#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 -0.81 0.00 1.61 0.11 -1.98 -3.45 132.00 127.48 1g9l h PRO 2 Ca 0.00 0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.02 1g9l h PRO 2 Cb 0.00 0.18 0.03 0.00 0.11 0.00 0.00 31.00 31.33 1g9l h PRO 2 CO 0.00 -0.54 0.06 1.28 -0.21 0.00 0.00 178.00 178.59 1g9l n LEU 3 N -4.47 0.00 -3.37 2.35 4.77 -1.26 -5.01 117.00 110.02 1g9l n LEU 3 Ca -0.10 -0.64 -0.40 0.00 -0.03 0.00 0.00 56.01 54.84 1g9l n LEU 3 Cb 0.35 -0.23 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1g9l n LEU 3 CO 0.24 -0.69 1.36 0.61 -1.33 0.00 0.00 177.39 177.59 1g9l n GLY 4 N 2.46 5.94 0.28 -0.72 0.00 -1.26 -4.63 105.19 107.26 1g9l n GLY 4 Ca 0.05 -2.57 -0.06 0.00 0.00 0.00 0.00 46.02 43.44 1g9l n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1g9l n SER 5 N -0.22 1.50 -2.64 1.61 2.88 -1.26 -5.08 113.62 110.42 1g9l n SER 5 Ca 0.48 0.25 -0.06 0.00 -1.33 0.00 0.00 58.87 58.21 1g9l n SER 5 Cb 0.27 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 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 -3.99 0.19 -3.25 -1.46 0.00 -1.26 -5.14 120.51 105.60 1g9l n ALA 6 Ca -0.09 -0.50 -0.03 0.00 0.00 0.00 0.00 53.44 52.81 1g9l n ALA 6 Cb 0.35 0.21 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 1g9l n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l s ALA 7 N -2.18 -1.68 0.00 0.00 0.00 -1.26 -4.81 121.76 111.83 1g9l s ALA 7 Ca 0.07 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1g9l s ALA 7 Cb -0.01 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.95 1g9l s ALA 7 CO 0.04 -1.65 0.00 0.00 0.00 0.00 0.00 175.76 174.16 1g9l n ALA 8 N 5.38 0.58 -3.17 0.00 0.00 -1.26 -5.08 120.51 116.96 1g9l n ALA 8 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.37 1g9l n ALA 8 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.30 -2.65 -3.62 0.00 0.00 -1.26 -5.00 120.51 107.68 1g9l n ALA 9 Ca 0.00 0.21 -0.15 0.00 0.00 0.00 0.00 53.44 53.50 1g9l n ALA 9 Cb 0.00 -1.87 -0.14 0.00 0.00 0.00 0.00 19.45 17.44 1g9l n ALA 9 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1g9l s THR 10 N -2.82 -0.37 -1.51 0.00 -1.32 -1.26 -4.98 115.64 103.38 1g9l s THR 10 Ca 0.07 0.22 0.17 0.00 -1.21 0.00 0.00 61.69 60.94 1g9l s THR 10 Cb -0.02 -0.46 0.33 0.00 -1.51 0.00 0.00 72.50 70.84 1g9l s THR 10 CO 0.79 0.06 1.50 -0.81 -2.21 0.00 0.00 174.62 173.95 1g9l n PRO 11 N 5.34 0.29 -2.55 7.08 -0.04 -1.26 -4.28 135.00 139.58 1g9l n PRO 11 Ca -0.06 0.11 -0.43 0.00 -0.04 0.00 0.00 63.50 63.08 1g9l n PRO 11 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.25 4.68 0.02 0.55 0.00 -1.26 -4.75 120.51 118.50 1g9l n ALA 12 Ca 0.09 -4.22 -0.02 0.00 0.00 0.00 0.00 53.44 49.28 1g9l n ALA 12 Cb 0.13 -3.09 0.16 0.00 0.00 0.00 0.00 19.45 16.64 1g9l n ALA 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1g9l n VAL 13 N 4.17 1.61 -0.12 0.00 0.31 -1.26 -4.10 118.33 118.93 1g9l n VAL 13 Ca 0.40 -0.77 -0.23 0.00 -0.01 0.00 0.00 64.34 63.73 1g9l n VAL 13 Cb 0.40 -0.52 -0.08 0.00 -0.91 0.00 0.00 33.84 32.72 1g9l n VAL 13 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1g9l n ARG 14 N 0.09 0.57 -3.39 5.55 0.63 -1.26 -5.00 116.66 113.84 1g9l n ARG 14 Ca 0.19 0.32 -0.21 0.00 -0.92 0.00 0.00 57.85 57.24 1g9l n ARG 14 Cb 0.84 -1.54 -0.00 0.00 0.45 0.00 0.00 32.46 32.21 1g9l n ARG 14 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1g9l s THR 15 N -2.54 4.33 0.22 5.15 -4.23 -1.26 -5.10 115.64 112.21 1g9l s THR 15 Ca -0.34 -0.79 -0.14 0.00 -1.18 0.00 0.00 61.69 59.24 1g9l s THR 15 Cb 0.11 -3.54 -0.08 0.00 1.34 0.00 0.00 72.50 70.33 1g9l s THR 15 CO 0.48 -0.27 0.62 0.68 -0.54 0.00 0.00 174.62 175.58 1g9l s VAL 16 N -2.27 4.80 0.53 2.29 -7.23 -1.26 -5.03 120.40 112.22 1g9l s VAL 16 Ca 0.44 0.81 -0.21 0.00 -1.81 0.00 0.00 61.98 61.22 1g9l s VAL 16 Cb -0.10 -3.69 -0.07 0.00 0.56 0.00 0.00 36.38 33.08 1g9l s VAL 16 CO 0.33 0.04 0.94 -2.65 -0.31 0.00 0.00 175.10 173.45 1g9l n PRO 17 N 0.23 1.04 -2.29 4.82 -0.02 -1.26 -4.83 135.00 132.69 1g9l n PRO 17 Ca -0.01 0.39 -0.34 0.00 -2.02 0.00 0.00 63.50 61.52 1g9l n PRO 17 Cb 0.52 -2.08 -0.04 0.00 -0.02 0.00 0.00 33.50 31.88 1g9l n PRO 17 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1g9l s GLN 18 N -2.42 3.09 0.24 -0.52 -0.21 -1.26 -4.73 119.66 113.86 1g9l s GLN 18 Ca 0.70 -1.17 0.25 0.00 0.02 0.00 0.00 55.36 55.16 1g9l s GLN 18 Cb -0.47 -5.30 0.92 0.00 1.00 0.00 0.00 33.01 29.17 1g9l s GLN 18 CO 0.51 -3.07 1.74 0.66 -2.12 0.00 0.00 175.29 173.01 1g9l n TYR 19 N 11.74 0.87 -3.20 0.91 4.02 -1.26 -4.34 117.16 125.90 1g9l n TYR 19 Ca 0.43 0.31 -0.46 0.00 -0.01 0.00 0.00 57.90 58.16 1g9l n TYR 19 Cb 0.47 -1.00 -0.02 0.00 -0.02 0.00 0.00 39.34 38.78 1g9l n TYR 19 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1g9l