -0.69 0.00 0.00 178.15 179.91 1g9l h GLN 79 N 0.85 0.00 0.15 2.37 4.20 -1.72 0.37 115.11 121.33 1g9l h GLN 79 Ca 0.14 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.58 1g9l h GLN 79 Cb 0.63 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.41 1g9l h GLN 79 CO 0.04 0.00 -1.31 0.00 -0.67 0.00 0.00 178.83 176.89 1g9l h ALA 80 N 1.09 0.07 -0.29 3.87 0.00 -1.59 -3.23 119.26 119.18 1g9l h ALA 80 Ca 0.00 -0.97 -0.17 0.00 0.00 0.00 0.00 54.91 53.77 1g9l h ALA 80 Cb 0.83 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1g9l h ALA 80 CO 0.00 0.72 -0.49 0.52 0.00 0.00 0.00 179.25 180.00 1g9l h MET 81 N -0.23 0.80 -6.55 0.00 2.86 -0.38 -3.45 114.93 107.97 1g9l h MET 81 Ca -0.26 -0.47 -0.63 0.00 -2.06 0.00 0.00 59.70 56.27 1g9l h MET 81 Cb 1.81 0.04 -0.21 0.00 0.06 0.00 0.00 31.60 33.31 1g9l h MET 81 CO 0.12 1.10 -0.84 -1.01 1.06 0.00 0.00 176.91 177.34 1g9l s HIS 82 N -4.18 2.11 -0.73 -0.22 3.76 0.07 -4.94 115.29 111.16 1g9l s HIS 82 Ca -0.10 -0.40 -0.27 0.00 -0.15 0.00 0.00 55.06 54.15 1g9l s HIS 82 Cb 0.11 -1.12 -0.25 0.00 1.11 0.00 0.00 32.58 32.43 1g9l s HIS 82 CO 0.87 0.33 1.90 -0.35 -0.85 0.00 0.00 174.74 176.65 1g9l n PRO 83 N 0.79 0.44 -2.32 8.40 -0.04 -1.26 -3.69 135.00 137.32 1g9l n PRO 83 Ca -0.17 -1.62 -0.11 0.00 -0.04 0.00 0.00 63.50 61.56 1g9l n PRO 83 Cb 0.54 -3.36 -0.01 0.00 -0.04 0.00 0.00 33.50 30.63 1g9l n PRO 83 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1g9l n THR 84 N 7.94 -0.46 1.99 0.52 -1.04 -1.22 -4.78 114.28 117.22 1g9l n THR 84 Ca 0.44 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.60 1g9l n THR 84 Cb 0.45 -1.50 0.88 0.00 -1.82 0.00 0.00 70.33 68.34 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 -2.65 0.03 0.00 -4.42 7.99 -1.24 -4.78 117.00 111.93 1g9l n LEU 85 Ca -0.13 -0.01 0.00 0.00 -0.01 0.00 0.00 56.01 55.86 1g9l n LEU 85 Cb 0.57 -0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.88 1g9l n LEU 85 CO 0.15 0.01 0.00 0.00 -1.51 0.00 0.00 177.39 176.04 1g9l n ALA 86 N -0.94 0.00 -0.50 -1.18 0.00 -1.26 -4.59 120.51 112.04 1g9l n ALA 86 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1g9l n ALA 86 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 1.70 1.40 0.00 0.00 0.00 -1.26 -4.40 105.19 102.63 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 0.00 0.00 1.61 3.00 -1.26 -4.96 118.16 114.55 1g9l n LYS 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1g9l n LYS 88 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1g9l n LYS 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1g9l n ILE 89 N -0.14 0.00 -0.29 3.15 5.41 -1.26 0.91 119.36 127.13 1g9l n ILE 89 Ca 0.00 0.89 0.08 0.00 1.00 0.00 0.00 62.75 64.72 1g9l n ILE 89 Cb 0.00 -1.63 0.30 0.00 -0.71 0.00 0.00 39.64 37.60 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 0.94 -0.31 1.39 2.02 -1.91 0.42 112.91 115.46 1g9l h THR 90 Ca 0.00 -0.30 0.09 0.00 0.77 0.00 0.00 66.41 66.97 1g9l h THR 