#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g9l s PRO 2 N 0.00 1.05 -0.43 1.61 0.02 -1.26 -4.96 135.00 131.03 1g9l s PRO 2 Ca 0.00 1.57 -0.21 0.00 0.02 0.00 0.00 61.00 62.38 1g9l s PRO 2 Cb 0.00 -1.73 0.02 0.00 0.02 0.00 0.00 34.50 32.81 1g9l s PRO 2 CO 0.00 -2.62 0.65 -0.51 -0.33 0.00 0.00 177.00 174.19 1g9l s LEU 3 N -6.55 4.45 0.00 -5.54 1.43 -1.26 -5.05 118.68 106.16 1g9l s LEU 3 Ca 0.67 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 1g9l s LEU 3 Cb -0.23 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.24 1g9l s LEU 3 CO 0.57 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 177.00 1g9l n GLY 4 N 4.98 -0.68 1.43 -3.19 0.00 -1.26 -4.94 105.19 101.54 1g9l n GLY 4 Ca -0.01 -1.66 0.02 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.60 3.90 -0.01 1.61 3.41 -1.26 -5.03 113.62 115.65 1g9l n SER 5 Ca 0.00 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 55.97 1g9l n SER 5 Cb 0.00 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 1g9l n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g9l n ALA 6 N 0.26 0.00 -1.54 7.33 0.00 -1.26 -4.79 120.51 120.51 1g9l n ALA 6 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1g9l n ALA 6 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.35 1g9l n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 7 N 1.84 0.00 0.17 0.00 0.00 -1.26 -5.01 120.51 116.25 1g9l n ALA 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1g9l n ALA 7 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 1.99 -1.12 0.00 0.00 -1.26 -5.16 120.51 114.95 1g9l n ALA 8 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1g9l n ALA 8 Cb 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.63 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 -3.43 -1.02 -2.59 0.00 0.00 -1.26 -4.74 120.51 107.47 1g9l n ALA 9 Ca 0.00 0.12 -0.38 0.00 0.00 0.00 0.00 53.44 53.18 1g9l n ALA 9 Cb 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 19.45 19.04 1g9l n ALA 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1g9l s THR 10 N -0.60 5.09 -0.51 0.00 2.01 -1.26 -5.00 115.64 115.37 1g9l s THR 10 Ca 0.00 0.90 -0.26 0.00 0.31 0.00 0.00 61.69 62.63 1g9l s THR 10 Cb 0.00 -3.76 -0.08 0.00 0.01 0.00 0.00 72.50 68.67 1g9l s THR 10 CO 0.00 0.46 2.43 -2.65 -0.69 0.00 0.00 174.62 174.17 1g9l n PRO 11 N 2.72 1.00 -0.05 4.92 -0.02 -1.26 -4.78 135.00 137.53 1g9l n PRO 11 Ca -0.11 -0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.43 1g9l n PRO 11 Cb 0.52 -3.36 0.23 0.00 -0.02 0.00 0.00 33.50 30.87 1g9l n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g9l n ALA 12 N 15.66 2.52 -2.36 3.55 0.00 -1.26 -4.84 120.51 133.77 1g9l n ALA 12 Ca 0.38 -0.25 -0.38 0.00 0.00 0.00 0.00 53.44 53.19 1g9l n ALA 12 Cb 0.52 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 1g9l n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1g9l s VAL 13 N -1.86 4.85 -0.63 0.00 0.11 -1.26 -5.03 120.40 116.59 1g9l s VAL 13 Ca 0.17 1.08 -0.28 0.00 -2.93 0.00 0.00 61.98 60.02 1g9l s VAL 13 Cb 0.09 -3.83 0.03 0.00 -1.53 0.00 0.00 36.38 31.14 1g9l s VAL 13 CO 0.13 0.56 1.21 0.00 -3.33 0.00 0.00 175.10 173.67 1g9l s ARG 14 N -1.08 3.40 -0.60 1.54 3.03 -1.26 -4.97 118.95 119.01 1g9l s ARG 14 Ca 0.27 0.07 -0.11 0.00 2.03 0.00 0.00 55.73 57.99 1g9l s ARG 14 Cb -0.18 -4.07 0.15 0.00 -1.03 0.00 0.00 34.95 29.82 1g9l s ARG 14 CO 0.17 -1.82 0.50 0.95 -1.13 0.00 0.00 175.30 173.97 1g9l s THR 15 N 5.15 4.70 -0.30 4.99 -4.23 -1.26 -5.03 115.64 119.66 1g9l s THR 15 Ca 0.40 -2.09 -0.01 0.00 -1.18 0.00 0.00 61.69 58.80 1g9l s THR 15 Cb -0.08 -4.02 0.05 0.00 1.34 0.00 0.00 72.50 69.80 1g9l s THR 15 CO 0.22 -0.88 -0.01 0.54 -0.54 0.00 0.00 174.62 173.95 1g9l s VAL 16 N 0.87 2.88 -0.47 2.29 0.11 -1.26 -5.06 120.40 119.77 1g9l s VAL 16 Ca 0.10 -1.44 -0.27 0.00 -2.93 0.00 0.00 61.98 57.44 1g9l s VAL 16 Cb -0.22 -2.67 -0.08 0.00 -1.53 0.00 0.00 36.38 31.88 1g9l s VAL 16 CO -0.03 -0.11 2.40 -2.65 -3.33 0.00 0.00 175.10 171.38 1g9l n PRO 17 N 4.59 1.14 -2.50 1.54 -0.02 -1.26 -4.86 135.00 133.63 1g9l n PRO 17 Ca -0.13 0.09 -0.41 0.00 -2.02 0.00 0.00 63.50 61.03 1g9l n PRO 17 Cb 0.43 -3.29 0.01 0.00 -0.02 0.00 0.00 33.50 30.63 1g9l n PRO 17 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1g9l n GLN 18 N 8.92 4.88 0.00 -0.52 1.13 -1.26 -4.99 117.38 125.54 1g9l n GLN 18 Ca 0.37 -4.21 0.00 0.00 -1.94 0.00 0.00 57.00 51.22 1g9l n GLN 18 Cb 0.50 -2.56 0.00 0.00 0.11 0.00 0.00 30.24 28.28 1g9l n GLN 18 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1g9l n TYR 19 N 1.04 -1.43 -1.37 1.08 