s LYS 20 N -3.24 3.70 -0.92 -0.72 3.01 -1.26 -4.99 119.74 115.32 1g9l s LYS 20 Ca 0.07 -2.38 -0.24 0.00 -1.01 0.00 0.00 55.97 52.40 1g9l s LYS 20 Cb 0.10 -4.61 0.03 0.00 -1.01 0.00 0.00 37.83 32.35 1g9l s LYS 20 CO 0.47 -1.44 1.50 -0.47 0.51 0.00 0.00 175.35 175.92 1g9l s TYR 21 N 0.72 2.33 -0.63 3.18 6.14 -1.26 -4.95 117.35 122.89 1g9l s TYR 21 Ca 0.25 -0.38 -0.28 0.00 0.64 0.00 0.00 57.07 57.30 1g9l s TYR 21 Cb -0.08 -4.57 0.03 0.00 0.42 0.00 0.00 41.96 37.76 1g9l s TYR 21 CO -0.09 -1.97 1.27 0.00 0.64 0.00 0.00 175.55 175.41 1g9l s ALA 22 N 6.03 2.88 0.15 3.97 0.00 -1.26 -5.00 121.76 128.52 1g9l s ALA 22 Ca 0.48 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 51.18 1g9l s ALA 22 Cb -0.03 -4.12 -0.07 0.00 0.00 0.00 0.00 23.12 18.90 1g9l s ALA 22 CO -0.01 -2.92 0.99 0.00 0.00 0.00 0.00 175.76 173.81 1g9l s ALA 23 N 5.44 3.29 -0.50 0.00 0.00 -1.26 -4.95 121.76 123.78 1g9l s ALA 23 Ca 0.42 0.63 -0.03 0.00 0.00 0.00 0.00 51.96 52.99 1g9l s ALA 23 Cb -0.08 -3.28 0.13 0.00 0.00 0.00 0.00 23.12 19.89 1g9l s ALA 23 CO 0.22 -0.02 2.55 0.41 0.00 0.00 0.00 175.76 178.93 1g9l n GLY 24 N 2.07 4.53 0.11 0.00 0.00 -1.26 -4.35 105.19 106.28 1g9l n GLY 24 Ca 0.02 -1.88 0.11 0.00 0.00 0.00 0.00 46.02 44.26 1g9l n GLY 24 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1g9l n VAL 25 N 0.55 0.62 -1.84 1.61 0.31 -1.26 -4.93 118.33 113.40 1g9l n VAL 25 Ca 0.48 -0.56 -0.29 0.00 -0.01 0.00 0.00 64.34 63.96 1g9l n VAL 25 Cb 0.52 -0.34 0.12 0.00 -0.91 0.00 0.00 33.84 33.22 1g9l n VAL 25 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1g9l s ARG 26 N -3.34 1.49 -0.39 5.55 0.52 -1.26 -5.01 118.95 116.51 1g9l s ARG 26 Ca -0.01 0.02 -0.24 0.00 -0.52 0.00 0.00 55.73 54.97 1g9l s ARG 26 Cb 0.10 -1.90 0.02 0.00 0.52 0.00 0.00 34.95 33.68 1g9l s ARG 26 CO 0.80 -1.90 0.86 -0.80 0.02 0.00 0.00 175.30 174.27 1g9l s ASN 27 N -4.56 6.58 -0.99 0.23 0.02 -1.26 -4.98 114.94 109.98 1g9l s ASN 27 Ca 0.65 0.37 -0.23 0.00 -1.02 0.00 0.00 52.86 52.63 1g9l s ASN 27 Cb -0.10 -2.43 -0.01 0.00 0.02 0.00 0.00 41.25 38.73 1g9l s ASN 27 CO 0.51 -0.84 1.76 -2.16 0.02 0.00 0.00 177.10 176.38 1g9l s PRO 28 N 3.35 3.00 0.45 -0.60 0.04 -1.26 -4.97 135.00 135.01 1g9l s PRO 28 Ca 0.35 -0.74 -0.08 0.00 0.04 0.00 0.00 61.00 60.57 1g9l s PRO 28 Cb -0.12 -5.21 0.10 0.00 0.04 0.00 0.00 34.50 29.31 1g9l s PRO 28 CO 0.19 -2.95 0.58 1.04 0.04 0.00 0.00 177.00 175.91 1g9l n GLN 29 N 8.80 -0.73 0.00 4.56 1.13 -1.26 -5.08 117.38 124.80 1g9l n GLN 29 Ca 0.38 -0.90 0.00 0.00 -1.94 0.00 0.00 57.00 54.54 1g9l n GLN 29 Cb 0.48 -0.63 0.00 0.00 0.11 0.00 0.00 30.24 30.21 1g9l n GLN 29 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1g9l n GLN 30 N -2.34 0.00 -2.62 -1.09 3.00 -1.26 -4.84 117.38 108.23 1g9l n GLN 30 Ca 0.07 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.92 1g9l n GLN 30 Cb 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 30.24 30.48 1g9l n GLN 30 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1g9l n HIS 31 N 0.00 -1.51 -0.90 1.08 8.25 -1.26 -4.82 115.22 116.06 1g9l n HIS 31 Ca 0.00 0.10 -0.15 0.00 -0.26 0.00 0.00 57.72 57.41 1g9l n HIS 31 Cb 0.00 -2.85 0.01 0.00 1.12 0.00 0.00 29.99 28.27 1g9l n HIS 31 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1g9l n LEU 32 N -3.01 6.22 -1.22 2.41 4.32 -1.26 -4.14 117.00 120.32 1g9l n LEU 32 Ca -0.12 -3.24 0.11 0.00 -0.02 0.00 0.00 56.01 52.74 1g9l n LEU 32 Cb 0.60 -1.11 0.28 0.00 -1.62 0.00 0.00 43.42 41.57 1g9l n LEU 32 CO 0.24 1.28 0.74 -3.20 -1.22 0.00 0.00 177.39 175.22 1g9l n ASN 33 N 0.72 3.72 -3.95 -1.43 5.15 -1.26 -4.72 115.26 113.48 1g9l n ASN 33 Ca 0.28 -1.99 -0.43 0.00 -0.60 0.00 0.00 54.58 51.84 1g9l n ASN 33 Cb 0.58 -0.41 0.01 0.00 -0.53 0.00 0.00 39.78 39.42 1g9l n ASN 33 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1g9l n ALA 34 N 1.47 5.18 -0.12 5.20 0.00 -1.26 -4.67 120.51 126.32 1g9l n ALA 34 Ca 0.22 -4.42 -0.24 0.00 0.00 0.00 0.00 53.44 49.00 1g9l n ALA 34 Cb 0.59 -2.84 -0.09 0.00 0.00 0.00 0.00 19.45 17.11 1g9l n ALA 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1g9l n GLN 35 N 3.45 0.57 -0.21 0.00 3.00 -1.26 -5.00 117.38 117.92 1g9l n GLN 35 Ca 0.36 0.37 -0.12 0.00 -0.01 0.00 0.00 57.00 57.60 1g9l n GLN 35 Cb 0.36 -1.58 0.11 0.00 0.00 0.00 0.00 30.24 29.14 1g9l n GLN 35 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1g9l n PRO 36 N -4.35 -2.71 -2.76 -1.09 -0.02 -1.26 -4.95 135.00 117.85 1g9l n PRO 36 Ca -0.41 -0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 60.01 1g9l n PRO 36 Cb 0.75 -0.73 -0.03 0.00 -0.02 0.00 0.00 33.50 33.47 1g9l n PRO 36 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1g9l s GLN 37 N -3.91 4.50 -0.17 -0.52 0.74 -1.26 -5.02 119.66 114.02 1g9l s