90 Cb 0.00 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 1g9l h THR 90 CO 0.00 0.16 0.24 1.23 0.37 0.00 0.00 175.52 177.52 1g9l h GLY 91 N 0.87 0.00 1.72 2.16 0.00 -1.59 0.31 103.07 106.53 1g9l h GLY 91 Ca 0.43 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.54 1g9l h GLY 91 CO -0.19 0.00 -0.96 1.98 0.00 0.00 0.00 176.54 177.37 1g9l h MET 92 N 0.00 0.24 0.00 4.80 -1.53 0.51 -3.17 114.93 115.78 1g9l h MET 92 Ca 0.15 -0.29 0.00 0.00 -3.44 0.00 0.00 59.70 56.12 1g9l h MET 92 Cb 0.63 0.09 0.00 0.00 -0.55 0.00 0.00 31.60 31.77 1g9l h MET 92 CO -0.00 1.03 0.00 1.28 0.14 0.00 0.00 176.91 179.36 1g9l n LEU 93 N -3.64 0.00 -1.31 3.39 7.99 0.11 0.75 117.00 124.29 1g9l n LEU 93 Ca -0.05 0.26 -0.02 0.00 -0.01 0.00 0.00 56.01 56.19 1g9l n LEU 93 Cb 0.85 -0.26 0.23 0.00 -0.11 0.00 0.00 43.42 44.14 1g9l n LEU 93 CO 0.49 -0.26 0.81 0.18 -1.51 0.00 0.00 177.39 177.11 1g9l n LEU 94 N -1.26 4.63 0.00 2.23 4.32 -1.19 -4.11 117.00 121.62 1g9l n LEU 94 Ca 0.00 -3.43 0.00 0.00 -0.02 0.00 0.00 56.01 52.56 1g9l n LEU 94 Cb 0.00 -0.65 0.00 0.00 -1.62 0.00 0.00 43.42 41.16 1g9l n LEU 94 CO 0.00 0.98 0.00 -1.84 -1.22 0.00 0.00 177.39 175.31 1g9l n GLU 95 N -0.79 0.00 0.00 3.23 0.28 0.23 -5.10 120.64 118.49 1g9l n GLU 95 Ca 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.33 1g9l n GLU 95 Cb 1.11 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.98 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 -4.64 119.36 118.74 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 0.17 -0.04 0.00 0.00 -0.00 0.00 0.00 39.64 39.77 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 -4.77 116.55 119.83 1g9l n ASP 97 Ca 0.00 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1g9l n ASP 97 Cb 0.00 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 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 -1.11 0.00 0.15 1.67 5.03 -1.26 -4.65 115.26 115.09 1g9l n ASN 98 Ca 0.00 0.00 0.02 0.00 0.87 0.00 0.00 54.58 55.47 1g9l n ASN 98 Cb 0.00 -0.01 0.16 0.00 -1.02 0.00 0.00 39.78 38.92 1g9l n ASN 98 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1g9l h SER 99 N 0.00 0.00 1.74 6.41 0.02 -1.98 -2.76 113.55 116.98 1g9l h SER 99 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 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 0.54 -0.26 -0.33 -1.14 0.00 0.00 176.83 175.64 1g9l h GLU 100 N 0.00 0.00 0.00 3.45 4.39 -1.93 -1.13 114.58 119.36 1g9l h GLU 100 Ca -0.01 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1g9l h GLU 100 Cb 1.18 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1g9l h GLU 100 CO 0.07 0.21 -0.38 1.25 -1.16 0.00 0.00 179.01 179.01 1g9l h LEU 101 N 0.00 0.00 0.06 1.33 7.12 -1.65 -2.10 115.31 120.08 1g9l h LEU 101 Ca -0.00 0.00 -0.30 0.00 0.13 0.00 0.00 57.88 57.70 1g9l h LEU 101 Cb 1.17 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.27 1g9l h LEU 101 CO 0.03 0.38 -1.65 0.18 -0.13 0.00 0.00 