#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g9l n PRO 2 N 0.00 0.59 -0.03 1.61 -0.02 -1.26 -4.96 135.00 130.93 1g9l n PRO 2 Ca 0.00 0.26 -0.14 0.00 -2.02 0.00 0.00 63.50 61.60 1g9l n PRO 2 Cb 0.00 -2.30 -0.14 0.00 -0.02 0.00 0.00 33.50 31.04 1g9l n PRO 2 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1g9l n LEU 3 N -1.85 1.52 -2.62 2.45 4.77 -1.26 -4.30 117.00 115.71 1g9l n LEU 3 Ca 0.14 0.24 -0.36 0.00 -0.03 0.00 0.00 56.01 56.00 1g9l n LEU 3 Cb 0.49 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 41.33 1g9l n LEU 3 CO 0.48 0.60 1.50 0.61 -1.33 0.00 0.00 177.39 179.26 1g9l n GLY 4 N 1.79 5.48 0.44 -0.72 0.00 -1.26 -4.37 105.19 106.54 1g9l n GLY 4 Ca -0.27 -2.30 0.11 0.00 0.00 0.00 0.00 46.02 43.56 1g9l n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1g9l n SER 5 N -0.51 1.90 -0.28 1.61 3.41 -1.26 -4.37 113.62 114.12 1g9l n SER 5 Ca 0.56 -1.45 -0.05 0.00 -0.26 0.00 0.00 58.87 57.66 1g9l n SER 5 Cb 0.43 0.53 0.06 0.00 -0.26 0.00 0.00 64.21 64.98 1g9l n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g9l h ALA 6 N 3.71 0.97 -4.48 7.33 0.00 -1.91 -3.43 119.26 121.44 1g9l h ALA 6 Ca 0.00 -0.13 -0.40 0.00 0.00 0.00 0.00 54.91 54.38 1g9l h ALA 6 Cb 0.72 -0.30 0.12 0.00 0.00 0.00 0.00 17.79 18.33 1g9l h ALA 6 CO 0.00 0.50 0.26 0.00 0.00 0.00 0.00 179.25 180.01 1g9l n ALA 7 N -2.37 -0.71 0.00 0.00 0.00 -1.26 -5.08 120.51 111.09 1g9l n ALA 7 Ca 0.07 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.85 1g9l n ALA 7 Cb 0.11 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -3.40 3.00 0.00 0.00 0.00 -1.26 -5.07 120.51 113.77 1g9l n ALA 8 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1g9l n ALA 8 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.55 0.00 -3.73 0.00 0.00 -1.26 -5.12 120.51 107.85 1g9l n ALA 9 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1g9l n ALA 9 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.03 0.49 -0.83 0.00 -4.23 -1.26 -5.01 115.64 103.77 1g9l s THR 10 Ca 0.00 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.71 1g9l s THR 10 Cb 0.00 -0.58 0.19 0.00 1.34 0.00 0.00 72.50 73.44 1g9l s THR 10 CO 0.00 0.26 1.62 -0.81 -0.54 0.00 0.00 174.62 175.15 1g9l n PRO 11 N 4.73 0.08 -2.19 3.99 -0.04 -1.26 -4.22 135.00 136.09 1g9l n PRO 11 Ca -0.14 0.26 -0.42 0.00 -0.04 0.00 0.00 63.50 63.16 1g9l n PRO 11 Cb 0.50 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1g9l n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1g9l n ALA 12 N -1.60 5.17 -2.69 0.55 0.00 -1.26 -4.95 120.51 115.73 1g9l n ALA 12 Ca 0.04 -4.12 -0.35 0.00 0.00 0.00 0.00 53.44 49.01 1g9l n ALA 12 Cb 0.23 -3.23 -0.10 0.00 0.00 0.00 0.00 19.45 16.35 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 1.75 4.26 -1.27 0.00 1.01 -1.26 -5.03 120.40 119.86 1g9l s VAL 13 Ca 0.43 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 1g9l s VAL 13 Cb 0.10 -2.80 0.17 0.00 0.00 0.00 0.00 36.38 33.85 1g9l s VAL 13 CO -0.02 0.60 1.93 -2.11 0.00 0.00 0.00 175.10 175.50 1g9l n ARG 14 N 2.25 3.84 -4.21 2.72 1.85 -1.26 -4.97 116.66 116.88 1g9l n ARG 14 Ca -0.18 -3.58 -0.35 0.00 -1.00 0.00 0.00 57.85 52.73 1g9l n ARG 14 Cb 0.53 -2.85 -0.08 0.00 -1.05 0.00 0.00 32.46 29.01 1g9l n ARG 14 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1g9l s THR 15 N -0.08 4.68 -0.26 8.89 2.01 -1.26 -5.03 115.64 124.59 1g9l s THR 15 Ca 0.41 -0.14 -0.16 0.00 0.31 0.00 0.00 61.69 62.11 1g9l s THR 15 Cb 0.11 -3.01 -0.13 0.00 0.01 0.00 0.00 72.50 69.49 1g9l s THR 15 CO -0.00 0.58 -0.25 0.52 -0.69 0.00 0.00 174.62 174.78 1g9l n VAL 16 N 1.99 1.53 -1.43 3.82 0.31 -1.26 -4.67 118.33 118.62 1g9l n VAL 16 Ca -0.18 -0.26 -0.41 0.00 -0.01 0.00 0.00 64.34 63.47 1g9l n VAL 16 Cb 0.54 -1.96 -0.02 0.00 -0.91 0.00 0.00 33.84 31.48 1g9l n VAL 16 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1g9l n PRO 17 N -4.31 2.39 -0.47 5.55 -0.04 -1.26 -4.93 135.00 131.93 1g9l n PRO 17 Ca -0.46 -2.23 -0.09 0.00 -0.04 0.00 0.00 63.50 60.67 1g9l n PRO 17 Cb 0.81 -3.07 0.07 0.00 -0.04 0.00 0.00 33.50 31.27 1g9l n PRO 17 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1g9l n GLN 18 N 6.10 -1.02 -1.25 0.54 6.02 -1.26 -4.87 117.38 121.64 1g9l n GLN 18 Ca 0.53 -0.60 -0.36 0.00 -0.01 0.00 0.00 57.00 56.55 1g9l n GLN 18 Cb 0.37 -0.47 -0.04 0.00 1.02 0.00 0.00 30.24 31.12 1g9l n GLN 18 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1g9l n TYR 19 N -2.90 2.22 -4.06 1.08 9.36 -1.26 -4.90 117.16 116.70 1g9l n TYR 19 Ca 0.05 -2.93 -0.36 0.00 3.32 0.00 0.00 57.90 57.97 1g9l n TYR 19 Cb 0.18 -2.39 -0.07 0.00 -0.63 0.00 0.00 39.34 36.43 1g9l n TYR 19 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1g9l s LYS 20 N 2.21 3.27 -0.44 2.98 1.02 -1.26 -5.04 119.74 122.48 1g9l s LYS 20 Ca 0.67 -0.24 -0.27 0.00 0.02 