4.02 -1.26 -5.01 117.16 114.22 1g9l n TYR 19 Ca 0.47 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 58.06 1g9l n TYR 19 Cb 0.28 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 39.71 1g9l n TYR 19 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1g9l s LYS 20 N -1.12 1.78 0.12 -0.72 2.47 -1.26 -4.97 119.74 116.04 1g9l s LYS 20 Ca 0.00 0.79 0.24 0.00 -1.56 0.00 0.00 55.97 55.43 1g9l s LYS 20 Cb 0.00 -1.87 0.21 0.00 -1.46 0.00 0.00 37.83 34.70 1g9l s LYS 20 CO 0.00 -1.87 1.19 2.48 0.16 0.00 0.00 175.35 177.32 1g9l n TYR 21 N -3.62 0.56 0.00 4.03 0.18 -1.26 -3.94 117.16 113.11 1g9l n TYR 21 Ca 0.07 0.16 0.00 0.00 1.88 0.00 0.00 57.90 60.02 1g9l n TYR 21 Cb 0.55 -0.66 0.00 0.00 -0.38 0.00 0.00 39.34 38.85 1g9l n TYR 21 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1g9l n ALA 22 N -1.90 -0.03 -1.69 -3.48 0.00 -1.26 -4.32 120.51 107.83 1g9l n ALA 22 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.13 1g9l n ALA 22 Cb 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 1g9l n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 23 N -1.30 6.72 -0.04 0.00 0.00 -1.26 -4.48 120.51 120.15 1g9l n ALA 23 Ca 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 53.44 49.87 1g9l n ALA 23 Cb 0.00 -2.57 -0.02 0.00 0.00 0.00 0.00 19.45 16.87 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 1.62 -0.43 3.31 0.00 0.00 -1.25 -4.82 105.19 103.61 1g9l n GLY 24 Ca 0.58 -0.18 -0.46 0.00 0.00 0.00 0.00 46.02 45.95 1g9l n GLY 24 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1g9l s VAL 25 N -2.18 5.26 -0.86 1.61 -7.23 -1.26 -4.86 120.40 110.88 1g9l s VAL 25 Ca -0.16 -1.75 0.24 0.00 -1.81 0.00 0.00 61.98 58.49 1g9l s VAL 25 Cb 0.02 -4.34 -0.04 0.00 0.56 0.00 0.00 36.38 32.57 1g9l s VAL 25 CO 0.24 -0.90 1.25 -1.14 -0.31 0.00 0.00 175.10 174.24 1g9l n ARG 26 N 4.92 0.10 -3.49 4.82 3.00 -1.26 -4.86 116.66 119.89 1g9l n ARG 26 Ca -0.07 0.01 -0.37 0.00 -0.00 0.00 0.00 57.85 57.42 1g9l n ARG 26 Cb 0.42 -1.55 -0.07 0.00 0.00 0.00 0.00 32.46 31.26 1g9l n ARG 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1g9l s ASN 27 N -3.37 6.54 0.27 6.15 2.20 -1.26 -4.96 114.94 120.51 1g9l s ASN 27 Ca 0.08 0.64 0.20 0.00 -0.94 0.00 0.00 52.86 52.84 1g9l s ASN 27 Cb 0.16 -2.21 1.01 0.00 -2.00 0.00 0.00 41.25 38.20 1g9l s ASN 27 CO 0.75 0.12 1.60 -2.65 -2.94 0.00 0.00 177.10 173.97 1g9l n PRO 28 N 3.31 0.13 -2.45 3.55 -0.02 -1.26 -4.49 135.00 133.77 1g9l n PRO 28 Ca -0.11 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.53 1g9l n PRO 28 Cb 0.52 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 1g9l n PRO 28 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1g9l s GLN 29 N -3.43 3.25 -0.01 -0.52 -1.52 -1.26 -4.80 119.66 111.36 1g9l s GLN 29 Ca -0.01 0.18 0.22 0.00 -1.95 0.00 0.00 55.36 53.80 1g9l s GLN 29 Cb 0.06 -4.15 -0.26 0.00 -0.22 0.00 0.00 33.01 28.45 1g9l s GLN 29 CO 0.22 -2.03 0.74 0.94 -0.25 0.00 0.00 175.29 174.91 1g9l n GLN 30 N 8.92 0.27 -3.71 2.91 7.27 -1.26 -4.99 117.38 126.79 1g9l n GLN 30 Ca 0.09 -0.08 -0.24 0.00 0.07 0.00 0.00 57.00 56.84 1g9l n GLN 30 Cb 0.49 -1.51 0.05 0.00 2.41 0.00 0.00 30.24 31.68 1g9l n GLN 30 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1g9l n HIS 31 N -1.82 -2.27 -2.46 3.69 8.25 -1.26 -4.97 115.22 114.38 1g9l n HIS 31 Ca 0.01 0.91 -0.28 0.00 -0.26 0.00 0.00 57.72 58.10 1g9l n HIS 31 Cb 0.43 -4.48 0.01 0.00 1.12 0.00 0.00 29.99 27.06 1g9l n HIS 31 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1g9l s LEU 32 N -6.95 3.49 0.25 2.41 1.43 -1.26 -5.09 118.68 112.97 1g9l s LEU 32 Ca 0.33 0.99 0.06 0.00 -1.03 0.00 0.00 54.13 54.47 1g9l s LEU 32 Cb -0.16 -3.94 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 1g9l s LEU 32 CO 0.79 -0.71 0.32 0.20 0.23 0.00 0.00 176.35 177.18 1g9l s ASN 33 N -4.15 6.01 0.14 2.29 -0.87 -1.26 -5.06 114.94 112.04 1g9l s ASN 33 Ca 0.50 -0.07 -0.31 0.00 -1.57 0.00 0.00 52.86 51.41 1g9l s ASN 33 Cb -0.10 -1.64 -0.10 0.00 -0.02 0.00 0.00 41.25 39.39 1g9l s ASN 33 CO 0.47 -0.10 1.60 0.00 -2.57 0.00 0.00 177.10 176.49 1g9l s ALA 34 N -2.05 3.75 -0.11 0.60 0.00 -1.26 -5.00 121.76 117.68 1g9l s ALA 34 Ca 0.35 1.32 -0.07 0.00 0.00 0.00 0.00 51.96 53.56 1g9l s ALA 34 Cb -0.09 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 1g9l s ALA 34 CO 0.28 -0.88 0.14 -0.65 0.00 0.00 0.00 175.76 174.65 1g9l s GLN 35 N 1.62 3.44 0.03 0.00 -0.21 -1.26 -4.99 119.66 118.29 1g9l s GLN 35 Ca 0.71 -0.14 0.27 0.00 0.02 0.00 0.00 55.36 56.22 1g9l s GLN 35 Cb -0.43 -3.18 1.14 0.00 1.00 0.00 0.00 33.01 31.54 1g9l s GLN 