GLN 37 Ca 0.28 1.32 -0.24 0.00 0.05 0.00 0.00 55.36 56.77 1g9l s GLN 37 Cb -0.04 -3.48 -0.02 0.00 1.10 0.00 0.00 33.01 30.56 1g9l s GLN 37 CO 0.23 -0.11 0.75 0.54 -0.55 0.00 0.00 175.29 176.14 1g9l s VAL 38 N 1.28 4.95 -1.87 1.34 0.11 -1.26 -4.92 120.40 120.03 1g9l s VAL 38 Ca 0.48 1.46 0.16 0.00 -2.93 0.00 0.00 61.98 61.15 1g9l s VAL 38 Cb -0.20 -4.06 0.10 0.00 -1.53 0.00 0.00 36.38 30.69 1g9l s VAL 38 CO 0.23 0.08 0.97 1.07 -3.33 0.00 0.00 175.10 174.12 1g9l n THR 39 N 4.62 0.00 -2.46 5.04 5.66 -1.26 -5.00 114.28 120.88 1g9l n THR 39 Ca 0.02 -0.47 -0.25 0.00 -3.05 0.00 0.00 64.05 60.30 1g9l n THR 39 Cb 0.49 1.30 0.12 0.00 -1.55 0.00 0.00 70.33 70.69 1g9l n THR 39 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 1g9l s MET 40 N -1.43 1.51 -1.94 1.09 -1.94 -1.26 -4.32 119.30 111.01 1g9l s MET 40 Ca 0.17 -0.96 0.00 0.00 -1.71 0.00 0.00 55.69 53.19 1g9l s MET 40 Cb 0.13 -2.24 0.00 0.00 2.01 0.00 0.00 34.83 34.73 1g9l s MET 40 CO 0.24 -1.61 0.00 1.04 -0.01 0.00 0.00 175.02 174.68 1g9l n GLN 41 N -3.00 -1.30 -3.23 2.03 1.13 -1.26 -4.92 117.38 106.84 1g9l n GLN 41 Ca 0.15 1.13 -0.02 0.00 -1.94 0.00 0.00 57.00 56.32 1g9l n GLN 41 Cb 0.60 -5.43 -0.02 0.00 0.11 0.00 0.00 30.24 25.50 1g9l n GLN 41 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 1g9l s GLN 42 N -3.66 0.61 1.23 -1.09 -2.07 -1.26 -5.16 119.66 108.25 1g9l s GLN 42 Ca 0.00 0.08 -0.16 0.00 -1.82 0.00 0.00 55.36 53.46 1g9l s GLN 42 Cb 0.00 -0.02 0.28 0.00 -1.09 0.00 0.00 33.01 32.18 1g9l s GLN 42 CO 0.00 -1.10 0.79 -2.30 -1.32 0.00 0.00 175.29 171.36 1g9l n PRO 43 N 5.00 -2.83 -1.51 9.60 -0.02 -1.26 -4.85 135.00 139.14 1g9l n PRO 43 Ca 0.06 -0.81 -0.34 0.00 -2.02 0.00 0.00 63.50 60.40 1g9l n PRO 43 Cb 0.53 -2.02 -0.05 0.00 -0.02 0.00 0.00 33.50 31.94 1g9l n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g9l n ALA 44 N -5.06 7.00 -3.48 3.55 0.00 -1.26 -4.84 120.51 116.42 1g9l n ALA 44 Ca 0.03 -3.38 -0.43 0.00 0.00 0.00 0.00 53.44 49.66 1g9l n ALA 44 Cb 0.56 -2.86 -0.06 0.00 0.00 0.00 0.00 19.45 17.09 1g9l n ALA 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1g9l s VAL 45 N 0.33 4.77 0.90 0.00 -7.23 -1.26 -5.07 120.40 112.85 1g9l s VAL 45 Ca 0.63 -2.38 -0.11 0.00 -1.81 0.00 0.00 61.98 58.31 1g9l s VAL 45 Cb 0.23 -4.03 0.19 0.00 0.56 0.00 0.00 36.38 33.34 1g9l s VAL 45 CO -0.08 -0.92 1.24 -1.00 -0.31 0.00 0.00 175.10 174.02 1g9l s HIS 46 N 0.48 1.33 -0.60 2.82 3.76 -1.26 -5.02 115.29 116.80 1g9l s HIS 46 Ca 0.14 0.03 -0.18 0.00 -0.15 0.00 0.00 55.06 54.90 1g9l s HIS 46 Cb -0.18 -3.80 0.12 0.00 1.11 0.00 0.00 32.58 29.83 1g9l s HIS 46 CO -0.05 -2.47 0.66 0.54 -0.85 0.00 0.00 174.74 172.57 1g9l s VAL 47 N -3.68 5.00 -0.18 -0.90 0.11 -1.26 -4.84 120.40 114.64 1g9l s VAL 47 Ca 0.73 -1.29 0.14 0.00 -2.93 0.00 0.00 61.98 58.64 1g9l s VAL 47 Cb -0.03 -4.45 -0.24 0.00 -1.53 0.00 0.00 36.38 30.13 1g9l s VAL 47 CO 0.51 -1.05 0.12 1.67 -3.33 0.00 0.00 175.10 173.01 1g9l n GLN 48 N 5.82 0.68 -0.05 1.54 7.27 -1.26 -4.99 117.38 126.40 1g9l n GLN 48 Ca -0.08 0.06 0.00 0.00 0.07 0.00 0.00 57.00 57.05 1g9l n GLN 48 Cb 0.42 -1.56 0.00 0.00 2.41 0.00 0.00 30.24 31.51 1g9l n GLN 48 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1g9l n GLY 49 N 1.81 -0.68 3.43 1.69 0.00 -1.26 -5.10 105.19 105.07 1g9l n GLY 49 Ca -0.33 -1.69 -0.17 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.51 0.57 -1.90 1.61 6.02 -1.26 -5.05 117.38 116.86 1g9l n GLN 50 Ca 0.00 -2.70 -0.42 0.00 -0.01 0.00 0.00 57.00 53.87 1g9l n GLN 50 Cb 0.00 -0.26 -0.03 0.00 1.02 0.00 0.00 30.24 30.97 1g9l n GLN 50 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1g9l s GLU 51 N -4.37 4.20 1.07 -1.09 4.04 -1.26 -5.00 118.70 116.28 1g9l s GLU 51 Ca 0.54 2.39 -0.18 0.00 0.04 0.00 0.00 54.97 57.77 1g9l s GLU 51 Cb -0.04 -3.21 0.24 0.00 0.02 0.00 0.00 34.13 31.14 1g9l s GLU 51 CO 0.35 -0.65 1.26 -1.25 -1.84 0.00 0.00 175.26 173.13 1g9l s PRO 52 N 1.37 -0.20 -0.01 -4.83 0.04 -1.26 -5.05 135.00 125.06 1g9l s PRO 52 Ca 0.71 -0.37 -0.16 0.00 0.04 0.00 0.00 61.00 61.23 1g9l s PRO 52 Cb -0.44 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 1g9l s PRO 52 CO 0.32 -2.98 0.43 -1.17 0.04 0.00 0.00 177.00 173.63 1g9l s LEU 53 N -6.31 4.45 0.00 -3.56 1.98 -1.26 -4.80 118.68 109.19 1g9l s LEU 53 Ca 0.74 0.97 0.00 0.00 -2.89 0.00 0.00 54.13 52.95 1g9l s LEU 53 Cb -0.05 -2.62 0.00 0.00 0.66 0.00 0.00 46.19 44.18 1g9l s LEU 53 CO 0.54 0.28 0.00 0.41 -1.89 0.00 0.00 176.35 175.69 1g9l n THR 54 N 2.06 0.00 -0.23 3.68 -1.04 -1.26 -4.93 114.28 112.57 1g9l n THR 54 Ca -0.13 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.85 1g9l n THR 54 Cb 0.52 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 69.10 1g9l n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1g9l