178.44 177.25 1g9l n LEU 102 N -3.36 2.24 -0.05 2.25 4.32 -1.07 -3.95 117.00 117.37 1g9l n LEU 102 Ca 0.01 0.32 -0.07 0.00 -0.02 0.00 0.00 56.01 56.24 1g9l n LEU 102 Cb 0.58 -1.04 0.11 0.00 -1.62 0.00 0.00 43.42 41.44 1g9l n LEU 102 CO 0.37 0.56 0.68 -0.74 -1.22 0.00 0.00 177.39 177.05 1g9l h HIS 103 N -0.48 0.79 -0.65 -1.77 2.76 -1.29 -1.75 115.15 112.75 1g9l h HIS 103 Ca -0.39 -0.19 0.03 0.00 -2.20 0.00 0.00 60.37 57.62 1g9l h HIS 103 Cb 1.67 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 30.41 1g9l h HIS 103 CO 0.08 0.88 0.43 0.00 -1.30 0.00 0.00 177.93 178.03 1g9l h MET 104 N 0.59 0.76 0.00 5.26 -0.00 -1.56 0.79 114.93 120.77 1g9l h MET 104 Ca 0.08 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 1g9l h MET 104 Cb 0.76 -0.17 0.00 0.00 -0.00 0.00 0.00 31.60 32.19 1g9l h MET 104 CO 0.06 0.50 -0.37 1.28 -0.00 0.00 0.00 176.91 178.39 1g9l n LEU 105 N -4.46 0.39 -0.38 -0.10 4.77 -1.10 -2.80 117.00 113.32 1g9l n LEU 105 Ca 0.08 0.16 0.07 0.00 -0.03 0.00 0.00 56.01 56.29 1g9l n LEU 105 Cb 0.13 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1g9l n LEU 105 CO 0.35 0.07 0.30 -0.62 -1.33 0.00 0.00 177.39 176.16 1g9l n GLU 106 N -1.56 1.62 -3.71 3.23 -0.58 0.34 -4.79 120.64 115.19 1g9l n GLU 106 Ca 0.06 -0.89 -0.11 0.00 -0.42 0.00 0.00 57.16 55.80 1g9l n GLU 106 Cb 0.35 -1.21 -0.11 0.00 -0.57 0.00 0.00 31.44 29.89 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 -1.54 -0.47 0.00 1.62 0.15 0.25 -5.00 113.70 108.70 1g9l s SER 107 Ca 0.13 0.83 0.13 0.00 0.70 0.00 0.00 55.95 57.73 1g9l s SER 107 Cb 0.11 0.73 0.71 0.00 -1.71 0.00 0.00 66.02 65.86 1g9l s SER 107 CO 0.30 -0.18 1.23 -2.65 1.20 0.00 0.00 173.24 173.14 1g9l n PRO 108 N 4.06 0.32 -0.01 5.44 -0.02 -1.26 -2.18 135.00 141.35 1g9l n PRO 108 Ca -0.22 0.06 -0.01 0.00 -2.02 0.00 0.00 63.50 61.31 1g9l n PRO 108 Cb 0.55 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.51 1g9l n PRO 108 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1g9l n GLU 109 N -1.10 3.04 -0.21 -0.52 2.13 -1.26 -4.61 120.64 118.11 1g9l n GLU 109 Ca 0.08 -0.01 -0.07 0.00 0.66 0.00 0.00 57.16 57.83 1g9l n GLU 109 Cb 0.06 -1.07 0.03 0.00 0.27 0.00 0.00 31.44 30.73 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 0.79 0.00 4.31 0.02 -1.67 1.03 113.55 118.04 1g9l h SER 110 Ca -0.06 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 1g9l h SER 110 Cb 1.02 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 1g9l h SER 110 CO 0.00 0.71 -0.03 0.25 -1.14 0.00 0.00 176.83 176.63 1g9l h LEU 111 N 0.82 0.07 0.00 5.07 6.46 -1.64 0.17 115.31 126.25 1g9l h LEU 111 Ca 0.20 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 1g9l h LEU 111 Cb 0.14 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.06 1g9l h LEU 111 CO -0.02 0.11 -0.31 -0.09 -0.62 0.00 0.00 178.44 177.51 1g9l h ARG 112 N 0.08 0.00 -1.02 1.25 2.43 -1.59 -2.90 114.38 112.62 1g9l h ARG 112 Ca 0.02 0.00 0.25 0.00 -0.81 