0.00 0.00 55.97 56.16 1g9l s LYS 20 Cb 0.18 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 1g9l s LYS 20 CO -0.06 0.75 1.97 0.71 -0.92 0.00 0.00 175.35 177.81 1g9l s TYR 21 N -0.98 1.56 -0.96 3.18 2.02 -1.26 -4.79 117.35 116.11 1g9l s TYR 21 Ca 0.15 0.84 0.24 0.00 -0.37 0.00 0.00 57.07 57.93 1g9l s TYR 21 Cb -0.12 -4.00 0.29 0.00 -0.40 0.00 0.00 41.96 37.73 1g9l s TYR 21 CO 0.04 -2.78 1.26 0.00 -1.57 0.00 0.00 175.55 172.50 1g9l n ALA 22 N 12.27 3.82 -2.12 3.71 0.00 -1.26 -4.91 120.51 132.03 1g9l n ALA 22 Ca 0.25 -0.41 -0.35 0.00 0.00 0.00 0.00 53.44 52.93 1g9l n ALA 22 Cb 0.50 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 1g9l n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l s ALA 23 N -3.02 3.39 -0.66 0.00 0.00 -1.26 -5.03 121.76 115.18 1g9l s ALA 23 Ca 0.10 0.12 -0.18 0.00 0.00 0.00 0.00 51.96 52.00 1g9l s ALA 23 Cb 0.17 -2.80 0.12 0.00 0.00 0.00 0.00 23.12 20.61 1g9l s ALA 23 CO 0.75 0.33 0.76 0.20 0.00 0.00 0.00 175.76 177.80 1g9l s GLY 24 N -1.82 1.90 -0.00 0.00 0.00 -1.26 -4.86 107.32 101.28 1g9l s GLY 24 Ca 0.46 -2.43 -0.13 0.00 0.00 0.00 0.00 44.72 42.61 1g9l s GLY 24 CO 0.20 1.59 0.86 -0.39 0.00 0.00 0.00 173.10 175.36 1g9l h VAL 25 N 5.77 1.14 -3.50 1.40 -1.51 -1.98 -3.45 116.25 114.13 1g9l h VAL 25 Ca -0.19 -2.64 -0.53 0.00 -1.23 0.00 0.00 66.70 62.11 1g9l h VAL 25 Cb 1.07 2.92 -0.02 0.00 -2.13 0.00 0.00 31.29 33.13 1g9l h VAL 25 CO 1.06 0.83 0.31 -0.13 -1.23 0.00 0.00 177.57 178.42 1g9l s ARG 26 N -2.59 4.62 -0.49 5.19 1.81 -1.26 -5.02 118.95 121.20 1g9l s ARG 26 Ca -0.12 1.35 -0.18 0.00 -1.72 0.00 0.00 55.73 55.06 1g9l s ARG 26 Cb 0.05 -3.40 0.06 0.00 -0.45 0.00 0.00 34.95 31.21 1g9l s ARG 26 CO 0.91 0.16 0.54 -0.80 -0.68 0.00 0.00 175.30 175.42 1g9l s ASN 27 N 0.26 6.20 -0.73 0.23 0.02 -1.26 -5.00 114.94 114.65 1g9l s ASN 27 Ca 0.46 -1.05 -0.26 0.00 -1.02 0.00 0.00 52.86 51.00 1g9l s ASN 27 Cb -0.22 -2.25 -0.13 0.00 0.02 0.00 0.00 41.25 38.67 1g9l s ASN 27 CO 0.28 -0.79 2.42 -2.65 0.02 0.00 0.00 177.10 176.37 1g9l n PRO 28 N 5.81 0.64 -3.30 -0.60 -0.02 -1.26 -4.89 135.00 131.38 1g9l n PRO 28 Ca -0.09 -0.65 -0.46 0.00 -2.02 0.00 0.00 63.50 60.28 1g9l n PRO 28 Cb 0.45 -3.57 -0.04 0.00 -0.02 0.00 0.00 33.50 30.31 1g9l n PRO 28 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1g9l s GLN 29 N 8.76 3.12 -0.05 -0.52 -2.07 -1.26 -5.04 119.66 122.59 1g9l s GLN 29 Ca 0.95 -1.85 -0.30 0.00 -1.82 0.00 0.00 55.36 52.35 1g9l s GLN 29 Cb -0.16 -4.33 -0.05 0.00 -1.09 0.00 0.00 33.01 27.38 1g9l s GLN 29 CO 0.13 -1.33 1.48 -0.65 -1.32 0.00 0.00 175.29 173.60 1g9l s GLN 30 N 1.36 4.23 -0.39 9.60 -0.21 -1.26 -4.90 119.66 128.08 1g9l s GLN 30 Ca 0.06 2.01 0.05 0.00 0.02 0.00 0.00 55.36 57.51 1g9l s GLN 30 Cb -0.26 -3.77 0.50 0.00 1.00 0.00 0.00 33.01 30.49 1g9l s GLN 30 CO 0.01 -0.71 1.57 0.72 -2.12 0.00 0.00 175.29 174.76 1g9l n HIS 31 N 6.30 2.16 0.00 0.91 8.25 -1.26 -4.78 115.22 126.79 1g9l n HIS 31 Ca 0.15 -2.09 0.00 0.00 -0.26 0.00 0.00 57.72 55.52 1g9l n HIS 31 Cb 0.43 -0.72 0.00 0.00 1.12 0.00 0.00 29.99 30.83 1g9l n HIS 31 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1g9l n LEU 32 N -0.99 0.37 -4.67 2.41 -0.00 -1.26 -4.97 117.00 107.90 1g9l n LEU 32 Ca 0.45 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 56.09 1g9l n LEU 32 Cb 1.01 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 44.35 1g9l n LEU 32 CO 0.42 0.00 -0.01 0.54 -0.00 0.00 0.00 177.39 178.34 1g9l s ASN 33 N -1.00 6.31 0.00 1.96 4.22 -1.26 -4.95 114.94 120.22 1g9l s ASN 33 Ca 0.00 0.36 0.27 0.00 -2.14 0.00 0.00 52.86 51.35 1g9l s ASN 33 Cb 0.00 -2.18 0.88 0.00 1.28 0.00 0.00 41.25 41.23 1g9l s ASN 33 CO 0.00 -0.02 1.64 0.00 -2.04 0.00 0.00 177.10 176.68 1g9l n ALA 34 N 4.39 2.90 -2.79 3.54 0.00 -1.26 -4.85 120.51 122.44 1g9l n ALA 34 Ca -0.11 -0.41 -0.36 0.00 0.00 0.00 0.00 53.44 52.57 1g9l n ALA 34 Cb 0.51 -1.16 -0.08 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.35 3.83 1.13 0.00 -0.21 -1.26 -5.09 119.66 115.71 1g9l s GLN 35 Ca 0.29 -0.23 -0.14 0.00 0.02 0.00 0.00 55.36 55.30 1g9l s GLN 35 Cb 0.20 -3.26 0.22 0.00 1.00 0.00 0.00 33.01 31.16 1g9l s GLN 35 CO 0.46 0.48 0.75 -2.30 -2.12 0.00 0.00 175.29 172.56 1g9l n PRO 36 N 2.93 -1.98 -2.91 2.91 -0.02 -1.26 -5.02 135.00 129.65 1g9l n PRO 36 Ca -0.18 -0.55 -0.25 0.00 -2.02 0.00 0.00 63.50 60.51 1g9l n PRO 36 Cb 0.53 -2.06 0.01 0.00 -0.02 0.00 0.00 33.50 31.96 1g9l n PRO 36 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1g9l s GLN 37 N -4.15 3.25 -0.03 -0.52 1.11 -1.26 -5.06 119.66 113.00 1g9l s GLN 37 Ca 0.65 -0.22 -0.04 0.00 0.01 0.00 0.00 55.36 55.75 1g9l s GLN 37 Cb -0.22 -2.50 -0.01 0.00 -1.01 0.00 0.00 33.01 29.27 1g9l s GLN 37 CO 0.65 -0.22 -0.08 0.28 0.01 0.00 0.00 175.29 175.93 1g9l n VAL 38 N -2.13 0.46 0.02 