#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 0.36 -5.88 1.61 0.11 -2.08 -3.48 132.00 122.64 1g9l h PRO 2 Ca 0.00 -0.26 -0.63 0.00 0.11 0.00 0.00 66.00 65.22 1g9l h PRO 2 Cb 0.00 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 31.09 1g9l h PRO 2 CO 0.00 0.88 -0.31 -0.51 -0.21 0.00 0.00 178.00 177.85 1g9l s LEU 3 N -8.81 4.44 -0.78 2.35 1.02 -1.26 -5.05 118.68 110.59 1g9l s LEU 3 Ca -0.14 0.77 -0.12 0.00 0.02 0.00 0.00 54.13 54.66 1g9l s LEU 3 Cb 0.04 -2.42 0.20 0.00 0.02 0.00 0.00 46.19 44.04 1g9l s LEU 3 CO 0.77 0.35 0.70 -0.83 0.02 0.00 0.00 176.35 177.36 1g9l s GLY 4 N -1.11 2.61 -0.73 -3.19 0.00 -1.26 -4.93 107.32 98.71 1g9l s GLY 4 Ca 0.21 -3.28 -0.04 0.00 0.00 0.00 0.00 44.72 41.62 1g9l s GLY 4 CO 0.10 1.23 2.48 -1.26 0.00 0.00 0.00 173.10 175.65 1g9l n SER 5 N 3.94 7.04 -1.17 1.64 2.88 -1.26 -4.97 113.62 121.71 1g9l n SER 5 Ca 0.12 -3.36 0.11 0.00 -1.33 0.00 0.00 58.87 54.40 1g9l n SER 5 Cb 0.45 -1.22 -0.06 0.00 -0.75 0.00 0.00 64.21 62.63 1g9l n SER 5 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g9l n ALA 6 N 0.66 -2.75 -1.81 -1.46 0.00 -1.26 -4.99 120.51 108.89 1g9l n ALA 6 Ca 0.52 0.68 -0.03 0.00 0.00 0.00 0.00 53.44 54.62 1g9l n ALA 6 Cb 0.41 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 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 -3.57 2.00 -0.96 0.00 0.00 -1.26 -5.09 120.51 111.63 1g9l n ALA 7 Ca -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1g9l n ALA 7 Cb 0.52 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1g9l n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 8 N 0.00 0.00 -2.00 0.00 0.00 -1.26 -4.10 120.51 113.15 1g9l n ALA 8 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1g9l n ALA 8 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1g9l n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 9 N 6.46 0.41 -2.70 0.00 0.00 -1.26 -5.11 120.51 118.31 1g9l n ALA 9 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1g9l n ALA 9 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1g9l n ALA 9 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1g9l n THR 10 N 0.00 0.00 -0.52 0.00 5.66 -1.26 -5.03 114.28 113.14 1g9l n THR 10 Ca 0.00 -0.50 -0.04 0.00 -3.05 0.00 0.00 64.05 60.46 1g9l n THR 10 Cb 0.00 0.76 0.01 0.00 -1.55 0.00 0.00 70.33 69.55 1g9l n THR 10 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1g9l n PRO 11 N 2.66 1.17 -2.65 1.09 -0.04 -1.26 -4.84 135.00 131.14 1g9l n PRO 11 Ca 0.13 -0.34 -0.42 0.00 -0.04 0.00 0.00 63.50 62.84 1g9l n PRO 11 Cb 0.62 -1.13 -0.03 0.00 -0.04 0.00 0.00 33.50 32.92 1g9l n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1g9l s ALA 12 N -0.39 2.87 -0.82 0.55 0.00 -1.26 -4.94 121.76 117.76 1g9l s ALA 12 Ca 0.07 -1.78 -0.05 0.00 0.00 0.00 0.00 51.96 50.19 1g9l s ALA 12 Cb 0.05 -4.22 0.21 0.00 0.00 0.00 0.00 23.12 19.16 1g9l s ALA 12 CO -0.00 -3.23 0.71 0.08 0.00 0.00 0.00 175.76 173.32 1g9l s VAL 13 N 4.97 4.61 0.24 0.00 1.01 -1.26 -5.06 120.40 124.91 1g9l s VAL 13 Ca 0.35 -3.25 -0.30 0.00 0.00 0.00 0.00 61.98 58.78 1g9l s VAL 13 Cb -0.08 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 1g9l s VAL 13 CO 0.06 -1.02 1.25 -0.60 0.00 0.00 0.00 175.10 174.79 1g9l s ARG 14 N -0.63 4.45 -0.16 2.72 3.52 -1.26 -5.00 118.95 122.58 1g9l s ARG 14 Ca 0.23 2.00 -0.19 0.00 -0.13 0.00 0.00 55.73 57.64 1g9l s ARG 14 Cb -0.12 -3.18 -0.03 0.00 -1.56 0.00 0.00 34.95 30.06 1g9l s ARG 14 CO -0.08 -0.12 0.54 0.95 -0.81 0.00 0.00 175.30 175.79 1g9l s THR 15 N -0.43 5.11 -0.10 4.11 -4.23 -1.26 -5.07 115.64 113.77 1g9l s THR 15 Ca 0.52 1.04 -0.01 0.00 -1.18 0.00 0.00 61.69 62.06 1g9l s THR 15 Cb -0.35 -3.87 -0.03 0.00 1.34 0.00 0.00 72.50 69.58 1g9l s THR 15 CO 0.42 0.21 -0.05 0.68 -0.54 0.00 0.00 174.62 175.34 1g9l s VAL 16 N 1.33 3.87 -0.02 2.29 -7.23 -1.26 -5.08 120.40 114.29 1g9l s VAL 16 Ca 0.27 -0.40 -0.30 0.00 -1.81 0.00 0.00 61.98 59.74 1g9l s VAL 16 Cb -0.16 -2.63 -0.06 0.00 0.56 0.00 0.00 36.38 34.09 1g9l s VAL 16 CO 0.11 0.56 1.66 -2.16 -0.31 0.00 0.00 175.10 174.96 1g9l s PRO 17 N -0.41 4.19 -0.91 4.82 0.04 -1.26 -4.93 135.00 136.54 1g9l s PRO 17 Ca 0.07 2.23 -0.25 0.00 0.04 0.00 0.00 61.00 63.09 1g9l s PRO 17 Cb -0.12 -3.91 0.04 0.00 0.04 0.00 0.00 34.50 30.55 1g9l s PRO 17 CO 0.02 -0.82 1.41 -0.65 0.04 0.00 0.00 177.00 177.00 1g9l s GLN 18 N 3.73 3.40 -0.10 4.56 -0.21 -1.26 -4.97 119.66 124.81 1g9l s GLN 18 Ca 0.74 -0.75 -0.29 0.00 0.02 0.00 0.00 55.36 55.08 1g9l s GLN 18 Cb -0.35 -4.91 -0.04 0.00 1.00 0.00 0.00 33.01 28.71 1g9l s GLN 18 CO 0.31 -2.23 1.58 0.71 -2.12 0.00 0.00 175.29 173.54 1g9l s TYR 19 N 5.47 2.14 -0.59 0.91 2.02 -1.26 -4.90 117.35 121.15 1g9l s TYR 19 Ca 0.43 0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 57.51 1g9l s TYR 19 Cb -0.03 -3.85 0.36 