35 CO 0.32 0.77 1.87 -0.35 -2.12 0.00 0.00 175.29 175.78 1g9l n PRO 36 N 1.90 0.03 -0.02 2.91 -0.04 -1.26 -4.83 135.00 133.68 1g9l n PRO 36 Ca -0.19 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1g9l n PRO 36 Cb 0.55 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1g9l n PRO 36 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1g9l n GLN 37 N -1.59 0.49 -2.64 0.54 6.02 -1.26 -5.02 117.38 113.91 1g9l n GLN 37 Ca 0.06 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.65 1g9l n GLN 37 Cb 0.33 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.54 1g9l n GLN 37 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1g9l s VAL 38 N -0.49 3.93 -1.51 5.09 1.01 -1.26 -4.94 120.40 122.23 1g9l s VAL 38 Ca 0.00 1.87 0.25 0.00 0.00 0.00 0.00 61.98 64.10 1g9l s VAL 38 Cb 0.00 -4.19 0.13 0.00 0.00 0.00 0.00 36.38 32.33 1g9l s VAL 38 CO 0.00 0.41 1.44 0.41 0.00 0.00 0.00 175.10 177.36 1g9l n THR 39 N 1.66 0.00 -2.93 3.92 -1.04 -1.26 -4.70 114.28 109.93 1g9l n THR 39 Ca -0.01 -0.10 -0.44 0.00 -2.04 0.00 0.00 64.05 61.47 1g9l n THR 39 Cb 0.47 0.47 -0.03 0.00 -1.82 0.00 0.00 70.33 69.42 1g9l n THR 39 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1g9l s MET 40 N -2.68 3.57 -0.15 -2.82 -2.45 -1.26 -5.00 119.30 108.52 1g9l s MET 40 Ca 0.19 -1.72 -0.01 0.00 -1.25 0.00 0.00 55.69 52.90 1g9l s MET 40 Cb 0.18 -4.87 -0.01 0.00 1.25 0.00 0.00 34.83 31.38 1g9l s MET 40 CO 0.60 -1.77 -0.11 1.14 1.05 0.00 0.00 175.02 175.93 1g9l s GLN 41 N 2.72 3.37 -0.23 4.11 -2.07 -1.26 -5.02 119.66 121.28 1g9l s GLN 41 Ca 0.32 -0.68 -0.18 0.00 -1.82 0.00 0.00 55.36 53.00 1g9l s GLN 41 Cb -0.06 -2.71 -0.15 0.00 -1.09 0.00 0.00 33.01 29.01 1g9l s GLN 41 CO -0.08 0.11 -0.04 1.04 -1.32 0.00 0.00 175.29 175.00 1g9l n GLN 42 N 3.83 0.56 -2.11 9.60 6.02 -1.26 -4.74 117.38 129.28 1g9l n GLN 42 Ca -0.18 0.45 -0.29 0.00 -0.01 0.00 0.00 57.00 56.97 1g9l n GLN 42 Cb 0.52 -1.64 -0.05 0.00 1.02 0.00 0.00 30.24 30.09 1g9l n GLN 42 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1g9l s PRO 43 N -2.43 2.66 0.12 -1.09 0.04 -1.26 -4.95 135.00 128.09 1g9l s PRO 43 Ca -0.31 -0.71 -0.30 0.00 0.04 0.00 0.00 61.00 59.71 1g9l s PRO 43 Cb 0.09 -5.16 -0.06 0.00 0.04 0.00 0.00 34.50 29.40 1g9l s PRO 43 CO 0.52 -3.47 1.06 0.00 0.04 0.00 0.00 177.00 175.15 1g9l s ALA 44 N 9.84 3.31 -1.58 8.56 0.00 -1.26 -4.92 121.76 135.71 1g9l s ALA 44 Ca 0.67 0.72 0.07 0.00 0.00 0.00 0.00 51.96 53.42 1g9l s ALA 44 Cb -0.04 -3.34 0.24 0.00 0.00 0.00 0.00 23.12 19.99 1g9l s ALA 44 CO 0.04 -0.18 1.10 1.33 0.00 0.00 0.00 175.76 178.04 1g9l n VAL 45 N 2.88 0.55 1.02 0.00 0.24 -1.26 -3.47 118.33 118.27 1g9l n VAL 45 Ca 0.04 -0.39 0.11 0.00 -2.04 0.00 0.00 64.34 62.06 1g9l n VAL 45 Cb 0.48 -0.03 -0.02 0.00 -1.47 0.00 0.00 33.84 32.80 1g9l n VAL 45 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1g9l n HIS 46 N 0.24 0.00 -1.55 6.34 -0.00 -1.26 -4.29 115.22 114.70 1g9l n HIS 46 Ca 0.09 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.51 1g9l n HIS 46 Cb 0.34 -0.02 0.07 0.00 -0.00 0.00 0.00 29.99 30.37 1g9l n HIS 46 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1g9l n VAL 47 N -0.83 3.22 1.19 3.57 0.31 -1.23 -4.58 118.33 119.98 1g9l n VAL 47 Ca 0.07 -3.30 0.05 0.00 -0.01 0.00 0.00 64.34 61.16 1g9l n VAL 47 Cb 0.39 -1.09 0.18 0.00 -0.91 0.00 0.00 33.84 32.41 1g9l n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1g9l n GLN 48 N -0.87 1.61 -0.44 5.55 10.64 -1.26 -3.90 117.38 128.70 1g9l n GLN 48 Ca 0.55 -0.94 0.04 0.00 -1.83 0.00 0.00 57.00 54.82 1g9l n GLN 48 Cb 0.82 -1.24 0.21 0.00 -0.86 0.00 0.00 30.24 29.17 1g9l n GLN 48 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1g9l n GLY 49 N 0.95 2.12 3.84 2.61 0.00 -1.26 -4.88 105.19 108.56 1g9l n GLY 49 Ca 0.10 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 1g9l n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g9l s GLN 50 N -1.88 3.75 -0.04 1.61 -1.52 -1.25 -5.08 119.66 115.25 1g9l s GLN 50 Ca 0.28 0.08 -0.25 0.00 -1.95 0.00 0.00 55.36 53.52 1g9l s GLN 50 Cb 0.21 -3.24 -0.04 0.00 -0.22 0.00 0.00 33.01 29.72 1g9l s GLN 50 CO 0.09 0.65 0.75 -1.21 -0.25 0.00 0.00 175.29 175.33 1g9l s GLU 51 N -0.77 4.46 0.19 2.91 2.02 -1.26 -5.01 118.70 121.24 1g9l s GLU 51 Ca 0.18 0.99 -0.32 0.00 0.02 0.00 0.00 54.97 55.84 1g9l s GLU 51 Cb -0.14 -3.44 -0.12 0.00 0.10 0.00 0.00 34.13 30.54 1g9l s GLU 51 CO 0.07 0.08 1.75 -2.30 0.02 0.00 0.00 175.26 174.88 1g9l n PRO 52 N 3.65 2.76 -2.83 0.39 -0.02 -1.26 -4.96 135.00 132.73 1g9l n PRO 52 Ca -0.00 1.00 -0.40 0.00 -2.02 0.00 0.00 