1.09 0.31 -1.26 -4.81 118.33 112.01 1g9l n VAL 38 Ca 0.00 0.32 -0.11 0.00 -0.01 0.00 0.00 64.34 64.54 1g9l n VAL 38 Cb 0.57 -1.62 -0.14 0.00 -0.91 0.00 0.00 33.84 31.74 1g9l n VAL 38 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1g9l h THR 39 N -0.24 1.11 -1.79 2.52 2.02 -2.06 -3.41 112.91 111.07 1g9l h THR 39 Ca 0.00 -2.88 -0.73 0.00 0.77 0.00 0.00 66.41 63.58 1g9l h THR 39 Cb 0.24 2.60 -0.15 0.00 -1.74 0.00 0.00 68.15 69.09 1g9l h THR 39 CO 0.00 0.70 1.63 0.23 0.37 0.00 0.00 175.52 178.45 1g9l n MET 40 N -3.23 3.34 -3.58 6.66 2.00 -1.26 -4.87 117.12 116.19 1g9l n MET 40 Ca -0.14 -3.68 -0.02 0.00 0.00 0.00 0.00 57.70 53.87 1g9l n MET 40 Cb 1.02 -3.14 -0.05 0.00 0.00 0.00 0.00 33.22 31.05 1g9l n MET 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 1g9l s GLN 41 N 2.08 0.45 -0.65 0.03 0.74 -1.26 -4.69 119.66 116.35 1g9l s GLN 41 Ca 0.45 0.94 0.05 0.00 0.05 0.00 0.00 55.36 56.85 1g9l s GLN 41 Cb -0.00 0.34 0.20 0.00 1.10 0.00 0.00 33.01 34.65 1g9l s GLN 41 CO 0.02 -0.12 0.56 0.94 -0.55 0.00 0.00 175.29 176.14 1g9l n GLN 42 N 4.51 1.89 -2.07 1.67 7.27 -1.26 -5.05 117.38 124.34 1g9l n GLN 42 Ca -0.15 -4.41 -0.36 0.00 0.07 0.00 0.00 57.00 52.15 1g9l n GLN 42 Cb 0.55 -2.19 -0.03 0.00 2.41 0.00 0.00 30.24 30.97 1g9l n GLN 42 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1g9l s PRO 43 N -1.67 2.64 -0.33 3.69 0.04 -1.26 -4.95 135.00 133.16 1g9l s PRO 43 Ca 0.31 0.38 -0.27 0.00 0.04 0.00 0.00 61.00 61.45 1g9l s PRO 43 Cb 0.03 -4.53 0.01 0.00 0.04 0.00 0.00 34.50 30.06 1g9l s PRO 43 CO -0.12 -2.84 1.00 0.00 0.04 0.00 0.00 177.00 175.08 1g9l s ALA 44 N 9.11 3.48 0.18 8.56 0.00 -1.26 -5.04 121.76 136.80 1g9l s ALA 44 Ca 0.66 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.46 1g9l s ALA 44 Cb -0.11 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 1g9l s ALA 44 CO 0.16 -1.47 0.32 0.54 0.00 0.00 0.00 175.76 175.31 1g9l s VAL 45 N 3.52 5.29 -0.19 0.00 0.11 -1.26 -5.07 120.40 122.80 1g9l s VAL 45 Ca 0.42 -0.72 -0.29 0.00 -2.93 0.00 0.00 61.98 58.45 1g9l s VAL 45 Cb -0.12 -3.77 0.00 0.00 -1.53 0.00 0.00 36.38 30.96 1g9l s VAL 45 CO 0.16 -0.17 1.03 -1.00 -3.33 0.00 0.00 175.10 171.79 1g9l s HIS 46 N -1.82 3.38 -0.22 1.54 3.76 -1.26 -5.03 115.29 115.65 1g9l s HIS 46 Ca 0.35 1.50 -0.11 0.00 -0.15 0.00 0.00 55.06 56.65 1g9l s HIS 46 Cb -0.11 -3.25 -0.05 0.00 1.11 0.00 0.00 32.58 30.29 1g9l s HIS 46 CO 0.29 -0.43 0.16 0.08 -0.85 0.00 0.00 174.74 173.99 1g9l s VAL 47 N 2.83 5.37 -0.43 -0.90 1.01 -1.26 -5.06 120.40 121.96 1g9l s VAL 47 Ca 0.46 0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.46 1g9l s VAL 47 Cb -0.16 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.74 1g9l s VAL 47 CO 0.10 0.38 0.56 -1.10 0.00 0.00 0.00 175.10 175.05 1g9l s GLN 48 N 0.74 3.20 -0.19 2.72 -1.52 -1.26 -4.94 119.66 118.41 1g9l s GLN 48 Ca 0.09 -0.53 -0.01 0.00 -1.95 0.00 0.00 55.36 52.96 1g9l s GLN 48 Cb -0.12 -3.96 0.10 0.00 -0.22 0.00 0.00 33.01 28.81 1g9l s GLN 48 CO 0.02 -0.95 2.13 0.41 -0.25 0.00 0.00 175.29 176.65 1g9l n GLY 49 N 5.07 3.46 2.52 3.09 0.00 -1.26 -4.65 105.19 113.41 1g9l n GLY 49 Ca -0.04 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 1g9l n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g9l n GLN 50 N 0.91 4.68 -3.04 1.61 6.02 -1.26 -4.94 117.38 121.36 1g9l n GLN 50 Ca 0.20 -3.66 -0.43 0.00 -0.01 0.00 0.00 57.00 53.10 1g9l n GLN 50 Cb 0.56 -2.58 -0.06 0.00 1.02 0.00 0.00 30.24 29.19 1g9l n GLN 50 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1g9l s GLU 51 N -1.84 3.24 0.36 -1.09 2.02 -1.26 -5.05 118.70 115.07 1g9l s GLU 51 Ca 0.51 -0.54 -0.06 0.00 0.02 0.00 0.00 54.97 54.91 1g9l s GLU 51 Cb 0.20 -4.04 0.09 0.00 0.10 0.00 0.00 34.13 30.47 1g9l s GLU 51 CO -0.11 -1.25 0.38 -0.35 0.02 0.00 0.00 175.26 173.95 1g9l n PRO 52 N 6.62 -1.16 -2.89 0.39 -0.04 -1.26 -5.04 135.00 131.63 1g9l n PRO 52 Ca -0.02 -0.60 -0.32 0.00 -0.04 0.00 0.00 63.50 62.52 1g9l n PRO 52 Cb 0.47 -0.49 -0.05 0.00 -0.04 0.00 0.00 33.50 33.39 1g9l n PRO 52 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1g9l s LEU 53 N 0.00 3.91 0.00 1.53 0.20 -1.26 -4.92 118.68 118.15 1g9l s LEU 53 Ca 0.23 1.38 0.00 0.00 0.69 0.00 0.00 54.13 56.43 1g9l s LEU 53 Cb -0.02 -4.23 0.00 0.00 -0.43 0.00 0.00 46.19 41.51 1g9l s LEU 53 CO 0.17 -0.34 0.00 0.35 -0.29 0.00 0.00 176.35 176.24 1g9l n THR 54 N -0.83 0.00 0.01 3.68 -2.24 -1.26 -4.85 114.28 108.79 1g9l n THR 54 Ca 0.04 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.95 1g9l n THR 54 Cb 0.54 0.00 0.58 0.00 -2.10 0.00 0.00 70.33 69.34 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 2.13 0.04 6.98 0.00 -1.50 -1.23 119.26 127.68 1g9l h ALA 55 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1g9l h ALA 55 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1g9l