0.00 -0.40 0.00 0.00 41.96 38.04 1g9l s TYR 19 CO -0.00 -3.33 2.07 1.63 -1.57 0.00 0.00 175.55 174.35 1g9l n LYS 20 N 7.13 2.46 -0.32 -0.62 4.76 -1.26 -4.50 118.16 125.80 1g9l n LYS 20 Ca 0.17 -2.83 0.04 0.00 -2.87 0.00 0.00 58.31 52.82 1g9l n LYS 20 Cb 0.44 -2.11 0.16 0.00 -1.84 0.00 0.00 35.03 31.68 1g9l n LYS 20 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1g9l n TYR 21 N -0.48 0.75 -0.77 2.13 4.02 -1.26 -4.84 117.16 116.72 1g9l n TYR 21 Ca 0.53 -0.28 0.00 0.00 -0.01 0.00 0.00 57.90 58.14 1g9l n TYR 21 Cb 0.59 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.72 1g9l n TYR 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1g9l n ALA 22 N 0.32 0.00 -1.51 -0.72 0.00 -1.26 -4.90 120.51 112.44 1g9l n ALA 22 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.27 1g9l n ALA 22 Cb 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.93 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 -3.00 6.67 -1.90 0.00 0.00 -1.26 -4.82 120.51 116.21 1g9l n ALA 23 Ca 0.00 -3.15 -0.42 0.00 0.00 0.00 0.00 53.44 49.88 1g9l n ALA 23 Cb 0.00 -2.50 -0.00 0.00 0.00 0.00 0.00 19.45 16.95 1g9l n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g9l n GLY 24 N 1.75 4.59 0.00 0.00 0.00 -1.26 -4.36 105.19 105.91 1g9l n GLY 24 Ca 0.55 -1.79 0.05 0.00 0.00 0.00 0.00 46.02 44.83 1g9l n GLY 24 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1g9l n VAL 25 N 4.03 0.00 0.52 1.61 0.24 -1.26 -4.45 118.33 119.02 1g9l n VAL 25 Ca 0.52 -0.27 0.12 0.00 -2.04 0.00 0.00 64.34 62.68 1g9l n VAL 25 Cb 0.35 0.85 0.28 0.00 -1.47 0.00 0.00 33.84 33.84 1g9l n VAL 25 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1g9l h ARG 26 N 0.00 0.00 -5.80 7.34 3.08 -2.02 -3.45 114.38 113.53 1g9l h ARG 26 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 1g9l h ARG 26 Cb 0.27 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 1g9l h ARG 26 CO 0.00 0.00 -0.36 1.21 -1.07 0.00 0.00 179.97 179.75 1g9l s ASN 27 N -4.73 6.57 0.61 7.04 2.47 -1.26 -3.23 114.94 122.40 1g9l s ASN 27 Ca 0.08 0.68 -0.16 0.00 0.42 0.00 0.00 52.86 53.88 1g9l s ASN 27 Cb 0.11 -2.15 -0.03 0.00 -1.45 0.00 0.00 41.25 37.74 1g9l s ASN 27 CO 0.66 0.37 1.09 -2.84 -3.72 0.00 0.00 177.10 172.66 1g9l s PRO 28 N -1.04 3.14 0.00 0.43 0.02 -1.26 -5.08 135.00 131.21 1g9l s PRO 28 Ca 0.19 1.35 0.00 0.00 0.02 0.00 0.00 61.00 62.56 1g9l s PRO 28 Cb -0.14 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.38 1g9l s PRO 28 CO 0.08 -0.98 0.00 1.04 -0.33 0.00 0.00 177.00 176.81 1g9l n GLN 29 N -2.02 0.00 -3.45 5.54 6.02 -1.20 -4.90 117.38 117.37 1g9l n GLN 29 Ca 0.10 0.01 -0.43 0.00 -0.01 0.00 0.00 57.00 56.67 1g9l n GLN 29 Cb 0.52 -0.20 -0.10 0.00 1.02 0.00 0.00 30.24 31.48 1g9l n GLN 29 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1g9l s GLN 30 N -0.08 2.97 0.00 -1.09 2.00 -1.26 -4.90 119.66 117.29 1g9l s GLN 30 Ca 0.00 -1.08 0.22 0.00 -2.00 0.00 0.00 55.36 52.49 1g9l s GLN 30 Cb 0.00 -4.00 0.61 0.00 0.80 0.00 0.00 33.01 30.43 1g9l s GLN 30 CO 0.00 -0.80 1.51 -2.39 -0.50 0.00 0.00 175.29 173.11 1g9l n HIS 31 N 5.16 0.93 0.00 1.67 1.44 -1.26 -4.09 115.22 119.07 1g9l n HIS 31 Ca -0.11 -0.49 0.00 0.00 -2.01 0.00 0.00 57.72 55.10 1g9l n HIS 31 Cb 0.46 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.57 1g9l n HIS 31 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1g9l n LEU 32 N 1.55 0.16 -3.05 2.39 0.00 -1.26 -4.75 117.00 112.04 1g9l n LEU 32 Ca 0.23 0.03 -0.37 0.00 0.00 0.00 0.00 56.01 55.91 1g9l n LEU 32 Cb 0.61 -0.27 0.02 0.00 0.00 0.00 0.00 43.42 43.77 1g9l n LEU 32 CO 0.16 -0.27 1.15 -0.46 0.00 0.00 0.00 177.39 177.96 1g9l n ASN 33 N -1.96 6.70 -2.49 1.96 0.23 -1.26 -5.02 115.26 113.43 1g9l n ASN 33 Ca 0.00 -3.76 0.00 0.00 -0.53 0.00 0.00 54.58 50.29 1g9l n ASN 33 Cb 0.00 -0.94 0.00 0.00 -2.08 0.00 0.00 39.78 36.76 1g9l n ASN 33 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1g9l n ALA 34 N -0.37 0.00 -3.53 -2.53 0.00 -1.26 -5.00 120.51 107.82 1g9l n ALA 34 Ca 0.47 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.50 1g9l n ALA 34 Cb 0.33 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.70 1g9l n ALA 34 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1g9l s GLN 35 N -2.42 2.74 0.00 0.00 -1.52 -1.26 -4.92 119.66 112.28 1g9l s GLN 35 Ca 0.00 -2.05 0.16 0.00 -1.95 0.00 0.00 55.36 51.53 1g9l s GLN 35 Cb 0.00 -4.01 0.71 0.00 -0.22 0.00 0.00 33.01 29.49 1g9l s GLN 35 CO 0.00 -1.22 1.53 -0.35 -0.25 0.00 0.00 175.29 175.00 1g9l n PRO 36 N 4.47 0.01 -3.19 2.91 -0.04 -1.26 -4.39 135.00 133.51 1g9l n PRO 36 Ca -0.01 0.21 -0.46 0.00 -0.04 0.00 0.00 63.50 63.20 1g9l n PRO 36 Cb 0.41 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 1g9l n PRO 36 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1g9l s GLN 37 N -2.98 3.53 