63.50 62.07 1g9l n PRO 52 Cb 0.51 -2.86 -0.05 0.00 -0.02 0.00 0.00 33.50 31.09 1g9l n PRO 52 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1g9l s LEU 53 N 1.55 4.53 0.20 2.45 1.98 -1.26 -4.83 118.68 123.29 1g9l s LEU 53 Ca 0.77 1.72 -0.22 0.00 -2.89 0.00 0.00 54.13 53.51 1g9l s LEU 53 Cb -0.51 -3.46 0.08 0.00 0.66 0.00 0.00 46.19 42.96 1g9l s LEU 53 CO 0.34 0.03 1.03 -0.89 -1.89 0.00 0.00 176.35 174.96 1g9l s THR 54 N -0.37 0.00 0.28 3.68 2.01 -1.26 -4.85 115.64 115.12 1g9l s THR 54 Ca 0.42 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.82 1g9l s THR 54 Cb -0.23 -2.94 0.29 0.00 0.01 0.00 0.00 72.50 69.64 1g9l s THR 54 CO 0.28 0.00 1.66 0.00 -0.69 0.00 0.00 174.62 175.87 1g9l h ALA 55 N 2.00 1.23 -0.44 7.40 0.00 -1.55 0.17 119.26 128.07 1g9l h ALA 55 Ca -0.28 0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1g9l h ALA 55 Cb 1.22 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 1g9l h ALA 55 CO 0.37 -0.43 0.19 1.03 0.00 0.00 0.00 179.25 180.42 1g9l h SER 56 N 0.24 0.26 -0.79 0.00 0.87 -1.86 0.11 113.55 112.38 1g9l h SER 56 Ca 0.53 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 61.16 1g9l h SER 56 Cb 1.03 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.93 1g9l h SER 56 CO -0.61 0.19 0.50 0.24 -0.53 0.00 0.00 176.83 176.61 1g9l h MET 57 N 0.39 0.92 -0.73 2.24 2.07 -1.04 -1.50 114.93 117.28 1g9l h MET 57 Ca 0.20 -0.06 -0.01 0.00 -2.07 0.00 0.00 59.70 57.76 1g9l h MET 57 Cb 0.14 -0.21 -0.03 0.00 -1.87 0.00 0.00 31.60 29.63 1g9l h MET 57 CO -0.16 0.61 0.43 -0.07 1.07 0.00 0.00 176.91 178.78 1g9l h LEU 58 N 0.95 0.89 -2.10 1.22 -0.00 -0.25 -1.40 115.31 114.61 1g9l h LEU 58 Ca 0.33 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 58.13 1g9l h LEU 58 Cb 0.07 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.51 1g9l h LEU 58 CO -0.13 0.70 0.00 0.00 -0.00 0.00 0.00 178.44 179.01 1g9l h ALA 59 N 1.22 1.00 0.00 1.53 0.00 0.24 -0.87 119.26 122.39 1g9l h ALA 59 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1g9l h ALA 59 Cb -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1g9l h ALA 59 CO -0.05 0.00 -0.10 1.03 0.00 0.00 0.00 179.25 180.13 1g9l h SER 60 N 0.00 0.00 -2.08 0.00 0.87 -0.91 -3.30 113.55 108.13 1g9l h SER 60 Ca 0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.01 1g9l h SER 60 Cb 0.03 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 61.59 1g9l h SER 60 CO 0.00 0.10 -0.96 0.00 -0.53 0.00 0.00 176.83 175.44 1g9l n ALA 61 N -2.16 2.96 -0.01 6.23 0.00 -0.33 -4.99 120.51 122.21 1g9l n ALA 61 Ca -0.00 -3.86 -0.09 0.00 0.00 0.00 0.00 53.44 49.49 1g9l n ALA 61 Cb 0.34 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 1g9l n ALA 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1g9l h PRO 62 N 3.62 -0.21 -0.76 0.00 0.11 -1.66 0.11 132.00 133.22 1g9l h PRO 62 Ca 0.11 0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.11 1g9l h PRO 62 Cb 0.81 0.05 -0.08 0.00 0.11 0.00 0.00 31.00 31.89 1g9l h PRO 62 CO 0.60 -0.14 0.16 -0.35 -0.21 0.00 0.00 178.00 178.06 1g9l n PRO 63 N -5.33 3.56 0.00 1.05 -0.04 -1.26 -4.26 135.00 128.72 1g9l n PRO 63 Ca -0.02 -2.56 0.00 0.00 -0.04 0.00 0.00 63.50 60.88 1g9l n PRO 63 Cb 0.24 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 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 0.10 0.00 -1.21 0.54 1.13 -0.88 -4.96 117.38 112.10 1g9l n GLN 64 Ca 0.31 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 55.17 1g9l n GLN 64 Cb 1.16 0.00 0.14 0.00 0.11 0.00 0.00 30.24 31.66 1g9l n GLN 64 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1g9l n GLU 65 N -0.10 2.37 0.13 -1.09 0.28 -0.89 -4.54 120.64 116.81 1g9l n GLU 65 Ca 0.00 -3.29 0.00 0.00 -0.16 0.00 0.00 57.16 53.72 1g9l n GLU 65 Cb 0.00 -2.09 0.12 0.00 1.43 0.00 0.00 31.44 30.90 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 1.38 0.00 -0.06 3.44 4.15 -0.97 -3.15 115.11 119.89 1g9l h GLN 66 Ca 0.46 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.78 1g9l h GLN 66 Cb 1.81 0.00 -0.16 0.00 0.21 0.00 0.00 27.48 29.34 1g9l h GLN 66 CO 0.93 0.61 -0.71 0.36 -1.93 0.00 0.00 178.83 178.10 1g9l n LYS 67 N -3.49 1.24 0.07 1.69 2.85 -1.26 -4.82 118.16 114.43 1g9l n LYS 67 Ca 0.00 -2.97 0.00 0.00 -1.05 0.00 0.00 58.31 54.29 1g9l n LYS 67 Cb 0.69 -1.16 0.00 0.00 -0.65 0.00 0.00 35.03 33.90 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 -0.58 0.00 -0.05 -1.58 7.27 -1.24 -4.84 117.38 116.36 1g9l n GLN 68 Ca 0.16 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.22 1g9l n GLN 68 Cb 0.85 -0.19 0.01 0.00 2.41 0.00 0.00 