h ALA 55 CO 0.00 -0.23 -0.02 0.77 0.00 0.00 0.00 179.25 179.77 1g9l h SER 56 N 0.23 -0.05 -0.73 0.00 0.02 -1.86 0.11 113.55 111.26 1g9l h SER 56 Ca 0.21 -0.33 0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1g9l h SER 56 Cb 0.53 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 1g9l h SER 56 CO -0.04 0.30 0.48 0.24 -1.14 0.00 0.00 176.83 176.67 1g9l h MET 57 N -0.41 0.75 -0.41 3.45 2.07 -1.73 -0.81 114.93 117.84 1g9l h MET 57 Ca -0.01 -0.05 -0.11 0.00 -2.07 0.00 0.00 59.70 57.47 1g9l h MET 57 Cb 0.37 -0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 29.92 1g9l h MET 57 CO 0.01 0.50 -0.18 -0.07 1.07 0.00 0.00 176.91 178.23 1g9l h LEU 58 N 0.78 0.87 -0.74 1.22 3.38 -1.08 -2.44 115.31 117.31 1g9l h LEU 58 Ca 0.31 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1g9l h LEU 58 Cb 0.23 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1g9l h LEU 58 CO -0.10 1.08 0.00 0.00 0.09 0.00 0.00 178.44 179.51 1g9l n ALA 59 N -2.49 1.13 0.58 1.53 0.00 0.35 -0.79 120.51 120.83 1g9l n ALA 59 Ca -0.01 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1g9l n ALA 59 Cb 0.42 -1.20 0.45 0.00 0.00 0.00 0.00 19.45 19.13 1g9l n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1g9l n SER 60 N -1.92 0.56 -3.10 0.00 7.64 -0.92 -3.88 113.62 112.00 1g9l n SER 60 Ca -0.00 0.59 -0.16 0.00 1.01 0.00 0.00 58.87 60.30 1g9l n SER 60 Cb 0.05 -0.73 -0.01 0.00 -1.01 0.00 0.00 64.21 62.51 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 -1.71 1.93 -0.08 -0.43 0.00 0.03 -5.00 120.51 115.25 1g9l n ALA 61 Ca 0.04 -3.22 -0.07 0.00 0.00 0.00 0.00 53.44 50.20 1g9l n ALA 61 Cb 0.32 -0.95 -0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 2.99 -0.12 -0.77 0.00 0.11 -1.67 0.42 132.00 132.96 1g9l h PRO 62 Ca 0.06 0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.05 1g9l h PRO 62 Cb 1.00 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.06 1g9l h PRO 62 CO 0.47 -0.08 0.17 -0.35 -0.21 0.00 0.00 178.00 177.99 1g9l n PRO 63 N -5.34 3.43 0.00 1.05 -0.04 -1.26 -4.32 135.00 128.52 1g9l n PRO 63 Ca 0.01 -2.46 0.00 0.00 -0.04 0.00 0.00 63.50 61.00 1g9l n PRO 63 Cb 0.25 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 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 0.08 0.00 -1.00 0.54 -0.06 -0.69 -4.98 117.38 111.28 1g9l n GLN 64 Ca 0.30 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 55.17 1g9l n GLN 64 Cb 1.14 0.00 0.20 0.00 -4.06 0.00 0.00 30.24 27.52 1g9l n GLN 64 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 1g9l n GLU 65 N 0.00 2.10 0.32 3.69 0.28 -0.87 -4.65 120.64 121.50 1g9l n GLU 65 Ca 0.00 -3.11 -0.13 0.00 -0.16 0.00 0.00 57.16 53.76 1g9l n GLU 65 Cb 0.00 -1.99 -0.06 0.00 1.43 0.00 0.00 31.44 30.82 1g9l n GLU 65 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1g9l h GLN 66 N 1.07 -0.83 -0.99 3.44 4.15 -0.35 -1.62 115.11 119.98 1g9l h GLN 66 Ca 0.40 0.06 -0.26 0.00 0.77 0.00 0.00 58.65 59.62 1g9l h GLN 66 Cb 2.21 0.19 -0.15 0.00 0.21 0.00 0.00 27.48 29.93 1g9l h GLN 66 CO 0.71 -0.55 0.33 0.36 -1.93 0.00 0.00 178.83 177.74 1g9l n LYS 67 N -5.32 1.67 0.00 1.69 2.85 -1.26 -3.96 118.16 113.82 1g9l n LYS 67 Ca -0.11 -1.53 0.00 0.00 -1.05 0.00 0.00 58.31 55.62 1g9l n LYS 67 Cb 0.34 -1.61 0.00 0.00 -0.65 0.00 0.00 35.03 33.11 1g9l n LYS 67 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 1g9l n GLN 68 N -0.32 0.00 0.00 -1.58 0.00 -1.18 -4.73 117.38 109.56 1g9l n GLN 68 Ca 0.30 0.00 0.10 0.00 -0.00 0.00 0.00 57.00 57.40 1g9l n GLN 68 Cb 1.09 -0.58 0.47 0.00 0.00 0.00 0.00 30.24 31.22 1g9l n GLN 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1g9l n MET 69 N -2.64 0.07 0.11 3.69 2.81 -0.62 -2.75 117.12 117.80 1g9l n MET 69 Ca 0.00 0.12 -0.13 0.00 -1.81 0.00 0.00 57.70 55.89 1g9l n MET 69 Cb 0.38 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.33 1g9l n MET 69 CO 0.00 0.00 0.00 1.37 1.51 0.00 0.00 175.97 178.85 1g9l h LEU 70 N 0.00 -0.39 -2.88 4.03 8.10 -1.80 -2.62 115.31 119.74 1g9l h LEU 70 Ca 0.00 0.04 -0.01 0.00 0.11 0.00 0.00 57.88 58.02 1g9l h LEU 70 Cb 0.33 0.14 -0.02 0.00 -0.44 0.00 0.00 40.66 40.66 1g9l h LEU 70 CO 0.00 -0.22 -0.27 0.61 -4.11 0.00 0.00 178.44 174.45 1g9l n GLY 71 N -1.27 4.21 0.00 0.17 0.00 -1.24 -4.43 105.19 102.62 1g9l n GLY 71 Ca -0.07 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.06 -0.01 0.00 1.61 1.02 -1.11 -4.13 120.64 116.96 1g9l n GLU 72 Ca 0.14 -0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1g9l n GLU 72 Cb 0.69 -0.58 0.00 0.00 -0.02 0.00 0.00 31.44 31.53 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 -0.02 1.57 -0.29 3.49 3.00 -1.00 -4.72 116.66 118.71 1g9l n ARG 73 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1g9l n ARG 73 Cb 0.27 -0.86 0.20 0.00 0.00 0.00 0.00 32.46 