0.00 0.54 -1.52 -1.26 -4.83 119.66 113.14 1g9l s GLN 37 Ca 0.08 -2.14 0.25 0.00 -1.95 0.00 0.00 55.36 51.60 1g9l s GLN 37 Cb 0.11 -4.55 0.99 0.00 -0.22 0.00 0.00 33.01 29.34 1g9l s GLN 37 CO 0.30 -1.45 1.70 1.33 -0.25 0.00 0.00 175.29 176.91 1g9l n VAL 38 N 4.60 0.09 -0.03 1.09 0.24 -1.26 -3.89 118.33 119.16 1g9l n VAL 38 Ca 0.14 -0.26 -0.03 0.00 -2.04 0.00 0.00 64.34 62.15 1g9l n VAL 38 Cb 0.47 0.32 0.16 0.00 -1.47 0.00 0.00 33.84 33.31 1g9l n VAL 38 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1g9l n THR 39 N 0.08 1.70 -2.80 3.34 -1.04 -1.26 -4.89 114.28 109.42 1g9l n THR 39 Ca 0.18 -0.82 0.00 0.00 -2.04 0.00 0.00 64.05 61.37 1g9l n THR 39 Cb 0.31 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.28 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 0.05 0.92 0.00 -2.82 1.56 -1.25 -5.13 117.12 110.44 1g9l n MET 40 Ca 0.21 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.64 1g9l n MET 40 Cb 0.88 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.25 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 -0.99 1.21 -3.86 2.12 1.13 -1.26 -5.02 117.38 110.70 1g9l n GLN 41 Ca 0.00 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.78 1g9l n GLN 41 Cb 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 30.23 1g9l n GLN 41 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1g9l s GLN 42 N 0.00 2.33 -1.01 -1.09 -0.21 -1.26 -5.04 119.66 113.38 1g9l s GLN 42 Ca 0.00 -3.23 -0.24 0.00 0.02 0.00 0.00 55.36 51.91 1g9l s GLN 42 Cb 0.00 -3.27 -0.06 0.00 1.00 0.00 0.00 33.01 30.68 1g9l s GLN 42 CO 0.00 -1.29 1.94 -1.25 -2.12 0.00 0.00 175.29 172.57 1g9l s PRO 43 N -1.30 2.55 -0.23 2.91 0.04 -1.26 -4.81 135.00 132.90 1g9l s PRO 43 Ca 0.25 -0.62 -0.02 0.00 0.04 0.00 0.00 61.00 60.65 1g9l s PRO 43 Cb -0.05 -5.13 0.07 0.00 0.04 0.00 0.00 34.50 29.43 1g9l s PRO 43 CO -0.16 -3.59 2.36 0.00 0.04 0.00 0.00 177.00 175.66 1g9l n ALA 44 N 14.07 5.28 1.14 8.56 0.00 -1.26 -4.27 120.51 144.03 1g9l n ALA 44 Ca 0.42 -1.56 0.11 0.00 0.00 0.00 0.00 53.44 52.40 1g9l n ALA 44 Cb 0.47 -1.56 0.35 0.00 0.00 0.00 0.00 19.45 18.72 1g9l n ALA 44 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1g9l n VAL 45 N 0.99 0.24 -0.48 0.00 0.24 -1.26 -3.81 118.33 114.24 1g9l n VAL 45 Ca 0.28 -0.39 0.08 0.00 -2.04 0.00 0.00 64.34 62.28 1g9l n VAL 45 Cb 0.60 0.44 0.34 0.00 -1.47 0.00 0.00 33.84 33.75 1g9l n VAL 45 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1g9l n HIS 46 N 0.44 1.48 -3.63 6.34 8.25 -1.26 -4.94 115.22 121.91 1g9l n HIS 46 Ca 0.16 -0.57 -0.35 0.00 -0.26 0.00 0.00 57.72 56.71 1g9l n HIS 46 Cb 0.36 -0.28 -0.05 0.00 1.12 0.00 0.00 29.99 31.14 1g9l n HIS 46 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1g9l s VAL 47 N -1.97 5.15 0.50 1.59 0.11 -1.25 -5.09 120.40 119.44 1g9l s VAL 47 Ca 0.48 0.37 -0.11 0.00 -2.93 0.00 0.00 61.98 59.79 1g9l s VAL 47 Cb 0.32 -3.63 -0.06 0.00 -1.53 0.00 0.00 36.38 31.49 1g9l s VAL 47 CO 0.21 0.31 0.89 -1.10 -3.33 0.00 0.00 175.10 172.09 1g9l s GLN 48 N -1.86 3.74 -0.65 1.54 -0.21 -1.26 -5.00 119.66 115.96 1g9l s GLN 48 Ca 0.31 0.62 -0.27 0.00 0.02 0.00 0.00 55.36 56.04 1g9l s GLN 48 Cb -0.14 -2.25 0.03 0.00 1.00 0.00 0.00 33.01 31.66 1g9l s GLN 48 CO 0.18 -0.25 1.21 0.20 -2.12 0.00 0.00 175.29 174.51 1g9l s GLY 49 N -3.54 1.05 -0.67 3.09 0.00 -1.26 -4.96 107.32 101.03 1g9l s GLY 49 Ca 0.53 -1.10 -0.08 0.00 0.00 0.00 0.00 44.72 44.07 1g9l s GLY 49 CO 0.39 2.53 0.54 -0.86 0.00 0.00 0.00 173.10 175.71 1g9l s GLN 50 N 5.22 2.94 -0.35 2.90 -2.07 -1.26 -5.05 119.66 121.98 1g9l s GLN 50 Ca 0.38 -2.34 -0.24 0.00 -1.82 0.00 0.00 55.36 51.34 1g9l s GLN 50 Cb -0.08 -4.04 0.01 0.00 -1.09 0.00 0.00 33.01 27.81 1g9l s GLN 50 CO 0.20 -1.22 0.83 -1.21 -1.32 0.00 0.00 175.29 172.57 1g9l s GLU 51 N 0.33 3.82 0.72 9.60 2.02 -1.26 -5.05 118.70 128.89 1g9l s GLU 51 Ca 0.15 0.46 -0.10 0.00 0.02 0.00 0.00 54.97 55.50 1g9l s GLU 51 Cb -0.18 -3.79 0.04 0.00 0.10 0.00 0.00 34.13 30.30 1g9l s GLU 51 CO -0.05 -0.85 1.08 -1.25 0.02 0.00 0.00 175.26 174.21 1g9l s PRO 52 N 3.20 2.52 0.22 0.39 0.04 -1.26 -5.07 135.00 135.05 1g9l s PRO 52 Ca 0.34 0.19 -0.09 0.00 0.04 0.00 0.00 61.00 61.48 1g9l s PRO 52 Cb -0.13 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 1g9l s PRO 52 CO 0.17 -1.17 0.54 -1.17 0.04 0.00 0.00 177.00 175.40 1g9l s LEU 53 N -5.35 4.17 0.00 -3.56 2.96 -1.26 -4.94 118.68 110.70 1g9l s LEU 53 Ca 0.59 0.89 0.00 0.00 -0.22 0.00 0.00 54.13 55.39 1g9l s LEU 53 Cb -0.11 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 42.93 1g9l s LEU 53 CO 0.49 -0.07 0.00 0.35 -1.32 0.00 0.00 176.35 175.80 1g9l n THR 54 N -0.14 0.00 -0.26 3.68 -2.24 -1.26 -4.92 114.28 109.14 1g9l n THR 54 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.83 1g9l n THR 54 Cb 0.52 