30.24 33.33 1g9l n GLN 68 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1g9l n MET 69 N -3.17 1.08 -0.07 3.69 0.00 -1.19 -3.48 117.12 113.97 1g9l n MET 69 Ca 0.00 -0.14 -0.22 0.00 0.00 0.00 0.00 57.70 57.35 1g9l n MET 69 Cb 0.08 -1.14 -0.12 0.00 0.00 0.00 0.00 33.22 32.03 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 0.85 0.11 -2.99 3.17 -0.00 -1.88 -3.21 115.31 111.37 1g9l h LEU 70 Ca 0.02 -0.63 0.00 0.00 -0.00 0.00 0.00 57.88 57.28 1g9l h LEU 70 Cb 0.99 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.61 1g9l h LEU 70 CO 0.04 1.59 0.00 0.61 -0.00 0.00 0.00 178.44 180.68 1g9l n GLY 71 N 1.58 3.10 0.00 0.17 0.00 -1.25 -4.01 105.19 104.78 1g9l n GLY 71 Ca -0.32 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 0.25 -0.49 0.00 1.61 -0.58 -1.23 -3.75 120.64 116.45 1g9l n GLU 72 Ca 0.14 -0.36 0.00 0.00 -0.42 0.00 0.00 57.16 56.53 1g9l n GLU 72 Cb 0.55 -0.81 0.00 0.00 -0.57 0.00 0.00 31.44 30.61 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 -0.02 2.28 0.20 3.49 0.00 -1.21 -4.72 116.66 116.68 1g9l n ARG 73 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.85 58.00 1g9l n ARG 73 Cb 0.11 -0.84 0.78 0.00 0.00 0.00 0.00 32.46 32.51 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 -0.73 6.15 -0.00 -1.70 -3.31 115.31 115.73 1g9l h LEU 74 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.95 1g9l h LEU 74 Cb 0.68 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.25 1g9l h LEU 74 CO 0.00 0.00 -0.43 0.33 -0.00 0.00 0.00 178.44 178.34 1g9l n PHE 75 N -4.05 -0.32 0.21 1.13 7.35 -1.26 0.12 117.46 120.64 1g9l n PHE 75 Ca 0.01 0.91 0.11 0.00 -0.76 0.00 0.00 57.45 57.72 1g9l n PHE 75 Cb 0.28 -0.55 0.57 0.00 0.35 0.00 0.00 39.48 40.13 1g9l n PHE 75 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1g9l n PRO 76 N -4.68 0.15 -0.03 -7.13 -0.04 -1.24 -1.85 135.00 120.18 1g9l n PRO 76 Ca 0.01 0.59 -0.01 0.00 -0.04 0.00 0.00 63.50 64.06 1g9l n PRO 76 Cb 0.19 -1.94 -0.14 0.00 -0.04 0.00 0.00 33.50 31.57 1g9l n PRO 76 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1g9l n LEU 77 N -2.26 0.29 -0.05 1.53 7.99 0.32 -4.39 117.00 120.43 1g9l n LEU 77 Ca -0.01 0.13 -0.14 0.00 -0.01 0.00 0.00 56.01 55.98 1g9l n LEU 77 Cb 0.08 0.23 -0.08 0.00 -0.11 0.00 0.00 43.42 43.54 1g9l n LEU 77 CO 0.12 0.25 0.55 0.40 -1.51 0.00 0.00 177.39 177.20 1g9l h ILE 78 N 0.00 1.37 0.00 -0.08 1.08 0.94 -2.85 117.51 117.97 1g9l h ILE 78 Ca -0.28 -1.44 0.00 0.00 -0.39 0.00 0.00 64.86 62.76 1g9l h ILE 78 Cb 1.70 2.01 0.00 0.00 -3.07 0.00 0.00 36.82 37.46 1g9l h ILE 78 CO 0.03 0.42 0.48 1.56 -0.69 0.00 0.00 178.15 179.94 1g9l h GLN 79 N -0.05 0.00 0.18 2.37 4.20 -1.73 0.70 115.11 120.78 1g9l h GLN 79 Ca 0.01 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.40 1g9l h GLN 79 Cb 0.77 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.56 1g9l h GLN 79 CO 0.05 0.00 -1.46 0.00 -0.67 0.00 0.00 178.83 176.74 1g9l h ALA 80 N 1.01 0.04 -0.05 3.87 0.00 -1.71 -3.20 119.26 119.22 1g9l h ALA 80 Ca 0.00 -0.96 -0.22 0.00 0.00 0.00 0.00 54.91 53.73 1g9l h ALA 80 Cb 0.95 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1g9l h ALA 80 CO 0.00 0.91 -0.88 0.52 0.00 0.00 0.00 179.25 179.79 1g9l h MET 81 N 0.11 0.55 -6.22 0.00 2.86 0.35 -3.46 114.93 109.12 1g9l h MET 81 Ca -0.23 -0.52 -0.57 0.00 -2.06 0.00 0.00 59.70 56.32 1g9l h MET 81 Cb 2.08 0.13 -0.21 0.00 0.06 0.00 0.00 31.60 33.66 1g9l h MET 81 CO 0.22 1.15 -0.83 -1.01 1.06 0.00 0.00 176.91 177.51 1g9l s HIS 82 N -3.45 1.85 -0.99 -0.22 4.02 -0.34 -5.04 115.29 111.12 1g9l s HIS 82 Ca -0.07 -0.42 -0.25 0.00 1.02 0.00 0.00 55.06 55.34 1g9l s HIS 82 Cb 0.09 -1.00 -0.22 0.00 -1.02 0.00 0.00 32.58 30.43 1g9l s HIS 82 CO 0.88 0.24 2.02 -2.30 1.02 0.00 0.00 174.74 176.60 1g9l n PRO 83 N 0.97 0.08 -3.84 8.40 -0.02 -1.26 -3.61 135.00 135.72 1g9l n PRO 83 Ca -0.19 -1.56 -0.28 0.00 -2.02 0.00 0.00 63.50 59.45 1g9l n PRO 83 Cb 0.54 -3.70 -0.05 0.00 -0.02 0.00 0.00 33.50 30.27 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 8.73 -0.04 1.58 3.45 5.66 -1.21 -4.76 114.28 127.70 1g9l n THR 84 Ca 0.37 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.49 1g9l n THR 84 Cb 0.47 -0.39 0.53 0.00 -1.55 0.00 0.00 70.33 69.40 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 -3.55 1.00 0.00 1.09 4.32 -1.24 -4.81 117.00 113.81 1g9l n LEU 85 Ca 0.08 -0.39 0.00 0.00 -0.02 0.00 0.00 56.01 55.68 1g9l n LEU 85 Cb 0.47 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 1g9l n LEU 85 CO 0.64 0.19 0.00 0.00 -1.22 0.00 0.00 177.39 177.00 1g9l n ALA 86 N -0.16 