32.07 1g9l n ARG 73 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1g9l h LEU 74 N 0.00 0.97 -0.29 6.15 -0.00 -1.76 -3.33 115.31 117.05 1g9l h LEU 74 Ca 0.00 -0.02 0.03 0.00 -0.00 0.00 0.00 57.88 57.89 1g9l h LEU 74 Cb 0.72 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 41.11 1g9l h LEU 74 CO 0.00 0.69 -0.17 0.33 -0.00 0.00 0.00 178.44 179.28 1g9l n PHE 75 N -4.42 -0.13 0.16 1.13 7.35 -1.26 0.18 117.46 120.46 1g9l n PHE 75 Ca 0.10 0.36 0.01 0.00 -0.76 0.00 0.00 57.45 57.16 1g9l n PHE 75 Cb 0.06 -0.47 0.28 0.00 0.35 0.00 0.00 39.48 39.69 1g9l n PHE 75 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1g9l h PRO 76 N 0.00 0.04 0.00 -7.13 0.11 -1.94 -2.88 132.00 120.20 1g9l h PRO 76 Ca 0.05 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1g9l h PRO 76 Cb 0.12 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1g9l h PRO 76 CO -0.27 0.49 -0.19 -0.07 -0.21 0.00 0.00 178.00 177.75 1g9l h LEU 77 N 0.03 0.00 -0.12 2.35 3.38 0.17 -3.29 115.31 117.83 1g9l h LEU 77 Ca -0.00 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1g9l h LEU 77 Cb 0.82 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.57 1g9l h LEU 77 CO 0.06 0.01 -0.51 0.40 0.09 0.00 0.00 178.44 178.49 1g9l h ILE 78 N 0.00 1.35 0.00 1.22 1.08 1.00 -2.74 117.51 119.42 1g9l h ILE 78 Ca 0.00 -1.81 0.00 0.00 -0.39 0.00 0.00 64.86 62.66 1g9l h ILE 78 Cb 0.88 2.14 0.00 0.00 -3.07 0.00 0.00 36.82 36.77 1g9l h ILE 78 CO 0.00 0.55 0.45 1.56 -0.69 0.00 0.00 178.15 180.02 1g9l h GLN 79 N 0.18 0.00 0.23 2.37 4.20 -1.61 0.69 115.11 121.17 1g9l h GLN 79 Ca -0.03 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.35 1g9l h GLN 79 Cb 1.15 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.97 1g9l h GLN 79 CO 0.11 0.00 -1.43 0.00 -0.67 0.00 0.00 178.83 176.84 1g9l h ALA 80 N 1.09 -0.14 0.04 3.87 0.00 -1.63 -3.19 119.26 119.30 1g9l h ALA 80 Ca 0.00 -0.84 -0.00 0.00 0.00 0.00 0.00 54.91 54.07 1g9l h ALA 80 Cb 0.89 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1g9l h ALA 80 CO 0.00 0.68 -0.02 0.52 0.00 0.00 0.00 179.25 180.43 1g9l h MET 81 N 0.15 -0.05 -6.30 0.00 2.86 0.35 -3.45 114.93 108.48 1g9l h MET 81 Ca -0.25 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 56.79 1g9l h MET 81 Cb 2.12 0.01 -0.10 0.00 0.06 0.00 0.00 31.60 33.69 1g9l h MET 81 CO 0.27 0.46 -0.63 -1.01 1.06 0.00 0.00 176.91 177.05 1g9l s HIS 82 N -4.01 2.95 -1.08 -0.22 4.02 -0.38 -5.01 115.29 111.57 1g9l s HIS 82 Ca -0.16 -0.08 -0.26 0.00 1.02 0.00 0.00 55.06 55.58 1g9l s HIS 82 Cb 0.01 -1.45 -0.20 0.00 -1.02 0.00 0.00 32.58 29.92 1g9l s HIS 82 CO 0.64 0.51 2.11 -1.25 1.02 0.00 0.00 174.74 177.77 1g9l s PRO 83 N -2.85 1.36 -0.76 8.40 0.04 -1.26 -3.77 135.00 136.16 1g9l s PRO 83 Ca 0.28 -0.47 -0.08 0.00 0.04 0.00 0.00 61.00 60.78 1g9l s PRO 83 Cb -0.10 -5.00 0.08 0.00 0.04 0.00 0.00 34.50 29.52 1g9l s PRO 83 CO 0.20 -5.27 0.23 -2.37 0.04 0.00 0.00 177.00 169.83 1g9l n THR 84 N 8.88 -0.17 1.15 1.26 5.66 -1.20 -4.75 114.28 125.10 1g9l n THR 84 Ca 0.42 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.48 1g9l n THR 84 Cb 0.47 -0.49 0.18 0.00 -1.55 0.00 0.00 70.33 68.93 1g9l n THR 84 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1g9l n LEU 85 N -3.11 1.49 -1.63 1.09 4.32 -1.25 -4.41 117.00 113.50 1g9l n LEU 85 Ca 0.02 -0.72 -0.00 0.00 -0.02 0.00 0.00 56.01 55.29 1g9l n LEU 85 Cb 0.50 -0.17 -0.01 0.00 -1.62 0.00 0.00 43.42 42.12 1g9l n LEU 85 CO 0.34 0.36 0.81 0.00 -1.22 0.00 0.00 177.39 177.69 1g9l n ALA 86 N 0.29 3.54 0.59 -1.18 0.00 -1.26 -4.17 120.51 118.31 1g9l n ALA 86 Ca 0.11 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.60 1g9l n ALA 86 Cb 0.25 -1.26 0.45 0.00 0.00 0.00 0.00 19.45 18.89 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 1.65 -1.35 1.01 0.00 0.00 -1.26 -4.28 105.19 100.96 1g9l n GLY 87 Ca 0.01 -0.01 -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 -1.92 0.06 0.00 1.61 4.81 -1.26 -5.05 118.16 116.41 1g9l n LYS 88 Ca 0.04 -0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1g9l n LYS 88 Cb 0.28 0.30 0.00 0.00 0.02 0.00 0.00 35.03 35.63 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 -0.07 0.00 -0.34 3.15 5.41 -1.26 -3.44 119.36 122.82 1g9l n ILE 89 Ca -0.02 0.00 0.13 0.00 1.00 0.00 0.00 62.75 63.85 1g9l n ILE 89 Cb 0.40 -0.00 0.31 0.00 -0.71 0.00 0.00 39.64 39.64 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 0.68 -0.60 1.39 2.02 -1.90 0.62 112.91 115.11 1g9l h THR 90 Ca 0.00 -0.24 0.15 0.00 0.77 0.00 0.00 66.41 67.09 1g9l h THR 90 Cb 0.00 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.29 1g9l h THR 90 CO 0.00 0.13 0.42 1.23 0.37 0.00 0.00 175.52 177.67 1g9l h GLY 91 N 0.70 0.25 1.76 2.16 0.00 -1.79 0.38 103.07 106.53 1g9l h GLY 91 Ca 0.57 -0.07 -0.13 0.00 0.00 0.00 0.00 47.33 