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.93 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 1.07 -0.00 6.98 0.00 -1.65 -0.22 119.26 127.43 1g9l h ALA 55 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1g9l h ALA 55 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1g9l h ALA 55 CO 0.00 -0.14 -0.09 0.77 0.00 0.00 0.00 179.25 179.79 1g9l h SER 56 N 0.52 -0.25 -0.89 0.00 0.02 -1.87 0.89 113.55 111.96 1g9l h SER 56 Ca 0.40 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.44 1g9l h SER 56 Cb 0.55 0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.14 1g9l h SER 56 CO -0.35 -0.13 0.58 0.24 -1.14 0.00 0.00 176.83 176.03 1g9l h MET 57 N -0.15 1.04 -0.54 3.45 2.07 -1.71 -1.89 114.93 117.20 1g9l h MET 57 Ca 0.04 -0.06 -0.04 0.00 -2.07 0.00 0.00 59.70 57.56 1g9l h MET 57 Cb 0.19 -0.23 -0.02 0.00 -1.87 0.00 0.00 31.60 29.67 1g9l h MET 57 CO -0.09 0.69 0.17 -0.07 1.07 0.00 0.00 176.91 178.68 1g9l h LEU 58 N 1.07 0.78 -1.33 1.22 3.38 -0.34 -2.07 115.31 118.03 1g9l h LEU 58 Ca 0.37 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1g9l h LEU 58 Cb 0.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1g9l h LEU 58 CO -0.12 0.78 0.00 0.00 0.09 0.00 0.00 178.44 179.19 1g9l h ALA 59 N 1.03 1.00 0.00 1.53 0.00 -0.03 -1.23 119.26 121.56 1g9l h ALA 59 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1g9l h ALA 59 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1g9l h ALA 59 CO -0.01 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.67 1g9l n SER 60 N -2.39 0.00 -3.14 0.00 7.64 -0.78 -3.66 113.62 111.30 1g9l n SER 60 Ca -0.00 0.14 -0.22 0.00 1.01 0.00 0.00 58.87 59.80 1g9l n SER 60 Cb 0.12 -0.35 -0.04 0.00 -1.01 0.00 0.00 64.21 62.93 1g9l n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g9l n ALA 61 N -1.35 2.92 0.08 -0.43 0.00 -0.46 -4.98 120.51 116.29 1g9l n ALA 61 Ca 0.08 -3.85 -0.12 0.00 0.00 0.00 0.00 53.44 49.56 1g9l n ALA 61 Cb 0.19 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 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 3.19 -0.32 -0.77 0.00 0.11 -1.73 -0.25 132.00 132.22 1g9l h PRO 62 Ca 0.11 0.02 -0.19 0.00 0.11 0.00 0.00 66.00 66.05 1g9l h PRO 62 Cb 0.81 0.07 -0.11 0.00 0.11 0.00 0.00 31.00 31.88 1g9l h PRO 62 CO 0.60 -0.22 0.24 -0.35 -0.21 0.00 0.00 178.00 178.07 1g9l n PRO 63 N -5.32 3.61 0.00 1.05 -0.04 -1.26 -4.39 135.00 128.66 1g9l n PRO 63 Ca -0.06 -2.84 0.00 0.00 -0.04 0.00 0.00 63.50 60.56 1g9l n PRO 63 Cb 0.23 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 -0.06 0.00 -1.41 0.54 -0.06 -1.06 -4.97 117.38 110.35 1g9l n GLN 64 Ca 0.37 0.00 -0.26 0.00 -2.00 0.00 0.00 57.00 55.12 1g9l n GLN 64 Cb 1.31 0.00 0.10 0.00 -4.06 0.00 0.00 30.24 27.59 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 0.00 2.73 0.26 3.69 -0.58 -1.15 -4.62 120.64 120.97 1g9l n GLU 65 Ca 0.00 -3.46 0.14 0.00 -0.42 0.00 0.00 57.16 53.41 1g9l n GLU 65 Cb 0.00 -2.20 0.71 0.00 -0.57 0.00 0.00 31.44 29.38 1g9l n GLU 65 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1g9l h GLN 66 N 1.75 0.00 0.00 3.49 4.15 -1.25 -2.65 115.11 120.61 1g9l h GLN 66 Ca 0.49 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.83 1g9l h GLN 66 Cb 1.40 0.00 -0.16 0.00 0.21 0.00 0.00 27.48 28.93 1g9l h GLN 66 CO 1.13 0.12 -0.69 1.63 -1.93 0.00 0.00 178.83 179.08 1g9l n LYS 67 N -3.47 0.79 0.06 1.69 4.01 -1.26 -4.84 118.16 115.13 1g9l n LYS 67 Ca -0.01 -2.55 0.00 0.00 -0.51 0.00 0.00 58.31 55.23 1g9l n LYS 67 Cb 0.27 -0.85 0.00 0.00 -0.51 0.00 0.00 35.03 33.94 1g9l n LYS 67 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 1g9l n GLN 68 N -0.39 0.00 0.00 1.97 -0.06 -1.10 -4.82 117.38 112.98 1g9l n GLN 68 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.12 1g9l n GLN 68 Cb 0.88 -0.19 0.00 0.00 -4.06 0.00 0.00 30.24 26.87 1g9l n GLN 68 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1g9l n MET 69 N -3.09 0.78 -0.01 3.69 0.00 -1.02 -2.53 117.12 114.94 1g9l n MET 69 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.58 1g9l n MET 69 Cb 0.10 -1.31 -0.14 0.00 0.00 0.00 0.00 33.22 31.86 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 0.18 0.12 -1.70 3.17 -0.00 -1.88 -3.27 115.31 111.93 1g9l h LEU 70 Ca 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 1g9l h LEU 70 Cb 0.31 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.94 1g9l h LEU 70 CO 0.00 1.22 -0.06 0.61 -0.00 0.00 0.00 178.44 180.21 1g9l n GLY 71 N 1.65 -0.76 0.00 0.17 0.00 -1.18 -4.56 105.19 100.52 1g9l n GLY 71 Ca -0.19 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1g9l n GLY 71 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1g9l n GLU 72 N -0.19 3.13 0.00 1.61 -0.00 -1.05 -3.21 120.64 120.94 1g9l n GLU 72 Ca 0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 57.16 57.13 1g9l