0.00 -0.27 -1.18 0.00 -1.26 -4.56 120.51 113.07 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 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 1.69 2.36 0.00 0.00 0.00 -1.26 -4.33 105.19 103.64 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 -0.24 0.00 -0.24 3.15 5.41 -1.26 0.77 119.36 126.95 1g9l n ILE 89 Ca 0.00 0.90 0.07 0.00 1.00 0.00 0.00 62.75 64.72 1g9l n ILE 89 Cb 0.00 -1.63 0.32 0.00 -0.71 0.00 0.00 39.64 37.62 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 0.99 -0.27 1.39 2.02 -1.90 0.37 112.91 115.51 1g9l h THR 90 Ca 0.00 -0.28 0.08 0.00 0.77 0.00 0.00 66.41 66.98 1g9l h THR 90 Cb 0.00 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 1g9l h THR 90 CO 0.00 0.15 0.22 1.23 0.37 0.00 0.00 175.52 177.50 1g9l h GLY 91 N 0.83 0.00 1.64 2.16 0.00 -1.61 0.31 103.07 106.39 1g9l h GLY 91 Ca 0.37 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.46 1g9l h GLY 91 CO -0.14 0.00 -1.02 1.98 0.00 0.00 0.00 176.54 177.37 1g9l h MET 92 N 0.00 0.31 0.00 4.80 -1.53 0.45 -3.18 114.93 115.78 1g9l h MET 92 Ca 0.13 -0.38 0.00 0.00 -3.44 0.00 0.00 59.70 56.01 1g9l h MET 92 Cb 0.58 0.12 0.00 0.00 -0.55 0.00 0.00 31.60 31.75 1g9l h MET 92 CO -0.00 1.10 0.04 1.28 0.14 0.00 0.00 176.91 179.47 1g9l n LEU 93 N -3.65 0.00 -1.76 3.39 7.99 0.11 0.80 117.00 123.87 1g9l n LEU 93 Ca -0.06 0.43 -0.09 0.00 -0.01 0.00 0.00 56.01 56.27 1g9l n LEU 93 Cb 0.89 -0.43 0.24 0.00 -0.11 0.00 0.00 43.42 44.00 1g9l n LEU 93 CO 0.51 -0.43 1.00 0.18 -1.51 0.00 0.00 177.39 177.14 1g9l n LEU 94 N -1.43 5.61 0.00 2.23 7.99 -1.16 -3.81 117.00 126.43 1g9l n LEU 94 Ca 0.00 -3.45 0.00 0.00 -0.01 0.00 0.00 56.01 52.55 1g9l n LEU 94 Cb 0.04 -0.73 0.00 0.00 -0.11 0.00 0.00 43.42 42.62 1g9l n LEU 94 CO 0.00 0.97 0.00 -1.84 -1.51 0.00 0.00 177.39 175.01 1g9l n GLU 95 N -0.71 0.00 0.00 3.23 0.28 0.24 -5.09 120.64 118.58 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 1.34 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.21 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 0.19 -4.62 119.36 118.78 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 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.76 1g9l n ILE 96 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1g9l n ASP 97 N 0.00 0.00 0.00 7.28 2.03 -1.26 -4.75 116.55 119.85 1g9l n ASP 97 Ca 0.00 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.65 1g9l n ASP 97 Cb 0.00 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 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 -1.34 0.00 0.15 1.67 4.13 -1.26 -4.71 115.26 113.90 1g9l n ASN 98 Ca 0.00 0.00 0.03 0.00 1.68 0.00 0.00 54.58 56.29 1g9l n ASN 98 Cb 0.14 -0.01 0.09 0.00 -1.54 0.00 0.00 39.78 38.46 1g9l n ASN 98 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1g9l h SER 99 N 0.00 0.00 1.36 6.41 0.02 -1.96 -2.85 113.55 116.53 1g9l h SER 99 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 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 0.49 -0.51 -0.33 -1.14 0.00 0.00 176.83 175.34 1g9l h GLU 100 N 0.00 0.00 0.00 3.45 3.07 -1.91 -0.25 114.58 118.95 1g9l h GLU 100 Ca -0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.74 1g9l h GLU 100 Cb 1.29 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.18 1g9l h GLU 100 CO 0.06 0.51 -0.53 1.25 -1.40 0.00 0.00 179.01 178.90 1g9l h LEU 101 N 0.00 0.00 0.06 1.33 5.85 -1.62 -1.81 115.31 119.12 1g9l h LEU 101 Ca -0.01 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.45 1g9l h LEU 101 Cb 1.33 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 1g9l h LEU 101 CO 0.07 0.53 -1.44 -0.07 -0.34 0.00 0.00 178.44 177.18 1g9l h LEU 102 N 0.00 0.21 -0.25 2.25 4.07 -1.42 -3.35 115.31 116.83 1g9l h LEU 102 Ca -0.01 -0.74 -0.01 0.00 0.08 0.00 0.00 57.88 57.20 1g9l h LEU 102 Cb 1.14 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.80 1g9l h LEU 102 CO 0.07 1.60 0.11 -0.74 -1.08 0.00 0.00 178.44 178.40 1g9l h HIS 103 N -0.53 0.37 -0.89 1.13 2.76 -1.11 -2.52 115.15 114.36 1g9l h HIS 103 Ca -0.34 -0.02 0.18 0.00 -2.20 0.00 0.00 60.37 57.99 1g9l h HIS 103 Cb 1.61 -0.11 -0.07 0.00 1.55 0.00 0.00 27.41 30.39 1g9l h HIS 103 CO 0.11 0.37 0.58 0.00 -1.30 0.00 0.00 177.93 177.69 1g9l h MET 104 N 0.26 0.48 0.00 5.26 -0.00 -1.52 0.52 114.93 119.93 1g9l h MET 104 Ca 0.08 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.75 1g9l h MET 104 Cb 0.15 -0.11 0.00 0.00 -0.00 0.00 0.00 31.60 31.64 1g9l h MET 104 CO -0.01 0.32 -0.21 1.28 -0.00 0.00 0.00 176.91 178.28 1g9l n LEU 105 N -4.54 0.41 -0.00 -0.10 4.77 -1.07 -2.35 