0.00 0.00 59.98 59.44 1g9l h ARG 112 Cb 0.10 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.56 1g9l h ARG 112 CO 0.00 0.00 0.65 0.77 -1.51 0.00 0.00 179.97 179.89 1g9l h SER 113 N -0.65 0.49 0.57 -3.80 0.02 0.10 0.22 113.55 110.51 1g9l h SER 113 Ca 0.00 0.08 -0.28 0.00 -0.84 0.00 0.00 61.79 60.75 1g9l h SER 113 Cb 0.31 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.86 1g9l h SER 113 CO 0.00 0.11 -1.29 0.11 -1.14 0.00 0.00 176.83 174.63 1g9l h LYS 114 N 0.44 0.31 0.02 3.45 1.79 -0.80 -2.99 116.57 118.80 1g9l h LYS 114 Ca 0.59 -0.53 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1g9l h LYS 114 Cb 1.40 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 32.25 1g9l h LYS 114 CO -0.31 1.25 -0.01 0.28 -1.08 0.00 0.00 179.45 179.59 1g9l h VAL 115 N 0.09 1.00 -0.84 0.50 2.07 -0.49 0.46 116.25 119.03 1g9l h VAL 115 Ca -0.15 -0.07 0.10 0.00 0.82 0.00 0.00 66.70 67.40 1g9l h VAL 115 Cb 2.00 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 32.76 1g9l h VAL 115 CO 0.21 0.02 0.55 -0.78 0.02 0.00 0.00 177.57 177.59 1g9l h ASP 116 N -0.06 0.70 -0.22 0.57 3.58 -0.92 0.80 116.42 120.88 1g9l h ASP 116 Ca -0.00 0.02 -0.20 0.00 0.42 0.00 0.00 57.03 57.27 1g9l h ASP 116 Cb 0.05 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.98 1g9l h ASP 116 CO 0.01 0.41 -0.62 -0.08 -2.88 0.00 0.00 179.24 176.07 1g9l h GLU 117 N 0.78 0.83 0.00 0.28 4.81 -1.26 -2.76 114.58 117.26 1g9l h GLU 117 Ca 0.39 -0.58 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1g9l h GLU 117 Cb 0.47 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 1g9l h GLU 117 CO -0.16 1.20 -0.05 0.00 -0.73 0.00 0.00 179.01 179.27 1g9l h ALA 118 N 0.66 1.52 0.38 2.92 0.00 0.19 -1.77 119.26 123.16 1g9l h ALA 118 Ca -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1g9l h ALA 118 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1g9l h ALA 118 CO 0.13 0.06 -0.20 0.28 0.00 0.00 0.00 179.25 179.53 1g9l h VAL 119 N 0.00 0.60 -0.37 0.00 2.07 -0.64 0.94 116.25 118.85 1g9l h VAL 119 Ca -0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1g9l h VAL 119 Cb 0.12 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1g9l h VAL 119 CO 0.01 0.00 0.37 0.00 0.02 0.00 0.00 177.57 177.97 1g9l h ALA 120 N 0.09 2.09 0.02 1.67 0.00 -1.31 0.33 119.26 122.15 1g9l h ALA 120 Ca -0.05 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.58 1g9l h ALA 120 Cb 0.42 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1g9l h ALA 120 CO 0.07 -0.56 -1.44 0.28 0.00 0.00 0.00 179.25 177.61 1g9l h VAL 121 N 0.00 1.19 -0.11 0.00 2.07 -0.74 -3.06 116.25 115.60 1g9l h VAL 121 Ca 0.17 -2.96 -0.20 0.00 0.82 0.00 0.00 66.70 64.53 1g9l h VAL 121 Cb 0.91 2.62 0.01 0.00 -1.52 0.00 0.00 31.29 33.31 1g9l h VAL 121 CO -0.00 0.72 -0.72 0.17 0.02 0.00 0.00 177.57 177.75 1g9l h LEU 122 N 0.01 0.82 -1.29 2.57 8.10 0.43 0.13 115.31 126.08 1g9l h LEU 122 Ca -0.18 -0.66 -0.04 0.00 0.11 0.00 