n GLU 72 Cb 0.47 -0.34 0.00 0.00 -0.00 0.00 0.00 31.44 31.57 1g9l n GLU 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1g9l n ARG 73 N -0.46 3.50 0.02 3.44 0.00 -1.25 -4.68 116.66 117.23 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 0.02 -0.53 0.51 0.00 0.00 0.00 0.00 32.46 32.47 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 -0.77 0.16 -0.08 6.15 4.77 -1.23 -4.00 117.00 122.01 1g9l n LEU 74 Ca 0.00 0.52 -0.09 0.00 -0.03 0.00 0.00 56.01 56.41 1g9l n LEU 74 Cb 0.00 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.58 1g9l n LEU 74 CO 0.00 -0.11 0.62 0.15 -1.33 0.00 0.00 177.39 176.72 1g9l h PHE 75 N 0.00 -1.01 0.00 -1.77 3.57 -1.88 0.32 116.94 116.17 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 0.48 0.49 0.00 0.00 2.79 0.00 0.00 35.95 39.70 1g9l h PHE 75 CO 0.00 -0.41 0.00 -2.30 -2.23 0.00 0.00 178.31 173.37 1g9l n PRO 76 N -5.42 0.00 -0.07 6.41 -0.02 -1.26 -1.64 135.00 133.01 1g9l n PRO 76 Ca -0.01 0.43 -0.06 0.00 -2.02 0.00 0.00 63.50 61.84 1g9l n PRO 76 Cb 0.34 -1.50 -0.16 0.00 -0.02 0.00 0.00 33.50 32.17 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 -1.49 0.11 -0.10 2.45 7.99 0.92 -4.42 117.00 122.46 1g9l n LEU 77 Ca 0.01 0.05 -0.14 0.00 -0.01 0.00 0.00 56.01 55.92 1g9l n LEU 77 Cb 0.04 0.38 -0.04 0.00 -0.11 0.00 0.00 43.42 43.69 1g9l n LEU 77 CO 0.03 0.40 0.49 0.40 -1.51 0.00 0.00 177.39 177.20 1g9l h ILE 78 N 0.00 1.28 0.00 -0.08 1.08 0.01 -2.59 117.51 117.21 1g9l h ILE 78 Ca -0.43 -1.63 0.00 0.00 -0.39 0.00 0.00 64.86 62.41 1g9l h ILE 78 Cb 2.00 1.54 0.00 0.00 -3.07 0.00 0.00 36.82 37.30 1g9l h ILE 78 CO 0.03 0.54 0.36 1.56 -0.69 0.00 0.00 178.15 179.94 1g9l h GLN 79 N 0.67 0.00 0.23 2.37 4.20 -1.72 0.46 115.11 121.31 1g9l h GLN 79 Ca 0.03 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.42 1g9l h GLN 79 Cb 1.05 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.86 1g9l h GLN 79 CO 0.11 0.00 -1.45 0.00 -0.67 0.00 0.00 178.83 176.82 1g9l h ALA 80 N 1.26 -0.10 -0.02 3.87 0.00 -1.69 -3.16 119.26 119.42 1g9l h ALA 80 Ca 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 54.91 54.00 1g9l h ALA 80 Cb 0.71 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1g9l h ALA 80 CO 0.00 0.77 -0.10 0.52 0.00 0.00 0.00 179.25 180.43 1g9l h MET 81 N 0.13 0.11 -6.40 0.00 2.86 -0.18 -3.45 114.93 108.00 1g9l h MET 81 Ca -0.24 -0.09 -0.67 0.00 -2.06 0.00 0.00 59.70 56.64 1g9l h MET 81 Cb 2.13 0.02 -0.17 0.00 0.06 0.00 0.00 31.60 33.64 1g9l h MET 81 CO 0.26 0.74 -0.72 -1.01 1.06 0.00 0.00 176.91 177.24 1g9l s HIS 82 N -3.60 2.81 -0.77 -0.22 4.02 -0.20 -5.01 115.29 112.32 1g9l s HIS 82 Ca -0.16 -0.10 -0.24 0.00 1.02 0.00 0.00 55.06 55.58 1g9l s HIS 82 Cb 0.01 -1.54 -0.23 0.00 -1.02 0.00 0.00 32.58 29.80 1g9l s HIS 82 CO 0.71 0.38 1.87 -2.30 1.02 0.00 0.00 174.74 176.41 1g9l n PRO 83 N 1.27 0.06 -3.68 8.40 -0.02 -1.26 -3.38 135.00 136.39 1g9l n PRO 83 Ca -0.15 -1.36 -0.28 0.00 -2.02 0.00 0.00 63.50 59.70 1g9l n PRO 83 Cb 0.52 -3.32 -0.01 0.00 -0.02 0.00 0.00 33.50 30.68 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 8.13 -0.99 0.95 3.45 -1.04 -1.19 -4.81 114.28 118.77 1g9l n THR 84 Ca 0.36 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.48 1g9l n THR 84 Cb 0.46 -1.73 0.31 0.00 -1.82 0.00 0.00 70.33 67.55 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 -3.96 2.18 0.00 -4.42 4.77 -1.22 -4.86 117.00 109.50 1g9l n LEU 85 Ca 0.02 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 1g9l n LEU 85 Cb 0.52 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1g9l n LEU 85 CO 0.64 0.47 0.00 0.00 -1.33 0.00 0.00 177.39 177.16 1g9l n ALA 86 N 0.67 0.00 0.00 -1.18 0.00 -1.26 -4.61 120.51 114.13 1g9l n ALA 86 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1g9l n ALA 86 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 2.47 2.73 0.00 0.00 0.00 -1.26 -4.33 105.19 104.80 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 0.01 0.00 1.61 3.00 -1.26 -4.93 118.16 114.59 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 -0.19 0.00 -0.27 3.15 5.41 -1.26 0.10 119.36 126.30 1g9l n ILE 89 Ca 0.00 0.90 0.08 0.00 1.00 0.00 0.00 62.75 64.73 1g9l n ILE 89 Cb 0.00 -1.65 0.31 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 0.96 -0.20 1.39 2.02 -1.90 0.41 112.91 115.58 1g9l h THR 90 Ca 0.00 -0.29 0.06 0.00 0.77 0.00 0.00 66.41 66.95 1g9l h THR 90 Cb 0.00 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.44 1g9l h THR 90 CO 0.00 0.15 0.16 1.23 0.37 0.00 0.00 175.52 177.44 1g9l h GLY 91 N 0.84 0.00 1.69 2.16 0.00 -1.49 0.26 103.07 106.53 1g9l h GLY 91 Ca 0.40 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.51 1g9l h GLY 91 CO -0.17 0.00 -0.97 1.98 0.00 0.00 0.00 176.54 177.38 1g9l h MET 92 N 0.00 0.27 0.00 4.80 -1.53 0.51 -3.18 114.93 