47.71 1g9l h GLY 91 CO -0.40 0.03 -0.75 1.98 0.00 0.00 0.00 176.54 177.40 1g9l h MET 92 N 0.16 0.00 0.00 4.80 1.85 0.16 -3.19 114.93 118.71 1g9l h MET 92 Ca 0.29 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.38 1g9l h MET 92 Cb 0.92 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.95 1g9l h MET 92 CO -0.04 0.48 0.00 1.28 -0.40 0.00 0.00 176.91 178.23 1g9l n LEU 93 N -3.15 0.00 -1.72 3.39 7.99 0.13 0.97 117.00 124.61 1g9l n LEU 93 Ca -0.01 0.39 -0.10 0.00 -0.01 0.00 0.00 56.01 56.28 1g9l n LEU 93 Cb 0.77 -0.39 0.23 0.00 -0.11 0.00 0.00 43.42 43.93 1g9l n LEU 93 CO 0.42 -0.39 0.99 0.18 -1.51 0.00 0.00 177.39 177.07 1g9l n LEU 94 N -1.39 5.51 0.00 2.23 7.99 -1.18 -4.09 117.00 126.08 1g9l n LEU 94 Ca 0.00 -3.48 0.00 0.00 -0.01 0.00 0.00 56.01 52.52 1g9l n LEU 94 Cb 0.00 -0.72 0.00 0.00 -0.11 0.00 0.00 43.42 42.59 1g9l n LEU 94 CO 0.00 1.00 0.00 -1.84 -1.51 0.00 0.00 177.39 175.04 1g9l n GLU 95 N -0.79 0.00 0.00 3.23 0.28 0.27 -5.10 120.64 118.53 1g9l n GLU 95 Ca 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.43 1g9l n GLU 95 Cb 1.33 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.20 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 0.13 -4.64 119.36 118.69 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 -0.06 0.00 0.00 -0.00 0.00 0.00 39.64 39.75 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 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1g9l n ASP 97 Cb 0.00 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 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 -1.14 0.00 0.15 1.67 5.03 -1.26 -4.66 115.26 115.06 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 -0.00 0.21 0.00 -1.02 0.00 0.00 39.78 38.97 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 1.63 6.41 0.02 -1.98 -2.57 113.55 117.06 1g9l h SER 99 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 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 -0.34 -0.33 -1.14 0.00 0.00 176.83 175.55 1g9l h GLU 100 N 0.00 0.00 0.00 3.45 5.08 -1.93 -1.11 114.58 120.07 1g9l h GLU 100 Ca -0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1g9l h GLU 100 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1g9l h GLU 100 CO 0.07 0.34 -0.40 1.25 -1.00 0.00 0.00 179.01 179.28 1g9l h LEU 101 N 0.00 0.00 0.07 1.33 6.46 -1.63 -2.34 115.31 119.19 1g9l h LEU 101 Ca -0.00 0.00 -0.27 0.00 -0.12 0.00 0.00 57.88 57.49 1g9l h LEU 101 Cb 1.25 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.16 1g9l h LEU 101 CO 0.04 0.40 -1.44 -0.07 -0.62 0.00 0.00 178.44 176.75 1g9l h LEU 102 N 0.00 0.22 -0.36 2.25 4.07 -1.33 -3.34 115.31 116.82 1g9l h LEU 102 Ca -0.00 -0.75 -0.01 0.00 0.08 0.00 0.00 57.88 57.20 1g9l h LEU 102 Cb 1.06 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.71 1g9l h LEU 102 CO 0.05 1.61 0.19 -0.74 -1.08 0.00 0.00 178.44 178.46 1g9l h HIS 103 N -0.52 0.50 -0.71 1.13 2.76 -1.28 -2.34 115.15 114.71 1g9l h HIS 103 Ca -0.34 -0.02 0.16 0.00 -2.20 0.00 0.00 60.37 57.97 1g9l h HIS 103 Cb 1.62 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 30.38 1g9l h HIS 103 CO 0.11 0.41 0.48 0.00 -1.30 0.00 0.00 177.93 177.63 1g9l h MET 104 N 0.45 0.26 0.00 5.26 -0.00 -1.60 0.47 114.93 119.77 1g9l h MET 104 Ca 0.13 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.81 1g9l h MET 104 Cb 0.08 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 31.63 1g9l h MET 104 CO -0.02 0.17 -0.30 1.28 -0.00 0.00 0.00 176.91 178.04 1g9l n LEU 105 N -4.44 0.43 -0.18 -0.10 4.77 -0.95 -2.51 117.00 114.02 1g9l n LEU 105 Ca 0.14 0.28 0.05 0.00 -0.03 0.00 0.00 56.01 56.45 1g9l n LEU 105 Cb 0.59 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1g9l n LEU 105 CO 0.34 0.01 0.15 -1.84 -1.33 0.00 0.00 177.39 174.72 1g9l n GLU 106 N -1.73 2.43 -3.79 3.23 0.28 0.14 -4.76 120.64 116.44 1g9l n GLU 106 Ca 0.06 -0.47 -0.13 0.00 -0.16 0.00 0.00 57.16 56.46 1g9l n GLU 106 Cb 0.37 -1.08 -0.12 0.00 1.43 0.00 0.00 31.44 32.04 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 -1.59 -0.25 0.00 -1.84 0.15 0.42 -5.02 113.70 105.57 1g9l s SER 107 Ca 0.08 0.48 0.17 0.00 0.70 0.00 0.00 55.95 57.38 1g9l s SER 107 Cb 0.09 0.50 1.02 0.00 -1.71 0.00 0.00 66.02 65.92 1g9l s SER 107 CO 0.32 -0.09 1.56 -0.81 1.20 0.00 0.00 173.24 175.42 1g9l n PRO 108 N 2.92 0.85 0.00 5.44 -0.04 -1.26 -2.93 135.00 139.98 1g9l n PRO 108 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1g9l n PRO 108 Cb 0.58 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 1g9l n PRO 108 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1g9l n GLU 109 N -0.82 1.38 0.29 0.54 1.02 -1.26 -4.66 120.64 117.14 1g9l n GLU 109 Ca 0.13 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.12 1g9l n GLU 109 Cb 0.06 -0.95 -0.08 0.00 -0.02 0.00 0.00 31.44 