0.00 57.88 57.11 1g9l h LEU 122 Cb 1.93 -0.24 -0.02 0.00 -0.44 0.00 0.00 40.66 41.89 1g9l h LEU 122 CO 0.11 1.35 0.04 1.56 -4.11 0.00 0.00 178.44 177.39 1g9l h GLN 123 N 0.35 0.52 0.02 0.17 1.08 -0.66 0.87 115.11 117.45 1g9l h GLN 123 Ca -0.06 -0.10 -0.21 0.00 -1.45 0.00 0.00 58.65 56.83 1g9l h GLN 123 Cb 1.37 -0.08 0.02 0.00 -0.05 0.00 0.00 27.48 28.73 1g9l h GLN 123 CO 0.15 0.52 -0.83 0.00 -0.95 0.00 0.00 178.83 177.71 1g9l h ALA 124 N 1.54 0.07 0.00 3.87 0.00 -1.46 -2.16 119.26 121.13 1g9l h ALA 124 Ca 0.11 -0.64 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1g9l h ALA 124 Cb 0.27 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1g9l h ALA 124 CO 0.00 0.50 -0.21 1.25 0.00 0.00 0.00 179.25 180.79 1g9l h HIS 125 N 0.09 0.00 0.09 0.00 -0.00 -0.38 1.39 115.15 116.34 1g9l h HIS 125 Ca -0.11 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.08 1g9l h HIS 125 Cb 1.53 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.94 1g9l h HIS 125 CO 0.13 0.21 -0.85 1.96 -0.00 0.00 0.00 177.93 179.38 1g9l h GLN 126 N 0.00 0.18 0.02 5.26 4.20 -0.86 -3.42 115.11 120.49 1g9l h GLN 126 Ca -0.00 -0.31 -0.37 0.00 0.06 0.00 0.00 58.65 58.02 1g9l h GLN 126 Cb 0.60 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.44 1g9l h GLN 126 CO 0.03 1.15 -2.10 0.00 -0.67 0.00 0.00 178.83 177.24 1g9l n ALA 127 N -2.83 1.08 -2.02 3.87 0.00 -0.81 -5.01 120.51 114.79 1g9l n ALA 127 Ca -0.18 -0.86 -0.22 0.00 0.00 0.00 0.00 53.44 52.18 1g9l n ALA 127 Cb 0.75 -0.22 0.09 0.00 0.00 0.00 0.00 19.45 20.08 1g9l n ALA 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1g9l s LYS 128 N -2.48 1.90 -0.73 0.00 -2.85 0.48 -5.00 119.74 111.07 1g9l s LYS 128 Ca -0.33 -1.46 -0.04 0.00 -1.00 0.00 0.00 55.97 53.14 1g9l s LYS 128 Cb 0.10 -2.48 0.09 0.00 -2.06 0.00 0.00 37.83 33.47 1g9l s LYS 128 CO 0.58 -1.23 2.64 0.39 0.10 0.00 0.00 175.35 177.82 1g9l n GLU 129 N -2.58 3.12 0.00 1.78 1.02 -1.24 -4.17 120.64 118.57 1g9l n GLU 129 Ca 0.16 -2.73 0.00 0.00 -0.02 0.00 0.00 57.16 54.57 1g9l n GLU 129 Cb 0.61 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1g9l n ALA 130 N 1.10 -0.33 -2.47 0.62 0.00 -1.22 -4.55 120.51 113.67 1g9l n ALA 130 Ca 0.53 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.54 1g9l n ALA 130 Cb 0.45 0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.83 3.65 -0.07 0.00 0.00 -1.26 -4.98 121.76 116.27 1g9l s ALA 131 Ca 0.00 0.42 -0.08 0.00 0.00 0.00 0.00 51.96 52.30 1g9l s ALA 131 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1g9l s ALA 131 CO 0.00 -1.12 0.22 -0.65 0.00 0.00 0.00 175.76 174.21 1g9l s GLN 132 N 3.34 3.55 0.00 0.00 -1.52 -1.26 -4.97 119.66 118.79 1g9l s GLN 132 Ca 0.53 -0.04 0.17 0.00 -1.95 0.00 0.00 55.36 54.08 1g9l s GLN 132 Cb -0.21 -3.17 0.82 0.00 -0.22 0.00 0.00 33.01 30.24 1g9l s GLN 132 CO 0.14 0.73 1.53 1.17 -0.25 0.00 0.00 175.29 178.61 1g9l n LYS 133 N 1.71 0.16 -2.86 2.91 3.00 -1.26 -4.54 118.16 