115.80 1g9l h MET 92 Ca 0.10 -0.32 0.00 0.00 -3.44 0.00 0.00 59.70 56.03 1g9l h MET 92 Cb 0.42 0.10 0.00 0.00 -0.55 0.00 0.00 31.60 31.57 1g9l h MET 92 CO -0.00 1.05 0.00 1.28 0.14 0.00 0.00 176.91 179.38 1g9l n LEU 93 N -3.65 0.00 -1.24 3.39 7.99 0.90 0.65 117.00 125.04 1g9l n LEU 93 Ca -0.05 0.23 -0.02 0.00 -0.01 0.00 0.00 56.01 56.16 1g9l n LEU 93 Cb 0.86 -0.23 0.23 0.00 -0.11 0.00 0.00 43.42 44.17 1g9l n LEU 93 CO 0.50 -0.23 0.78 0.18 -1.51 0.00 0.00 177.39 177.11 1g9l n LEU 94 N -1.23 4.45 0.00 2.23 4.32 -1.18 -4.06 117.00 121.53 1g9l n LEU 94 Ca 0.00 -3.45 0.00 0.00 -0.02 0.00 0.00 56.01 52.54 1g9l n LEU 94 Cb 0.00 -0.63 0.00 0.00 -1.62 0.00 0.00 43.42 41.17 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 -0.84 0.00 0.00 3.23 0.28 0.21 -5.10 120.64 118.43 1g9l n GLU 95 Ca 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 1g9l n GLU 95 Cb 1.08 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.95 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 0.17 -4.67 119.36 118.70 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 -0.12 0.00 0.00 -0.00 0.00 0.00 39.64 39.69 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 -4.78 116.55 119.82 1g9l n ASP 97 Ca 0.00 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1g9l n ASP 97 Cb 0.00 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 1g9l n ASP 97 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1g9l n ASN 98 N -1.13 0.00 0.23 1.67 0.23 -1.26 -4.64 115.26 110.37 1g9l n ASN 98 Ca 0.00 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.13 1g9l n ASN 98 Cb 0.00 0.00 0.57 0.00 -2.08 0.00 0.00 39.78 38.28 1g9l n ASN 98 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1g9l h SER 99 N 0.00 0.00 1.22 0.53 0.02 -1.98 0.94 113.55 114.28 1g9l h SER 99 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1g9l h SER 99 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1g9l h SER 99 CO 0.00 0.19 -0.81 -0.33 -1.14 0.00 0.00 176.83 174.74 1g9l h GLU 100 N 0.00 0.00 0.00 3.45 5.08 -1.93 -0.18 114.58 121.00 1g9l h GLU 100 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1g9l h GLU 100 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1g9l h GLU 100 CO 0.03 0.48 -0.40 1.25 -1.00 0.00 0.00 179.01 179.36 1g9l h LEU 101 N 0.00 0.00 0.03 1.33 5.85 -1.32 -2.25 115.31 118.95 1g9l h LEU 101 Ca -0.05 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.41 1g9l h LEU 101 Cb 1.47 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.47 1g9l h LEU 101 CO 0.06 0.40 -1.39 -0.07 -0.34 0.00 0.00 178.44 177.11 1g9l h LEU 102 N 0.00 0.09 -0.91 2.25 4.07 -0.83 -3.34 115.31 116.63 1g9l h LEU 102 Ca -0.00 -0.60 -0.07 0.00 0.08 0.00 0.00 57.88 57.28 1g9l h LEU 102 Cb 1.07 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.76 1g9l h LEU 102 CO 0.05 1.56 -0.01 -0.74 -1.08 0.00 0.00 178.44 178.22 1g9l h HIS 103 N -0.79 0.84 -0.82 1.13 2.76 -1.12 -2.42 115.15 114.73 1g9l h HIS 103 Ca -0.36 -0.12 0.01 0.00 -2.20 0.00 0.00 60.37 57.70 1g9l h HIS 103 Cb 1.45 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 30.14 1g9l h HIS 103 CO 0.10 0.78 0.54 0.00 -1.30 0.00 0.00 177.93 178.05 1g9l h MET 104 N 0.73 1.08 0.00 5.26 -0.00 -1.59 0.42 114.93 120.84 1g9l h MET 104 Ca 0.14 -0.07 0.00 0.00 -0.00 0.00 0.00 59.70 59.77 1g9l h MET 104 Cb 0.46 -0.24 0.00 0.00 -0.00 0.00 0.00 31.60 31.82 1g9l h MET 104 CO 0.02 0.72 -0.09 1.28 -0.00 0.00 0.00 176.91 178.84 1g9l n LEU 105 N -4.41 0.29 -0.05 -0.10 4.77 -1.05 -3.08 117.00 113.38 1g9l n LEU 105 Ca 0.09 0.45 0.05 0.00 -0.03 0.00 0.00 56.01 56.57 1g9l n LEU 105 Cb 0.03 -0.41 -0.05 0.00 -2.33 0.00 0.00 43.42 40.66 1g9l n LEU 105 CO 0.37 -0.03 0.02 -1.84 -1.33 0.00 0.00 177.39 174.57 1g9l n GLU 106 N -1.72 3.09 -3.74 3.23 0.28 -0.48 -4.82 120.64 116.49 1g9l n GLU 106 Ca 0.06 -0.11 -0.16 0.00 -0.16 0.00 0.00 57.16 56.79 1g9l n GLU 106 Cb 0.37 -1.05 -0.16 0.00 1.43 0.00 0.00 31.44 32.03 1g9l n GLU 106 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1g9l s SER 107 N -1.96 0.34 0.00 -1.84 0.15 0.14 -5.01 113.70 105.52 1g9l s SER 107 Ca 0.05 0.11 0.04 0.00 0.70 0.00 0.00 55.95 56.85 1g9l s SER 107 Cb 0.09 -0.02 0.25 0.00 -1.71 0.00 0.00 66.02 64.63 1g9l s SER 107 CO 0.43 -0.17 0.66 -2.65 1.20 0.00 0.00 173.24 172.72 1g9l n PRO 108 N 4.53 0.40 0.00 5.44 -0.02 -1.26 -2.08 135.00 142.01 1g9l n PRO 108 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1g9l n PRO 108 Cb 0.50 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.82 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 -0.66 2.40 -0.08 -0.52 2.13 -1.26 -4.64 120.64 118.01 1g9l n GLU 109 Ca 0.03 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.75 1g9l n GLU 109 Cb 0.01 -0.80 -0.03 0.00 0.27 0.00 0.00 31.44 30.89 