30.45 1g9l n GLU 109 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1g9l h SER 110 N 0.00 -0.63 -0.69 1.62 4.64 -1.79 0.27 113.55 116.97 1g9l h SER 110 Ca 0.00 -0.04 0.20 0.00 -0.47 0.00 0.00 61.79 61.48 1g9l h SER 110 Cb 0.23 0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 1g9l h SER 110 CO 0.00 -0.31 0.57 0.25 -0.87 0.00 0.00 176.83 176.47 1g9l h LEU 111 N -0.96 0.00 0.00 5.97 6.46 -1.69 0.49 115.31 125.58 1g9l h LEU 111 Ca -0.08 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1g9l h LEU 111 Cb 0.64 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 1g9l h LEU 111 CO 0.12 0.00 -0.45 -0.09 -0.62 0.00 0.00 178.44 177.40 1g9l h ARG 112 N 0.00 0.00 -0.72 1.25 2.43 -1.78 -2.88 114.38 112.68 1g9l h ARG 112 Ca 0.33 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.61 1g9l h ARG 112 Cb 1.47 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.97 1g9l h ARG 112 CO -0.00 0.00 0.48 0.77 -1.51 0.00 0.00 179.97 179.70 1g9l h SER 113 N -0.92 0.49 0.74 -3.80 0.02 -0.25 0.17 113.55 109.99 1g9l h SER 113 Ca 0.00 0.02 -0.24 0.00 -0.84 0.00 0.00 61.79 60.73 1g9l h SER 113 Cb 0.45 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1g9l h SER 113 CO 0.00 0.28 -1.09 0.11 -1.14 0.00 0.00 176.83 174.99 1g9l h LYS 114 N 0.53 0.17 0.25 3.45 1.57 -0.20 -2.28 116.57 120.07 1g9l h LYS 114 Ca 0.34 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1g9l h LYS 114 Cb 0.60 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1g9l h LYS 114 CO -0.12 1.10 -0.12 0.28 -0.57 0.00 0.00 179.45 180.03 1g9l h VAL 115 N 0.06 0.81 -0.71 0.50 2.07 -0.88 0.61 116.25 118.71 1g9l h VAL 115 Ca -0.08 -0.61 0.08 0.00 0.82 0.00 0.00 66.70 66.91 1g9l h VAL 115 Cb 1.82 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 32.68 1g9l h VAL 115 CO 0.17 0.13 0.47 -0.78 0.02 0.00 0.00 177.57 177.57 1g9l h ASP 116 N -0.66 0.59 0.74 0.57 3.58 -0.84 0.23 116.42 120.63 1g9l h ASP 116 Ca -0.03 0.01 -0.16 0.00 0.42 0.00 0.00 57.03 57.26 1g9l h ASP 116 Cb 0.46 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 1g9l h ASP 116 CO 0.06 0.37 -0.76 -0.33 -2.88 0.00 0.00 179.24 175.70 1g9l h GLU 117 N 0.66 0.01 0.00 0.28 4.39 -1.24 -2.65 114.58 116.04 1g9l h GLU 117 Ca 0.32 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1g9l h GLU 117 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1g9l h GLU 117 CO -0.11 0.76 0.00 0.00 -1.16 0.00 0.00 179.01 178.51 1g9l h ALA 118 N 1.23 1.00 -0.04 3.43 0.00 0.33 -2.72 119.26 122.49 1g9l h ALA 118 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1g9l h ALA 118 Cb 1.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1g9l h ALA 118 CO 0.10 0.00 -0.02 0.28 0.00 0.00 0.00 179.25 179.61 1g9l h VAL 119 N 0.00 1.33 -0.13 0.00 2.07 -0.52 0.88 116.25 119.88 1g9l h VAL 119 Ca 0.00 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.53 1g9l h VAL 119 Cb 0.59 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1g9l h VAL 119 CO 0.00 0.28 0.12 0.00 0.02 0.00 0.00 177.57 177.99 1g9l h ALA 120 N 0.60 1.89 0.04 1.67 0.00 -1.45 0.34 119.26 122.34 1g9l h ALA 120 Ca 0.01 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1g9l h ALA 120 Cb 0.46 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1g9l h ALA 120 CO 0.01 -0.19 -1.44 0.28 0.00 0.00 0.00 179.25 177.90 1g9l h VAL 121 N 0.00 1.20 -0.30 0.00 2.07 -1.16 -2.91 116.25 115.14 1g9l h VAL 121 Ca 0.06 -2.95 -0.13 0.00 0.82 0.00 0.00 66.70 64.50 1g9l h VAL 121 Cb 0.30 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1g9l h VAL 121 CO -0.00 0.75 -0.33 0.25 0.02 0.00 0.00 177.57 178.26 1g9l h LEU 122 N 0.02 0.82 -1.23 2.57 5.85 0.29 -0.40 115.31 123.22 1g9l h LEU 122 Ca -0.19 -0.48 -0.07 0.00 0.84 0.00 0.00 57.88 57.98 1g9l h LEU 122 Cb 1.94 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.73 1g9l h LEU 122 CO 0.12 1.13 -0.35 1.56 -0.34 0.00 0.00 178.44 180.56 1g9l h GLN 123 N 0.52 0.00 0.00 1.25 1.08 -0.55 0.19 115.11 117.59 1g9l h GLN 123 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1g9l h GLN 123 Cb 0.91 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 1g9l h GLN 123 CO 0.08 0.35 -0.39 0.00 -0.95 0.00 0.00 178.83 177.92 1g9l n ALA 124 N -2.38 2.88 -0.03 3.87 0.00 -1.10 -3.61 120.51 120.14 1g9l n ALA 124 Ca -0.01 -0.21 0.02 0.00 0.00 0.00 0.00 53.44 53.24 1g9l n ALA 124 Cb 0.42 -1.26 0.06 0.00 0.00 0.00 0.00 19.45 18.68 1g9l n ALA 124 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1g9l n HIS 125 N -1.88 0.17 0.00 0.00 8.25 -0.18 -4.48 115.22 117.10 1g9l n HIS 125 Ca 0.05 -0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.10 1g9l n HIS 125 Cb 0.40 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.47 1g9l n HIS 125 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1g9l n GLN 126 N 0.01 0.00 -0.71 -0.41 