h ALA 55 N 2.00 0.86 -0.56 2.41 0.00 -1.65 -1.31 119.26 121.01 1g9l h ALA 55 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1g9l h ALA 55 Cb 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1g9l h ALA 55 CO 0.00 0.14 0.28 0.77 0.00 0.00 0.00 179.25 180.44 1g9l h SER 56 N 0.78 0.38 -0.88 0.00 0.02 -1.87 0.04 113.55 112.02 1g9l h SER 56 Ca 0.27 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 1g9l h SER 56 Cb 0.05 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1g9l h SER 56 CO -0.12 0.26 0.49 0.24 -1.14 0.00 0.00 176.83 176.56 1g9l h MET 57 N 0.52 1.22 -0.44 3.45 2.07 -1.72 -2.11 114.93 117.92 1g9l h MET 57 Ca 0.25 -0.14 -0.00 0.00 -2.07 0.00 0.00 59.70 57.74 1g9l h MET 57 Cb 0.19 -0.24 -0.02 0.00 -1.87 0.00 0.00 31.60 29.65 1g9l h MET 57 CO -0.19 0.88 0.26 -0.07 1.07 0.00 0.00 176.91 178.87 1g9l h LEU 58 N 1.23 0.53 0.00 1.22 4.07 -0.18 -1.16 115.31 121.01 1g9l h LEU 58 Ca 0.31 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1g9l h LEU 58 Cb 0.01 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.62 1g9l h LEU 58 CO -0.05 0.43 0.00 0.00 -1.08 0.00 0.00 178.44 177.74 1g9l n ALA 59 N -2.25 1.66 1.11 1.53 0.00 -0.10 -1.88 120.51 120.59 1g9l n ALA 59 Ca 0.01 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.54 1g9l n ALA 59 Cb 0.06 -1.22 0.57 0.00 0.00 0.00 0.00 19.45 18.86 1g9l n ALA 59 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1g9l n SER 60 N -1.45 0.15 -2.99 0.00 2.88 -0.44 -4.02 113.62 107.74 1g9l n SER 60 Ca 0.04 0.14 -0.19 0.00 -1.33 0.00 0.00 58.87 57.52 1g9l n SER 60 Cb 0.15 -0.28 -0.02 0.00 -0.75 0.00 0.00 64.21 63.31 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 -1.40 3.10 -0.01 -1.46 0.00 -0.79 -4.97 120.51 114.97 1g9l n ALA 61 Ca 0.09 -3.74 -0.09 0.00 0.00 0.00 0.00 53.44 49.70 1g9l n ALA 61 Cb 0.32 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 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 2.96 -0.15 -0.63 0.00 0.11 -1.71 0.11 132.00 132.70 1g9l h PRO 62 Ca 0.09 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1g9l h PRO 62 Cb 0.89 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1g9l h PRO 62 CO 0.60 -0.10 0.00 -0.35 -0.21 0.00 0.00 178.00 177.94 1g9l n PRO 63 N -5.29 3.15 0.00 1.05 -0.04 -1.26 -4.39 135.00 128.23 1g9l n PRO 63 Ca -0.02 -2.13 0.00 0.00 -0.04 0.00 0.00 63.50 61.30 1g9l n PRO 63 Cb 0.20 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 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 0.72 0.00 -1.98 0.54 6.02 -0.85 -4.98 117.38 116.86 1g9l n GLN 64 Ca 0.19 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.84 1g9l n GLN 64 Cb 0.73 0.00 0.03 0.00 1.02 0.00 0.00 30.24 32.02 1g9l n GLN 64 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1g9l n GLU 65 N 0.00 3.00 0.24 -1.09 -0.58 -1.04 -4.67 120.64 116.50 1g9l n GLU 65 Ca 0.00 -3.80 0.11 0.00 -0.42 0.00 0.00 57.16 53.05 1g9l n GLU 65 Cb 0.00 -2.27 0.57 0.00 -0.57 0.00 0.00 31.44 29.17 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 2.65 0.00 -0.35 3.49 4.15 -1.00 -2.95 115.11 121.10 1g9l h GLN 66 Ca 0.49 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.64 1g9l h GLN 66 Cb 0.53 0.00 -0.26 0.00 0.21 0.00 0.00 27.48 27.95 1g9l h GLN 66 CO 1.25 0.20 -0.77 1.63 -1.93 0.00 0.00 178.83 179.21 1g9l n LYS 67 N -3.54 2.22 0.08 1.69 4.76 -1.26 -4.83 118.16 117.28 1g9l n LYS 67 Ca -0.01 -3.52 0.00 0.00 -2.87 0.00 0.00 58.31 51.91 1g9l n LYS 67 Cb 0.34 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 1g9l n LYS 67 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1g9l n GLN 68 N -0.71 0.00 0.00 1.97 7.27 -1.12 -4.81 117.38 119.98 1g9l n GLN 68 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.33 1g9l n GLN 68 Cb 0.87 -0.19 0.00 0.00 2.41 0.00 0.00 30.24 33.32 1g9l n GLN 68 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1g9l n MET 69 N -3.30 0.00 0.18 3.69 2.81 -1.19 -0.11 117.12 119.20 1g9l n MET 69 Ca 0.00 0.44 0.03 0.00 -1.81 0.00 0.00 57.70 56.36 1g9l n MET 69 Cb 0.00 -1.53 0.33 0.00 -0.71 0.00 0.00 33.22 31.31 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 0.00 -0.67 4.03 -0.00 -1.87 -2.77 115.31 114.03 1g9l h LEU 70 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1g9l h LEU 70 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.72 1g9l h LEU 70 CO 0.00 0.42 0.00 0.61 -0.00 0.00 0.00 178.44 179.47 1g9l n GLY 71 N -0.06 -1.68 0.00 0.17 0.00 -0.57 -4.72 105.19 98.34 1g9l n GLY 71 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 4.59 0.00 1.61 -0.58 0.85 -3.64 120.64 123.47 1g9l n GLU 72 Ca 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1g9l n GLU 72 Cb 0.50 -0.36 0.00 0.00 -0.57 0.00 0.00 31.44 31.01 1g9l n GLU 72 