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 0.36 -0.37 4.31 0.02 -1.65 0.17 113.55 116.38 1g9l h SER 110 Ca 0.00 -0.16 0.11 0.00 -0.84 0.00 0.00 61.79 60.90 1g9l h SER 110 Cb 0.39 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1g9l h SER 110 CO 0.00 0.42 0.58 0.25 -1.14 0.00 0.00 176.83 176.94 1g9l h LEU 111 N 0.27 0.00 0.00 5.07 6.46 -1.67 0.76 115.31 126.20 1g9l h LEU 111 Ca 0.09 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1g9l h LEU 111 Cb 0.17 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 1g9l h LEU 111 CO -0.01 0.00 -0.46 0.54 -0.62 0.00 0.00 178.44 177.90 1g9l n ARG 112 N -3.33 0.33 -0.20 1.25 1.74 -0.39 -2.12 116.66 113.94 1g9l n ARG 112 Ca 0.07 0.36 0.30 0.00 -0.77 0.00 0.00 57.85 57.81 1g9l n ARG 112 Cb 0.73 -1.34 0.73 0.00 -1.02 0.00 0.00 32.46 31.56 1g9l n ARG 112 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1g9l h SER 113 N -0.70 0.00 0.17 0.55 0.87 -0.31 0.63 113.55 114.76 1g9l h SER 113 Ca 0.00 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.31 1g9l h SER 113 Cb 0.46 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.44 1g9l h SER 113 CO 0.00 0.00 -1.12 0.11 -0.53 0.00 0.00 176.83 175.29 1g9l h LYS 114 N 0.00 0.37 0.67 2.24 1.79 0.35 -2.90 116.57 119.09 1g9l h LYS 114 Ca 0.45 -0.63 -0.03 0.00 -2.18 0.00 0.00 60.65 58.26 1g9l h LYS 114 Cb 1.86 0.23 0.01 0.00 -1.58 0.00 0.00 32.23 32.75 1g9l h LYS 114 CO -0.00 1.30 -0.32 0.28 -1.08 0.00 0.00 179.45 179.63 1g9l h VAL 115 N -0.20 0.21 -0.85 0.50 2.07 0.18 0.52 116.25 118.69 1g9l h VAL 115 Ca -0.20 -0.25 0.17 0.00 0.82 0.00 0.00 66.70 67.23 1g9l h VAL 115 Cb 1.83 0.27 -0.10 0.00 -1.52 0.00 0.00 31.29 31.77 1g9l h VAL 115 CO 0.18 0.02 0.41 -0.78 0.02 0.00 0.00 177.57 177.42 1g9l h ASP 116 N -1.09 0.46 0.30 0.57 3.58 -0.14 0.40 116.42 120.49 1g9l h ASP 116 Ca -0.09 0.11 -0.12 0.00 0.42 0.00 0.00 57.03 57.35 1g9l h ASP 116 Cb 0.72 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 1g9l h ASP 116 CO 0.15 0.15 -0.50 -0.33 -2.88 0.00 0.00 179.24 175.83 1g9l h GLU 117 N 0.55 0.23 0.00 0.28 5.08 -1.40 -2.45 114.58 116.87 1g9l h GLU 117 Ca 0.49 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.67 1g9l h GLU 117 Cb 0.76 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1g9l h GLU 117 CO -0.41 0.68 -0.21 0.00 -1.00 0.00 0.00 179.01 178.06 1g9l h ALA 118 N 1.30 1.12 -0.31 3.43 0.00 0.41 -2.57 119.26 122.65 1g9l h ALA 118 Ca 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1g9l h ALA 118 Cb 0.94 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1g9l h ALA 118 CO 0.08 0.27 0.12 0.28 0.00 0.00 0.00 179.25 179.99 1g9l h VAL 119 N 0.00 1.19 -0.10 0.00 2.07 -0.30 0.87 116.25 119.97 1g9l h VAL 119 Ca -0.00 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 66.97 1g9l h VAL 119 Cb 0.61 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1g9l h VAL 119 CO 0.03 0.20 0.10 0.00 0.02 0.00 0.00 177.57 177.91 1g9l h ALA 120 N 0.96 1.75 0.04 1.67 0.00 -1.42 0.16 119.26 122.42 1g9l h ALA 120 Ca 0.10 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.72 1g9l h ALA 120 Cb 0.20 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1g9l h ALA 120 CO -0.01 -0.15 -1.58 0.28 0.00 0.00 0.00 179.25 177.80 1g9l h VAL 121 N 0.00 1.04 -0.33 0.00 2.07 -1.02 -2.85 116.25 115.17 1g9l h VAL 121 Ca 0.05 -2.81 -0.15 0.00 0.82 0.00 0.00 66.70 64.61 1g9l h VAL 121 Cb 0.24 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1g9l h VAL 121 CO -0.00 0.70 -0.39 0.17 0.02 0.00 0.00 177.57 178.07 1g9l h LEU 122 N 0.03 0.84 -0.67 2.57 8.10 0.25 -1.43 115.31 124.99 1g9l h LEU 122 Ca -0.24 -0.38 -0.10 0.00 0.11 0.00 0.00 57.88 57.26 1g9l h LEU 122 Cb 1.98 -0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 41.94 1g9l h LEU 122 CO 0.11 1.13 -0.50 1.56 -4.11 0.00 0.00 178.44 176.63 1g9l h GLN 123 N 0.65 0.00 -0.00 0.17 1.08 -0.90 0.42 115.11 116.52 1g9l h GLN 123 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1g9l h GLN 123 Cb 0.94 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.37 1g9l h GLN 123 CO 0.09 0.50 -0.04 0.00 -0.95 0.00 0.00 178.83 178.42 1g9l n ALA 124 N -2.31 2.68 0.00 3.87 0.00 -1.01 -2.01 120.51 121.72 1g9l n ALA 124 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1g9l n ALA 124 Cb 0.60 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.80 0.00 0.09 0.00 -0.00 -0.57 -0.41 115.22 113.52 1g9l n HIS 125 Ca 0.18 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.69 1g9l n HIS 125 Cb 0.23 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.07 1g9l n HIS 125 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1g9l h GLN 126 N 0.00 0.38 0.00 1.57 1.08 -0.25 -3.42 115.11 114.47 1g9l h GLN 126 Ca 0.00 -0.65 0.00 0.00 -1.45 0.00 0.00 58.65 56.55 1g9l h GLN 126 Cb 0.56 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1g9l