6.02 0.59 -4.70 117.38 118.18 1g9l n GLN 126 Ca 0.05 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.09 1g9l n GLN 126 Cb 0.29 0.00 0.32 0.00 1.02 0.00 0.00 30.24 31.87 1g9l n GLN 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1g9l n ALA 127 N -3.00 3.62 -1.09 -1.58 0.00 -1.26 -4.48 120.51 112.72 1g9l n ALA 127 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 53.44 51.92 1g9l n ALA 127 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 0.47 3.54 -0.01 0.00 5.02 -1.26 -4.86 118.16 121.06 1g9l n LYS 128 Ca 0.22 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.53 1g9l n LYS 128 Cb 1.01 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 36.14 1g9l n LYS 128 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1g9l n GLU 129 N 0.00 1.04 0.09 1.97 1.02 -1.26 -3.33 120.64 120.16 1g9l n GLU 129 Ca 0.00 -0.06 0.13 0.00 -0.02 0.00 0.00 57.16 57.21 1g9l n GLU 129 Cb 0.00 -1.07 0.41 0.00 -0.02 0.00 0.00 31.44 30.76 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 -0.51 2.37 0.26 0.62 0.00 -1.26 -3.40 120.51 118.59 1g9l n ALA 130 Ca 0.03 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.53 1g9l n ALA 130 Cb 0.03 -1.44 0.58 0.00 0.00 0.00 0.00 19.45 18.62 1g9l n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l h ALA 131 N 2.59 1.00 -1.83 0.00 0.00 -1.78 -3.38 119.26 115.87 1g9l h ALA 131 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1g9l h ALA 131 Cb 0.70 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.32 1g9l h ALA 131 CO 0.00 0.00 0.41 -0.65 0.00 0.00 0.00 179.25 179.01 1g9l s GLN 132 N -3.49 3.17 -0.42 0.00 -0.21 -1.22 -5.01 119.66 112.48 1g9l s GLN 132 Ca 0.00 -1.21 -0.26 0.00 0.02 0.00 0.00 55.36 53.91 1g9l s GLN 132 Cb 0.08 -4.35 0.02 0.00 1.00 0.00 0.00 33.01 29.75 1g9l s GLN 132 CO 0.29 -1.69 0.94 0.15 -2.12 0.00 0.00 175.29 172.86 1g9l s LYS 133 N 3.20 3.68 0.26 2.91 -0.14 -1.26 -5.03 119.74 123.37 1g9l s LYS 133 Ca 0.19 0.38 -0.25 0.00 -1.36 0.00 0.00 55.97 54.93 1g9l s LYS 133 Cb -0.18 -3.87 -0.09 0.00 -1.68 0.00 0.00 37.83 32.01 1g9l s LYS 133 CO 0.05 -1.12 0.86 0.00 -0.76 0.00 0.00 175.35 174.39 1g9l s ALA 134 N 3.69 3.32 -0.59 5.17 0.00 -1.26 -5.03 121.76 127.06 1g9l s ALA 134 Ca 0.38 0.43 -0.12 0.00 0.00 0.00 0.00 51.96 52.65 1g9l s ALA 134 Cb -0.11 -3.06 0.15 0.00 0.00 0.00 0.00 23.12 20.10 1g9l s ALA 134 CO 0.23 0.24 0.49 0.14 0.00 0.00 0.00 175.76 176.86 1g9l s VAL 135 N -1.45 4.76 -1.85 0.00 -7.23 -1.26 -4.87 120.40 108.50 1g9l s VAL 135 Ca 0.45 -1.98 0.25 0.00 -1.81 0.00 0.00 61.98 58.89 1g9l s VAL 135 Cb -0.20 -4.06 0.20 0.00 0.56 0.00 0.00 36.38 32.88 1g9l s VAL 135 CO 0.25 -0.87 1.43 -3.20 -0.31 0.00 0.00 175.10 172.40 1g9l n ASN 136 N 4.65 1.32 -0.06 4.85 5.15 -1.26 -4.03 115.26 125.88 1g9l n ASN 136 Ca -0.03 -1.08 -0.11 0.00 -0.60 0.00 0.00 54.58 52.75 1g9l n ASN 136 Cb 0.42 0.23 -0.15 0.00 -0.53 0.00 0.00 39.78 39.75 1g9l n ASN 136 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1g9l n SER 137 N -0.46 0.73 -4.17 1.20 3.41 -1.26 -4.97 113.62 108.10 1g9l n SER 137 Ca 0.11 0.16 -0.26 0.00 -0.26 0.00 0.00 58.87 58.63 1g9l n SER 137 Cb 0.38 0.28 0.16 0.00 -0.26 0.00 0.00 64.21 64.77 1g9l n SER 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g9l n ALA 138 N -2.75 -0.67 -3.12 7.33 0.00 -1.26 -5.11 120.51 114.93 1g9l n ALA 138 Ca -0.28 -1.80 -0.19 0.00 0.00 0.00 0.00 53.44 51.17 1g9l n ALA 138 Cb 1.09 0.11 0.04 0.00 0.00 0.00 0.00 19.45 20.70 1g9l n ALA 138 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1g9l n THR 139 N -3.32 0.00 0.00 0.00 -1.04 -1.26 -5.04 114.28 103.62 1g9l n THR 139 Ca 0.16 -1.47 0.00 0.00 -2.04 0.00 0.00 64.05 60.70 1g9l n THR 139 Cb 0.57 -0.58 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 1g9l n THR 139 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1g9l n GLY 140 N -0.26 1.29 3.78 3.41 0.00 -1.26 -4.98 105.19 107.17 1g9l n GLY 140 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 5.13 0.25 1.61 -7.23 -1.26 -5.06 120.40 113.84 1g9l s VAL 141 Ca 0.00 0.07 -0.30 0.00 -1.81 0.00 0.00 61.98 59.94 1g9l s VAL 141 Cb 0.00 -3.25 -0.14 0.00 0.56 0.00 0.00 36.38 33.56 1g9l s VAL 141 CO 0.00 0.57 1.30 -2.65 -0.31 0.00 0.00 175.10 174.00 1g9l n PRO 142 N 2.48 1.83 -2.77 4.82 -0.02 -1.26 -4.89 135.00 135.19 1g9l n PRO 142 Ca -0.19 0.65 -0.44 0.00 -2.02 0.00 0.00 63.50 61.51 1g9l n PRO 142 Cb 0.54 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1g9l n PRO 142 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1g9l n THR 143 N 1.36 4.21 -0.27 3.45 -2.24 -1.26 -5.28 114.28 114.25 1g9l n THR 143 Ca 0.11 -4.56 0.00 0.00 -2.27 0.00 0.00 64.05 57.33 1g9l n THR 143 Cb 0.31 -2.44 0.00 0.00 -2.10 0.00 0.00 70.33 66.11 1g9l n THR 143 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02