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1g9l n ARG 73 N -0.66 3.85 0.17 3.49 0.00 -1.22 -4.70 116.66 117.59 1g9l n ARG 73 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 57.98 1g9l n ARG 73 Cb 0.00 -0.46 0.37 0.00 0.00 0.00 0.00 32.46 32.38 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 0.00 -0.48 6.15 3.38 -1.77 -3.35 115.31 119.24 1g9l h LEU 74 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1g9l h LEU 74 Cb 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.65 1g9l h LEU 74 CO 0.00 0.00 -0.34 0.15 0.09 0.00 0.00 178.44 178.34 1g9l h PHE 75 N 0.00 -0.95 0.00 1.13 3.57 -1.87 0.45 116.94 119.27 1g9l h PHE 75 Ca 0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1g9l h PHE 75 Cb 0.75 0.49 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1g9l h PHE 75 CO 0.00 -0.39 0.00 -2.30 -2.23 0.00 0.00 178.31 173.39 1g9l n PRO 76 N -5.42 0.02 -0.08 6.41 -0.02 -1.26 -2.54 135.00 132.11 1g9l n PRO 76 Ca 0.02 0.34 -0.18 0.00 -2.02 0.00 0.00 63.50 61.66 1g9l n PRO 76 Cb 0.35 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.20 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 -1.46 2.61 -0.31 2.45 7.99 0.13 -4.39 117.00 124.03 1g9l n LEU 77 Ca 0.02 0.01 -0.04 0.00 -0.01 0.00 0.00 56.01 55.99 1g9l n LEU 77 Cb 0.09 -0.86 0.08 0.00 -0.11 0.00 0.00 43.42 42.61 1g9l n LEU 77 CO 0.07 0.87 1.21 0.40 -1.51 0.00 0.00 177.39 178.42 1g9l h ILE 78 N 0.03 1.22 -0.03 -0.08 1.08 -0.59 -1.26 117.51 117.88 1g9l h ILE 78 Ca -0.51 -0.43 0.01 0.00 -0.39 0.00 0.00 64.86 63.53 1g9l h ILE 78 Cb 1.97 0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 35.74 1g9l h ILE 78 CO -0.01 0.22 0.58 1.56 -0.69 0.00 0.00 178.15 179.80 1g9l h GLN 79 N 1.13 0.00 0.14 2.37 4.20 -1.72 0.66 115.11 121.89 1g9l h GLN 79 Ca 0.30 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.77 1g9l h GLN 79 Cb -0.10 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.69 1g9l h GLN 79 CO -0.06 0.00 -1.16 0.00 -0.67 0.00 0.00 178.83 176.94 1g9l h ALA 80 N 0.87 0.02 -0.47 3.87 0.00 -1.46 -3.18 119.26 118.90 1g9l h ALA 80 Ca 0.02 -0.89 -0.12 0.00 0.00 0.00 0.00 54.91 53.92 1g9l h ALA 80 Cb 1.18 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1g9l h ALA 80 CO -0.00 0.61 -0.16 0.52 0.00 0.00 0.00 179.25 180.23 1g9l h MET 81 N -0.29 0.94 -6.27 0.00 2.86 0.19 -3.44 114.93 108.92 1g9l h MET 81 Ca -0.23 -0.38 -0.62 0.00 -2.06 0.00 0.00 59.70 56.42 1g9l h MET 81 Cb 1.75 -0.04 -0.26 0.00 0.06 0.00 0.00 31.60 33.11 1g9l h MET 81 CO 0.12 1.04 -0.85 -1.01 1.06 0.00 0.00 176.91 177.27 1g9l s HIS 82 N -4.74 1.97 -0.85 -0.22 3.76 0.38 -5.04 115.29 110.54 1g9l s HIS 82 Ca -0.12 -0.38 -0.21 0.00 -0.15 0.00 0.00 55.06 54.19 1g9l s HIS 82 Cb 0.12 -1.19 -0.19 0.00 1.11 0.00 0.00 32.58 32.43 1g9l s HIS 82 CO 0.85 0.08 1.96 -2.30 -0.85 0.00 0.00 174.74 174.49 1g9l n PRO 83 N 1.92 0.13 -2.55 8.40 -0.02 -1.26 -3.35 135.00 138.26 1g9l n PRO 83 Ca -0.17 -1.24 -0.03 0.00 -2.02 0.00 0.00 63.50 60.04 1g9l n PRO 83 Cb 0.53 -3.30 -0.00 0.00 -0.02 0.00 0.00 33.50 30.71 1g9l n PRO 83 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1g9l n THR 84 N 8.15 -0.08 1.97 3.45 5.66 -1.20 -4.73 114.28 127.50 1g9l n THR 84 Ca 0.35 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.51 1g9l n THR 84 Cb 0.46 -0.23 0.89 0.00 -1.55 0.00 0.00 70.33 69.90 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 -2.58 0.09 0.00 1.09 4.32 -1.21 -4.75 117.00 113.95 1g9l n LEU 85 Ca -0.01 -0.03 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 1g9l n LEU 85 Cb 0.51 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1g9l n LEU 85 CO 0.05 0.01 0.00 0.00 -1.22 0.00 0.00 177.39 176.23 1g9l n ALA 86 N -0.91 0.00 -0.14 -1.18 0.00 -1.26 -4.57 120.51 112.44 1g9l n ALA 86 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1g9l n ALA 86 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 1.67 2.70 0.00 0.00 0.00 -1.26 -4.29 105.19 104.00 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 -4.93 118.16 114.58 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 -0.26 0.00 -0.30 3.15 5.41 -1.26 0.86 119.36 126.95 1g9l n ILE 89 Ca 0.00 1.00 0.06 0.00 1.00 0.00 0.00 62.75 64.80 1g9l n ILE 89 Cb 0.00 -1.73 0.26 0.00 -0.71 0.00 0.00 39.64 37.47 1g9l n ILE 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1g9l h THR 90 N 0.00 1.02 -0.28 1.39 1.03 -1.90 0.34 112.91 114.50 1g9l h THR 90 Ca 0.00 -0.33 0.08 0.00 -0.01 0.00 0.00 66.41 66.15 1g9l h THR 90 Cb 0.00 -0.04 -0.01 0.00 -1.07 0.00 0.00 68.15 67.03 1g9l h THR 90 CO 0.00 0.18 0.22 1.23 -0.01 0.00 0.00 175.52 177.14 1g9l h GLY 91 N 0.97 0.00 1.66 2.99 0.00 -1.59 0.28 103.07 107.39 1g9l h GLY 91 Ca 0.41 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.51 1g9l h GLY 91 CO -0.17 