h GLN 126 CO 0.00 1.28 -0.55 0.00 -0.95 0.00 0.00 178.83 178.61 1g9l n ALA 127 N -2.76 0.49 -2.08 3.87 0.00 -0.85 -5.02 120.51 114.15 1g9l n ALA 127 Ca -0.20 -0.51 -0.18 0.00 0.00 0.00 0.00 53.44 52.55 1g9l n ALA 127 Cb 1.07 0.02 0.01 0.00 0.00 0.00 0.00 19.45 20.55 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 -2.15 2.82 -0.16 0.00 0.00 -1.20 -4.98 119.74 114.07 1g9l s LYS 128 Ca -0.16 -1.07 0.06 0.00 0.00 0.00 0.00 55.97 54.81 1g9l s LYS 128 Cb 0.02 -2.70 0.44 0.00 0.00 0.00 0.00 37.83 35.59 1g9l s LYS 128 CO 0.24 -0.32 1.28 -1.91 0.00 0.00 0.00 175.35 174.63 1g9l n GLU 129 N -1.94 2.82 -0.26 1.78 4.07 -1.24 -2.89 120.64 122.98 1g9l n GLU 129 Ca 0.07 -1.74 0.06 0.00 -0.06 0.00 0.00 57.16 55.48 1g9l n GLU 129 Cb 0.59 -1.86 0.30 0.00 -0.06 0.00 0.00 31.44 30.40 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1g9l h ALA 130 N 2.71 1.62 -1.40 4.31 0.00 -1.10 -3.37 119.26 122.02 1g9l h ALA 130 Ca 0.09 -0.02 -0.54 0.00 0.00 0.00 0.00 54.91 54.44 1g9l h ALA 130 Cb 1.51 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 1g9l h ALA 130 CO 0.36 0.24 1.05 0.00 0.00 0.00 0.00 179.25 180.90 1g9l s ALA 131 N -5.80 2.79 0.50 0.00 0.00 -0.54 -5.00 121.76 113.70 1g9l s ALA 131 Ca -0.11 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 50.58 1g9l s ALA 131 Cb 0.20 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 19.10 1g9l s ALA 131 CO 0.79 -3.19 0.75 -0.65 0.00 0.00 0.00 175.76 173.46 1g9l s GLN 132 N 5.62 2.99 0.02 0.00 -0.21 -1.26 -4.92 119.66 121.90 1g9l s GLN 132 Ca 0.37 -0.36 0.19 0.00 0.02 0.00 0.00 55.36 55.58 1g9l s GLN 132 Cb -0.08 -2.47 0.80 0.00 1.00 0.00 0.00 33.01 32.26 1g9l s GLN 132 CO 0.17 -0.42 1.60 0.36 -2.12 0.00 0.00 175.29 174.88 1g9l n LYS 133 N -2.24 0.02 -2.53 2.91 2.85 -1.26 -4.73 118.16 113.17 1g9l n LYS 133 Ca 0.03 0.20 -0.42 0.00 -1.05 0.00 0.00 58.31 57.07 1g9l n LYS 133 Cb 0.58 -1.53 -0.03 0.00 -0.65 0.00 0.00 35.03 33.40 1g9l n LYS 133 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1g9l s ALA 134 N -3.03 3.42 -1.17 0.58 0.00 -1.26 -4.92 121.76 115.39 1g9l s ALA 134 Ca 0.09 0.60 0.14 0.00 0.00 0.00 0.00 51.96 52.78 1g9l s ALA 134 Cb 0.12 -3.46 0.57 0.00 0.00 0.00 0.00 23.12 20.35 1g9l s ALA 134 CO 0.35 -0.61 1.44 1.33 0.00 0.00 0.00 175.76 178.27 1g9l n VAL 135 N 4.39 1.49 0.14 0.00 0.24 -1.26 -4.21 118.33 119.13 1g9l n VAL 135 Ca 0.09 -0.93 -0.25 0.00 -2.04 0.00 0.00 64.34 61.22 1g9l n VAL 135 Cb 0.47 0.01 -0.16 0.00 -1.47 0.00 0.00 33.84 32.69 1g9l n VAL 135 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 1g9l h ASN 136 N 3.21 0.85 0.60 -1.34 -1.24 -1.97 -3.23 115.58 112.46 1g9l h ASN 136 Ca 0.00 -0.92 0.00 0.00 0.71 0.00 0.00 56.30 56.09 1g9l h ASN 136 Cb 1.23 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 40.00 1g9l h ASN 136 CO 0.20 1.71 0.00 -0.24 -1.29 0.00 0.00 177.43 177.81 1g9l n SER 137 N -3.73 0.00 -4.10 1.15 2.88 -1.26 -4.39 113.62 104.16 1g9l n SER 137 Ca -0.17 0.18 -0.42 0.00 -1.33 0.00 0.00 58.87 57.13 1g9l n SER 137 Cb 1.10 -0.38 -0.00 0.00 -0.75 0.00 0.00 64.21 64.18 1g9l n SER 137 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g9l n ALA 138 N -1.38 4.61 -4.03 -1.46 0.00 -1.22 -4.90 120.51 112.13 1g9l n ALA 138 Ca 0.09 -3.84 -0.12 0.00 0.00 0.00 0.00 53.44 49.56 1g9l n ALA 138 Cb 0.22 -3.57 -0.02 0.00 0.00 0.00 0.00 19.45 16.09 1g9l n ALA 138 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1g9l n THR 139 N 5.71 0.00 0.00 0.00 -2.24 -1.26 -5.07 114.28 111.41 1g9l n THR 139 Ca 0.51 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1g9l n THR 139 Cb 0.42 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1g9l n THR 139 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g9l n GLY 140 N 2.50 -0.37 3.88 3.38 0.00 -1.26 -4.96 105.19 108.37 1g9l n GLY 140 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1g9l n GLY 140 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1g9l s VAL 141 N -0.88 5.14 0.35 1.61 -7.23 -1.26 -5.06 120.40 113.07 1g9l s VAL 141 Ca 0.00 0.24 -0.28 0.00 -1.81 0.00 0.00 61.98 60.13 1g9l s VAL 141 Cb 0.00 -3.63 -0.10 0.00 0.56 0.00 0.00 36.38 33.21 1g9l s VAL 141 CO 0.00 0.17 1.36 -2.16 -0.31 0.00 0.00 175.10 174.16 1g9l s PRO 142 N -2.26 4.24 -0.07 4.82 0.04 -1.26 -4.98 135.00 135.52 1g9l s PRO 142 Ca 0.37 2.31 -0.09 0.00 0.04 0.00 0.00 61.00 63.63 1g9l s PRO 142 Cb -0.13 -3.00 -0.03 0.00 0.04 0.00 0.00 34.50 31.38 1g9l s PRO 142 CO 0.21 -0.33 -0.17 -2.37 0.04 0.00 0.00 177.00 174.38 1g9l n THR 143 N 0.62 0.91 1.64 1.26 5.66 -1.26 -5.23 114.28 117.88 1g9l n THR 143 Ca 0.01 0.27 0.15 0.00 -3.05 0.00 0.00 64.05 61.42 1g9l n THR 143 Cb 0.41 -1.88 0.64 0.00 -1.55 0.00 0.00 70.33 67.95 1g9l n THR 143 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54