117.00 114.13 1g9l n LEU 105 Ca 0.19 0.36 0.06 0.00 -0.03 0.00 0.00 56.01 56.59 1g9l n LEU 105 Cb 0.62 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 41.29 1g9l n LEU 105 CO 0.30 -0.02 -0.13 -1.84 -1.33 0.00 0.00 177.39 174.37 1g9l n GLU 106 N -1.78 2.52 -3.84 3.23 -0.00 0.14 -4.71 120.64 116.20 1g9l n GLU 106 Ca 0.06 -0.02 -0.13 0.00 -0.00 0.00 0.00 57.16 57.07 1g9l n GLU 106 Cb 0.38 -1.12 -0.15 0.00 -0.00 0.00 0.00 31.44 30.55 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 -2.37 0.01 0.00 -1.84 0.15 1.00 -5.01 113.70 105.64 1g9l s SER 107 Ca 0.03 0.02 0.17 0.00 0.70 0.00 0.00 55.95 56.87 1g9l s SER 107 Cb 0.09 -0.01 1.01 0.00 -1.71 0.00 0.00 66.02 65.41 1g9l s SER 107 CO 0.51 -0.04 1.46 -2.65 1.20 0.00 0.00 173.24 173.72 1g9l n PRO 108 N 3.41 0.68 0.00 5.44 -0.02 -1.26 -2.41 135.00 140.83 1g9l n PRO 108 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1g9l n PRO 108 Cb 0.57 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 1g9l n PRO 108 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1g9l n GLU 109 N -0.89 2.85 -0.02 -0.52 1.02 -1.26 -4.63 120.64 117.19 1g9l n GLU 109 Ca 0.13 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.14 1g9l n GLU 109 Cb 0.06 -0.76 -0.10 0.00 -0.02 0.00 0.00 31.44 30.61 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 -0.04 -1.04 1.62 4.64 -1.74 0.30 113.55 117.30 1g9l h SER 110 Ca 0.00 -0.64 0.29 0.00 -0.47 0.00 0.00 61.79 60.97 1g9l h SER 110 Cb 0.00 0.01 -0.13 0.00 -0.31 0.00 0.00 62.40 61.97 1g9l h SER 110 CO 0.00 0.66 0.63 0.25 -0.87 0.00 0.00 176.83 177.50 1g9l h LEU 111 N -0.78 0.53 0.00 5.97 7.12 -1.63 0.56 115.31 127.07 1g9l h LEU 111 Ca -0.00 0.14 0.00 0.00 0.13 0.00 0.00 57.88 58.15 1g9l h LEU 111 Cb 0.68 0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.88 1g9l h LEU 111 CO 0.01 -0.01 -0.02 -0.09 -0.13 0.00 0.00 178.44 178.20 1g9l h ARG 112 N 0.41 0.00 -0.44 1.25 2.43 -1.81 -2.91 114.38 113.30 1g9l h ARG 112 Ca 0.68 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.93 1g9l h ARG 112 Cb 1.57 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 31.02 1g9l h ARG 112 CO -0.47 0.00 -0.33 0.77 -1.51 0.00 0.00 179.97 178.43 1g9l h SER 113 N -0.46 -1.12 -0.39 -3.80 0.02 -0.06 0.31 113.55 108.05 1g9l h SER 113 Ca 0.00 0.20 0.03 0.00 -0.84 0.00 0.00 61.79 61.18 1g9l h SER 113 Cb 0.02 0.53 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1g9l h SER 113 CO 0.00 -0.32 0.26 0.11 -1.14 0.00 0.00 176.83 175.74 1g9l h LYS 114 N -0.23 0.38 0.24 3.45 1.79 -0.08 0.40 116.57 122.52 1g9l h LYS 114 Ca 0.18 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1g9l h LYS 114 Cb 0.54 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1g9l h LYS 114 CO -0.57 0.25 -0.12 0.28 -1.08 0.00 0.00 179.45 178.22 1g9l h VAL 115 N 0.40 0.71 -1.00 0.50 2.07 -0.46 0.21 116.25 118.68 1g9l h VAL 115 Ca 0.16 -0.89 0.17 0.00 0.82 0.00 0.00 66.70 66.96 1g9l h VAL 115 Cb 0.14 1.13 -0.10 0.00 -1.52 0.00 0.00 31.29 30.94 1g9l h VAL 115 CO -0.04 0.16 0.61 0.44 0.02 0.00 0.00 177.57 178.77 1g9l h ASP 116 N -0.85 0.81 0.27 0.57 5.19 -0.22 0.28 116.42 122.47 1g9l h ASP 116 Ca -0.03 0.09 -0.18 0.00 -0.62 0.00 0.00 57.03 56.28 1g9l h ASP 116 Cb 0.51 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.95 1g9l h ASP 116 CO 0.05 0.33 -0.74 -0.33 -3.12 0.00 0.00 179.24 175.43 1g9l h GLU 117 N 0.82 0.39 0.00 3.56 5.08 -0.92 -2.79 114.58 120.71 1g9l h GLU 117 Ca 0.56 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1g9l h GLU 117 Cb 0.79 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 1g9l h GLU 117 CO -0.35 0.97 -0.14 0.00 -1.00 0.00 0.00 179.01 178.49 1g9l h ALA 118 N 0.94 1.19 0.12 3.43 0.00 0.26 -2.44 119.26 122.77 1g9l h ALA 118 Ca -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1g9l h ALA 118 Cb 1.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1g9l h ALA 118 CO 0.13 0.17 -0.06 0.28 0.00 0.00 0.00 179.25 179.77 1g9l h VAL 119 N 0.00 0.97 -0.21 0.00 2.07 -0.36 0.61 116.25 119.34 1g9l h VAL 119 Ca -0.00 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.20 1g9l h VAL 119 Cb 0.44 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1g9l h VAL 119 CO 0.02 0.09 0.27 0.00 0.02 0.00 0.00 177.57 177.96 1g9l h ALA 120 N 0.51 1.78 0.06 1.67 0.00 -1.42 0.28 119.26 122.14 1g9l h ALA 120 Ca -0.02 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 1g9l h ALA 120 Cb 0.28 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1g9l h ALA 120 CO 0.03 -0.37 -1.43 0.28 0.00 0.00 0.00 179.25 177.75 1g9l h VAL 121 N 0.00 1.23 -0.12 