0.00 -1.02 1.98 0.00 0.00 0.00 176.54 177.34 1g9l h MET 92 N 0.00 0.28 0.00 4.80 -1.53 0.45 -3.19 114.93 115.74 1g9l h MET 92 Ca 0.13 -0.36 0.00 0.00 -3.44 0.00 0.00 59.70 56.03 1g9l h MET 92 Cb 0.57 0.12 0.00 0.00 -0.55 0.00 0.00 31.60 31.74 1g9l h MET 92 CO -0.00 1.09 0.02 1.28 0.14 0.00 0.00 176.91 179.44 1g9l n LEU 93 N -3.64 0.00 -1.50 3.39 7.99 0.97 0.88 117.00 125.09 1g9l n LEU 93 Ca -0.06 0.37 -0.08 0.00 -0.01 0.00 0.00 56.01 56.24 1g9l n LEU 93 Cb 0.89 -0.37 0.22 0.00 -0.11 0.00 0.00 43.42 44.04 1g9l n LEU 93 CO 0.51 -0.37 0.89 0.18 -1.51 0.00 0.00 177.39 177.08 1g9l n LEU 94 N -1.37 5.01 0.00 2.23 4.32 -1.17 -4.22 117.00 121.80 1g9l n LEU 94 Ca 0.00 -3.57 0.00 0.00 -0.02 0.00 0.00 56.01 52.42 1g9l n LEU 94 Cb 0.02 -0.69 0.00 0.00 -1.62 0.00 0.00 43.42 41.13 1g9l n LEU 94 CO 0.00 1.08 0.00 -1.84 -1.22 0.00 0.00 177.39 175.41 1g9l n GLU 95 N -0.93 0.00 0.00 3.23 0.28 0.25 -5.11 120.64 118.37 1g9l n GLU 95 Ca 0.39 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.39 1g9l n GLU 95 Cb 1.23 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.10 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 0.22 -4.65 119.36 118.77 1g9l n ILE 96 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1g9l n ILE 96 Cb 0.14 -0.08 0.00 0.00 -0.00 0.00 0.00 39.64 39.70 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 0.10 1.67 3.02 -1.26 -4.65 115.26 113.03 1g9l n ASN 98 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.51 1g9l n ASN 98 Cb 0.00 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.28 1g9l n ASN 98 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1g9l h SER 99 N 0.00 0.18 1.37 6.41 0.02 -1.99 -2.46 113.55 117.08 1g9l h SER 99 Ca 0.00 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 1g9l h SER 99 Cb 0.00 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1g9l h SER 99 CO 0.00 0.79 -0.27 -0.33 -1.14 0.00 0.00 176.83 175.88 1g9l h GLU 100 N 0.11 0.00 0.00 3.45 5.08 -1.93 -0.75 114.58 120.53 1g9l h GLU 100 Ca -0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1g9l h GLU 100 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1g9l h GLU 100 CO 0.10 0.27 -0.29 1.25 -1.00 0.00 0.00 179.01 179.34 1g9l h LEU 101 N 0.00 0.00 0.05 1.33 5.85 -1.64 -2.32 115.31 118.57 1g9l h LEU 101 Ca -0.00 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.41 1g9l h LEU 101 Cb 1.03 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1g9l h LEU 101 CO 0.04 0.29 -1.69 0.18 -0.34 0.00 0.00 178.44 176.91 1g9l n LEU 102 N -3.30 2.22 -0.22 2.25 4.32 -0.96 -3.96 117.00 117.35 1g9l n LEU 102 Ca 0.01 0.31 -0.08 0.00 -0.02 0.00 0.00 56.01 56.24 1g9l n LEU 102 Cb 0.54 -1.02 0.05 0.00 -1.62 0.00 0.00 43.42 41.38 1g9l n LEU 102 CO 0.36 0.55 0.89 -0.74 -1.22 0.00 0.00 177.39 177.23 1g9l h HIS 103 N -0.54 1.15 -0.32 -1.77 2.76 -1.23 -2.50 115.15 112.70 1g9l h HIS 103 Ca -0.41 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 57.60 1g9l h HIS 103 Cb 1.64 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 30.27 1g9l h HIS 103 CO 0.07 0.98 0.21 0.00 -1.30 0.00 0.00 177.93 177.89 1g9l h MET 104 N 1.00 0.42 0.00 5.26 -0.00 -1.61 0.62 114.93 120.62 1g9l h MET 104 Ca 0.19 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.87 1g9l h MET 104 Cb 0.46 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 31.97 1g9l h MET 104 CO 0.02 0.28 -0.33 1.28 -0.00 0.00 0.00 176.91 178.15 1g9l n LEU 105 N -4.49 0.50 -0.09 -0.10 4.77 -1.06 -3.04 117.00 113.49 1g9l n LEU 105 Ca 0.02 0.29 0.07 0.00 -0.03 0.00 0.00 56.01 56.36 1g9l n LEU 105 Cb 0.07 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 1g9l n LEU 105 CO 0.35 -0.01 0.04 -1.84 -1.33 0.00 0.00 177.39 174.60 1g9l n GLU 106 N -1.82 1.95 -3.77 3.23 -0.00 -0.24 -4.76 120.64 115.22 1g9l n GLU 106 Ca 0.05 -0.21 -0.13 0.00 -0.00 0.00 0.00 57.16 56.87 1g9l n GLU 106 Cb 0.39 -1.22 -0.14 0.00 -0.00 0.00 0.00 31.44 30.46 1g9l n GLU 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1g9l s SER 107 N -2.28 -0.09 0.00 -1.84 0.15 0.04 -5.01 113.70 104.68 1g9l s SER 107 Ca 0.08 0.24 0.13 0.00 0.70 0.00 0.00 55.95 57.10 1g9l s SER 107 Cb 0.12 0.16 0.79 0.00 -1.71 0.00 0.00 66.02 65.38 1g9l s SER 107 CO 0.56 -0.12 1.22 -2.65 1.20 0.00 0.00 173.24 173.45 1g9l n PRO 108 N 3.91 0.49 0.00 5.44 -0.02 -1.26 -2.23 135.00 141.33 1g9l n PRO 108 Ca -0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 1g9l n PRO 108 Cb 0.53 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 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 -0.92 2.61 -0.12 -0.52 2.13 -1.26 -4.69 120.64 117.87 1g9l n GLU 109 Ca 0.10 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.82 1g9l n GLU 109 Cb 0.05 -0.99 -0.02 0.00 0.27 0.00 0.00 31.44 30.75 