117.27 1g9l n LYS 133 Ca -0.17 0.15 -0.43 0.00 -0.00 0.00 0.00 58.31 57.87 1g9l n LYS 133 Cb 0.54 -1.50 -0.04 0.00 0.00 0.00 0.00 35.03 34.03 1g9l n LYS 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1g9l s ALA 134 N -2.73 3.13 -0.39 3.14 0.00 -1.26 -4.86 121.76 118.79 1g9l s ALA 134 Ca 0.13 -1.66 0.22 0.00 0.00 0.00 0.00 51.96 50.66 1g9l s ALA 134 Cb 0.12 -3.81 0.31 0.00 0.00 0.00 0.00 23.12 19.74 1g9l s ALA 134 CO 0.28 -2.64 1.59 -0.24 0.00 0.00 0.00 175.76 174.75 1g9l h VAL 135 N 5.98 0.14 -1.41 0.00 3.04 -2.04 -3.44 116.25 118.53 1g9l h VAL 135 Ca -0.28 -1.19 0.00 0.00 -1.01 0.00 0.00 66.70 64.23 1g9l h VAL 135 Cb 1.07 2.06 0.00 0.00 -2.01 0.00 0.00 31.29 32.41 1g9l h VAL 135 CO 1.15 0.08 0.00 -3.20 -1.01 0.00 0.00 177.57 174.58 1g9l n ASN 136 N -3.12 -0.39 -1.90 3.17 4.05 -1.26 -4.89 115.26 110.91 1g9l n ASN 136 Ca 0.04 -0.49 -0.16 0.00 0.45 0.00 0.00 54.58 54.41 1g9l n ASN 136 Cb 0.56 0.00 0.03 0.00 1.23 0.00 0.00 39.78 41.60 1g9l n ASN 136 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1g9l n SER 137 N -2.06 6.39 0.08 1.20 7.64 -1.26 -4.27 113.62 121.34 1g9l n SER 137 Ca 0.00 -3.02 -0.21 0.00 1.01 0.00 0.00 58.87 56.65 1g9l n SER 137 Cb 0.00 -1.08 -0.15 0.00 -1.01 0.00 0.00 64.21 61.97 1g9l n SER 137 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g9l h ALA 138 N 1.55 0.15 -0.50 -0.43 0.00 -1.90 -3.31 119.26 114.82 1g9l h ALA 138 Ca 0.28 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1g9l h ALA 138 Cb 0.91 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1g9l h ALA 138 CO 0.71 1.02 0.00 -2.37 0.00 0.00 0.00 179.25 178.61 1g9l n THR 139 N -3.55 2.17 -1.81 0.00 5.66 -1.26 -4.68 114.28 110.80 1g9l n THR 139 Ca -0.20 -1.14 -0.40 0.00 -3.05 0.00 0.00 64.05 59.26 1g9l n THR 139 Cb 1.07 -0.24 -0.01 0.00 -1.55 0.00 0.00 70.33 69.60 1g9l n THR 139 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1g9l n GLY 140 N 0.63 4.86 3.72 1.09 0.00 -1.25 -4.96 105.19 109.27 1g9l n GLY 140 Ca 0.23 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 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 0.15 4.71 1.17 1.61 0.11 -1.26 -5.04 120.40 121.85 1g9l s VAL 141 Ca 0.57 2.05 -0.14 0.00 -2.93 0.00 0.00 61.98 61.53 1g9l s VAL 141 Cb 0.17 -4.31 0.28 0.00 -1.53 0.00 0.00 36.38 30.99 1g9l s VAL 141 CO -0.08 0.22 1.03 -2.16 -3.33 0.00 0.00 175.10 170.79 1g9l s PRO 142 N 0.60 -0.98 0.60 1.54 0.04 -1.26 -5.01 135.00 130.54 1g9l s PRO 142 Ca 0.50 0.60 -0.13 0.00 0.04 0.00 0.00 61.00 62.00 1g9l s PRO 142 Cb -0.22 -1.57 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 1g9l s PRO 142 CO 0.29 -3.70 1.03 -0.08 0.04 0.00 0.00 177.00 174.58 1g9l s THR 143 N -2.58 4.31 0.00 1.26 -1.32 -1.26 -5.29 115.64 110.75 1g9l s THR 143 Ca 0.68 0.91 0.00 0.00 -1.21 0.00 0.00 61.69 62.07 1g9l s THR 143 Cb -0.21 -3.61 0.00 0.00 -1.51 0.00 0.00 72.50 67.16 1g9l s THR 143 CO 0.62 -0.82 0.33 1.33 -2.21 0.00 0.00 174.62 173.87