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 0.52 -0.18 4.31 0.02 -1.69 0.16 113.55 116.70 1g9l h SER 110 Ca 0.00 -0.20 0.05 0.00 -0.84 0.00 0.00 61.79 60.80 1g9l h SER 110 Cb 0.64 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1g9l h SER 110 CO 0.00 0.59 0.18 0.25 -1.14 0.00 0.00 176.83 176.70 1g9l h LEU 111 N 0.44 0.00 0.05 5.07 6.46 -1.65 0.62 115.31 126.30 1g9l h LEU 111 Ca 0.12 0.00 -0.25 0.00 -0.12 0.00 0.00 57.88 57.63 1g9l h LEU 111 Cb 0.25 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 1g9l h LEU 111 CO -0.00 0.00 -1.35 -0.09 -0.62 0.00 0.00 178.44 176.38 1g9l h ARG 112 N 0.00 0.11 -0.15 1.25 2.43 -1.64 -2.74 114.38 113.64 1g9l h ARG 112 Ca 0.08 -0.19 -0.12 0.00 -0.81 0.00 0.00 59.98 58.95 1g9l h ARG 112 Cb 0.44 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1g9l h ARG 112 CO -0.00 1.09 -0.42 1.03 -1.51 0.00 0.00 179.97 180.16 1g9l h SER 113 N -0.63 0.36 1.15 -3.80 0.87 -0.25 0.02 113.55 111.26 1g9l h SER 113 Ca -0.33 -0.16 -0.15 0.00 -1.23 0.00 0.00 61.79 59.92 1g9l h SER 113 Cb 1.53 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.37 1g9l h SER 113 CO -0.07 0.74 -0.74 0.11 -0.53 0.00 0.00 176.83 176.34 1g9l h LYS 114 N 0.28 0.00 0.23 2.24 1.79 0.07 -2.13 116.57 119.05 1g9l h LYS 114 Ca 0.02 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1g9l h LYS 114 Cb 0.86 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1g9l h LYS 114 CO 0.07 0.74 -0.11 0.28 -1.08 0.00 0.00 179.45 179.35 1g9l h VAL 115 N 0.00 0.62 -0.98 0.50 2.07 -1.19 0.77 116.25 118.03 1g9l h VAL 115 Ca -0.01 -0.96 0.16 0.00 0.82 0.00 0.00 66.70 66.71 1g9l h VAL 115 Cb 1.51 1.02 -0.09 0.00 -1.52 0.00 0.00 31.29 32.21 1g9l h VAL 115 CO 0.10 0.16 0.61 -0.78 0.02 0.00 0.00 177.57 177.67 1g9l h ASP 116 N -0.93 0.78 -0.33 0.57 1.82 -1.09 0.16 116.42 117.40 1g9l h ASP 116 Ca -0.03 0.07 -0.17 0.00 -0.39 0.00 0.00 57.03 56.51 1g9l h ASP 116 Cb 0.49 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.41 1g9l h ASP 116 CO 0.05 0.35 -0.43 -0.33 -1.61 0.00 0.00 179.24 177.27 1g9l h GLU 117 N 0.80 0.90 0.00 0.28 3.07 -1.40 -2.49 114.58 115.74 1g9l h GLU 117 Ca 0.52 -0.50 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1g9l h GLU 117 Cb 0.76 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1g9l h GLU 117 CO -0.29 1.15 -0.05 0.00 -1.40 0.00 0.00 179.01 178.42 1g9l h ALA 118 N 0.77 1.12 -0.35 3.43 0.00 0.17 -1.86 119.26 122.54 1g9l h ALA 118 Ca 0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1g9l h ALA 118 Cb 1.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1g9l h ALA 118 CO 0.10 0.06 0.05 0.28 0.00 0.00 0.00 179.25 179.75 1g9l h VAL 119 N 0.00 1.24 0.00 0.00 2.07 -0.36 0.77 116.25 119.97 1g9l h VAL 119 Ca -0.00 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 1g9l h VAL 119 Cb 0.28 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1g9l h VAL 119 CO 0.01 0.29 -0.00 0.00 0.02 0.00 0.00 177.57 177.88 1g9l h ALA 120 N 0.90 1.59 0.02 1.67 0.00 -1.26 0.15 119.26 122.33 1g9l h ALA 120 Ca 0.11 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.73 1g9l h ALA 120 Cb 0.37 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1g9l h ALA 120 CO 0.01 0.01 -1.53 0.28 0.00 0.00 0.00 179.25 178.01 1g9l h VAL 121 N 0.00 1.09 -0.24 0.00 2.07 -1.04 -2.99 116.25 115.14 1g9l h VAL 121 Ca -0.00 -2.87 -0.19 0.00 0.82 0.00 0.00 66.70 64.46 1g9l h VAL 121 Cb 0.01 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1g9l h VAL 121 CO 0.00 0.67 -0.59 0.17 0.02 0.00 0.00 177.57 177.84 1g9l h LEU 122 N 0.01 0.93 -1.02 2.57 8.10 0.19 -2.00 115.31 124.10 1g9l h LEU 122 Ca -0.22 -0.57 -0.10 0.00 0.11 0.00 0.00 57.88 57.10 1g9l h LEU 122 Cb 1.96 -0.27 -0.01 0.00 -0.44 0.00 0.00 40.66 41.89 1g9l h LEU 122 CO 0.10 1.33 -0.39 1.56 -4.11 0.00 0.00 178.44 176.93 1g9l h GLN 123 N 0.57 0.20 0.00 0.17 1.08 -0.89 0.33 115.11 116.57 1g9l h GLN 123 Ca -0.01 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1g9l h GLN 123 Cb 1.21 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1g9l h GLN 123 CO 0.13 0.56 0.00 0.00 -0.95 0.00 0.00 178.83 178.57 1g9l n ALA 124 N -2.47 2.24 0.12 3.87 0.00 -1.13 -3.12 120.51 120.02 1g9l n ALA 124 Ca -0.01 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.36 1g9l n ALA 124 Cb 0.46 -1.44 0.01 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.66 0.00 0.00 0.00 -0.00 -0.76 -4.23 115.22 108.57 1g9l n HIS 125 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 1g9l n HIS 125 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.33 1g9l n HIS 125 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1g9l n GLN 126 N 0.16 0.00 -0.74 1.57 6.02 0.11 -4.51 117.38 119.99 1g9l n GLN 126 Ca 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.02 1g9l n GLN 126 Cb 0.07 0.00 0.28 0.00 1.02 0.00 0.00 30.24 31.61 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 3.82 -1.42 -1.58 0.00 -1.26 -4.57 120.51 112.49 1g9l n ALA 127 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 53.44 51.83 1g9l n ALA 127 Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 0.25 2.73 0.00 0.00 5.02 -1.26 -4.95 118.16 119.95 1g9l n LYS 128 Ca 0.26 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.69 1g9l n LYS 128 Cb 1.06 0.00 0.66 0.00 -0.02 0.00 0.00 35.03 36.72 1g9l n LYS 128 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1g9l n GLU 129 N 0.00 1.33 -0.34 1.97 0.00 -1.26 -3.74 120.64 118.60 1g9l n GLU 129 Ca 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 57.16 56.60 1g9l n GLU 129 Cb 0.00 -1.49 0.15 0.00 0.00 0.00 0.00 31.44 30.10 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1g9l n ALA 130 N -0.32 3.06 -1.75 4.31 0.00 -1.26 -4.92 120.51 119.63 1g9l n ALA 130 Ca 0.20 -0.74 -0.42 0.00 0.00 0.00 0.00 53.44 52.48 1g9l n ALA 130 Cb 0.27 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 1g9l n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l s ALA 131 N -1.63 3.73 0.07 0.00 0.00 -1.25 -4.84 121.76 117.84 1g9l s ALA 131 Ca 0.20 1.39 -0.21 0.00 0.00 0.00 0.00 51.96 53.35 1g9l s ALA 131 Cb 0.16 -3.76 -0.07 0.00 0.00 0.00 0.00 23.12 19.45 1g9l s ALA 131 CO 0.06 -1.25 0.63 1.14 0.00 0.00 0.00 175.76 176.34 1g9l s GLN 132 N 2.92 4.31 0.06 0.00 -2.07 -1.26 -4.97 119.66 118.65 1g9l s GLN 132 Ca 0.81 0.84 0.15 0.00 -1.82 0.00 0.00 55.36 55.34 1g9l s GLN 132 Cb -0.45 -3.28 -0.14 0.00 -1.09 0.00 0.00 33.01 28.06 1g9l s GLN 132 CO 0.36 0.54 0.86 0.87 -1.32 0.00 0.00 175.29 176.61 1g9l h LYS 133 N 4.83 0.00 -6.30 9.60 6.56 -2.02 -3.45 116.57 125.80 1g9l h LYS 133 Ca -0.48 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 58.54 1g9l h LYS 133 Cb 1.21 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.84 1g9l h LYS 133 CO 0.66 0.37 1.24 0.00 -2.06 0.00 0.00 179.45 179.66 1g9l s ALA 134 N -2.86 2.85 -2.27 3.86 0.00 -1.26 -4.82 121.76 117.27 1g9l s ALA 134 Ca -0.02 0.10 0.19 0.00 0.00 0.00 0.00 51.96 52.22 1g9l s ALA 134 Cb 0.08 -4.02 0.13 0.00 0.00 0.00 0.00 23.12 19.31 1g9l s ALA 134 CO 0.81 -2.69 1.08 1.33 0.00 0.00 0.00 175.76 176.29 1g9l n VAL 135 N 7.33 0.00 0.62 0.00 0.24 -1.26 -4.24 118.33 121.01 1g9l n VAL 135 Ca 0.21 -0.47 0.12 0.00 -2.04 0.00 0.00 64.34 62.16 1g9l n VAL 135 Cb 0.47 1.37 0.14 0.00 -1.47 0.00 0.00 33.84 34.36 1g9l n VAL 135 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1g9l n ASN 136 N 0.88 0.65 -0.09 -1.34 3.02 -1.26 -3.67 115.26 113.46 1g9l n ASN 136 Ca 0.11 -0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.79 1g9l n ASN 136 Cb 0.46 0.33 0.59 0.00 -0.61 0.00 0.00 39.78 40.55 1g9l n ASN 136 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1g9l n SER 137 N -2.00 0.40 -2.95 6.41 3.41 -1.26 -4.87 113.62 112.75 1g9l n SER 137 Ca 0.03 -0.41 -0.14 0.00 -0.26 0.00 0.00 58.87 58.10 1g9l n SER 137 Cb 0.43 -0.10 0.10 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.08 -0.66 -2.59 7.33 0.00 -1.24 -5.07 120.51 117.20 1g9l n ALA 138 Ca 0.13 -0.85 -0.28 0.00 0.00 0.00 0.00 53.44 52.44 1g9l n ALA 138 Cb 0.29 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 1g9l n ALA 138 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1g9l s THR 139 N -2.31 5.07 0.00 0.00 -4.23 -1.26 -5.07 115.64 107.84 1g9l s THR 139 Ca 0.36 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.81 1g9l s THR 139 Cb -0.01 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.10 1g9l s THR 139 CO 0.25 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1g9l n GLY 140 N -0.86 -0.32 3.43 3.99 0.00 -1.26 -4.95 105.19 105.23 1g9l n GLY 140 Ca -0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 1g9l n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g9l s VAL 141 N 0.00 5.09 0.05 1.61 1.01 -1.26 -5.04 120.40 121.87 1g9l s VAL 141 Ca 0.00 -0.69 -0.34 0.00 0.00 0.00 0.00 61.98 60.95 1g9l s VAL 141 Cb 0.00 -4.14 -0.13 0.00 0.00 0.00 0.00 36.38 32.11 1g9l s VAL 141 CO 0.00 -0.59 1.72 -2.65 0.00 0.00 0.00 175.10 173.58 1g9l n PRO 142 N 5.59 2.19 -2.12 2.72 -0.02 -1.26 -4.98 135.00 137.12 1g9l n PRO 142 Ca -0.09 0.80 -0.27 0.00 -2.02 0.00 0.00 63.50 61.91 1g9l n PRO 142 Cb 0.45 -2.61 0.10 0.00 -0.02 0.00 0.00 33.50 31.43 1g9l n PRO 142 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1g9l s THR 143 N 2.36 2.14 0.00 3.45 -4.23 -1.26 -5.29 115.64 112.81 1g9l s THR 143 Ca 0.85 -0.19 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 1g9l s THR 143 Cb -0.67 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.22 1g9l s THR 143 CO 0.44 0.00 0.00 0.55 -0.54 0.00 0.00 174.62 175.07