0.00 2.07 -0.87 -2.96 116.25 115.60 1g9l h VAL 121 Ca 0.10 -2.94 -0.12 0.00 0.82 0.00 0.00 66.70 64.56 1g9l h VAL 121 Cb 0.63 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1g9l h VAL 121 CO -0.00 0.78 -0.41 0.17 0.02 0.00 0.00 177.57 178.14 1g9l h LEU 122 N 0.03 0.56 -1.67 2.57 8.10 0.34 0.09 115.31 125.33 1g9l h LEU 122 Ca -0.19 -0.61 -0.04 0.00 0.11 0.00 0.00 57.88 57.15 1g9l h LEU 122 Cb 1.95 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 42.00 1g9l h LEU 122 CO 0.13 1.08 -0.18 1.56 -4.11 0.00 0.00 178.44 176.92 1g9l h GLN 123 N 0.07 0.00 0.02 0.17 1.08 -0.85 0.27 115.11 115.87 1g9l h GLN 123 Ca -0.02 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1g9l h GLN 123 Cb 1.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.46 1g9l h GLN 123 CO 0.09 0.18 -0.01 0.00 -0.95 0.00 0.00 178.83 178.14 1g9l h ALA 124 N 1.82 -0.02 0.00 3.87 0.00 -1.40 -1.56 119.26 121.98 1g9l h ALA 124 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1g9l h ALA 124 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1g9l h ALA 124 CO 0.02 -0.12 0.00 1.25 0.00 0.00 0.00 179.25 180.41 1g9l h HIS 125 N -0.81 0.00 0.06 0.00 -0.00 -0.75 1.49 115.15 115.15 1g9l h HIS 125 Ca -0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 60.37 60.12 1g9l h HIS 125 Cb 0.75 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.14 1g9l h HIS 125 CO 0.19 0.00 -1.34 1.96 -0.00 0.00 0.00 177.93 178.74 1g9l h GLN 126 N 0.00 0.14 0.01 5.26 1.08 -0.99 -3.43 115.11 117.18 1g9l h GLN 126 Ca 0.00 -0.23 -0.37 0.00 -1.45 0.00 0.00 58.65 56.59 1g9l h GLN 126 Cb 0.42 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.89 1g9l h GLN 126 CO 0.00 1.11 -2.09 0.00 -0.95 0.00 0.00 178.83 176.90 1g9l n ALA 127 N -3.11 1.07 -2.02 3.87 0.00 -0.59 -5.01 120.51 114.72 1g9l n ALA 127 Ca -0.28 -0.86 -0.22 0.00 0.00 0.00 0.00 53.44 52.09 1g9l n ALA 127 Cb 0.81 -0.20 0.09 0.00 0.00 0.00 0.00 19.45 20.15 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 -2.47 1.94 -1.31 0.00 -2.85 0.51 -5.00 119.74 110.56 1g9l s LYS 128 Ca -0.34 -1.43 -0.06 0.00 -1.00 0.00 0.00 55.97 53.15 1g9l s LYS 128 Cb 0.10 -2.49 0.14 0.00 -2.06 0.00 0.00 37.83 33.52 1g9l s LYS 128 CO 0.57 -1.20 2.28 -0.85 0.10 0.00 0.00 175.35 176.25 1g9l n GLU 129 N -2.56 4.46 0.28 1.78 0.28 -1.25 -4.13 120.64 119.50 1g9l n GLU 129 Ca 0.16 -3.52 0.18 0.00 -0.16 0.00 0.00 57.16 53.82 1g9l n GLU 129 Cb 0.61 -2.67 0.95 0.00 1.43 0.00 0.00 31.44 31.76 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1g9l h ALA 130 N 4.79 1.48 -1.35 -1.84 0.00 -1.85 -3.37 119.26 117.12 1g9l h ALA 130 Ca 0.64 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 55.01 1g9l h ALA 130 Cb 0.36 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1g9l h ALA 130 CO 1.49 -0.18 1.13 0.00 0.00 0.00 0.00 179.25 181.69 1g9l s ALA 131 N -4.43 2.67 1.03 0.00 0.00 -1.26 -4.95 121.76 114.82 1g9l s ALA 131 Ca -0.05 -1.37 -0.17 0.00 0.00 0.00 0.00 51.96 50.38 1g9l s ALA 131 Cb 0.14 -4.29 0.23 0.00 0.00 0.00 0.00 23.12 19.20 1g9l s ALA 131 CO 0.47 -3.40 1.29 1.04 0.00 0.00 0.00 175.76 175.16 1g9l n GLN 132 N 9.31 -1.53 -1.14 0.00 6.02 -1.26 -4.94 117.38 123.84 1g9l n GLN 132 Ca 0.08 -2.00 -0.21 0.00 -0.01 0.00 0.00 57.00 54.86 1g9l n GLN 132 Cb 0.49 -1.40 -0.01 0.00 1.02 0.00 0.00 30.24 30.35 1g9l n GLN 132 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1g9l n LYS 133 N -3.93 2.06 -1.15 -1.09 5.02 -1.26 -4.96 118.16 112.85 1g9l n LYS 133 Ca 0.16 -1.87 -0.29 0.00 -2.02 0.00 0.00 58.31 54.29 1g9l n LYS 133 Cb 0.58 -1.85 0.20 0.00 -0.02 0.00 0.00 35.03 33.94 1g9l n LYS 133 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g9l s ALA 134 N -1.69 0.82 0.98 7.82 0.00 -1.26 -5.06 121.76 123.37 1g9l s ALA 134 Ca 0.44 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1g9l s ALA 134 Cb 0.31 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.40 1g9l s ALA 134 CO -0.09 -3.12 0.00 1.33 0.00 0.00 0.00 175.76 173.87 1g9l n VAL 135 N -4.39 0.00 -2.10 0.00 0.24 -1.26 -5.02 118.33 105.79 1g9l n VAL 135 Ca 0.08 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.03 1g9l n VAL 135 Cb 0.58 -1.98 0.02 0.00 -1.47 0.00 0.00 33.84 31.00 1g9l n VAL 135 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1g9l s ASN 136 N -1.00 5.43 1.07 -1.34 -0.87 -1.26 -5.03 114.94 111.94 1g9l s ASN 136 Ca 0.00 2.24 -0.18 0.00 -1.57 0.00 0.00 52.86 53.36 1g9l s ASN 136 Cb 0.00 -2.59 0.24 0.00 -0.02 0.00 0.00 41.25 38.89 1g9l s ASN 136 CO 0.00 -1.42 1.25 -0.44 -2.57 0.00 0.00 177.10 173.91 1g9l s SER 137 N -1.79 2.11 -1.32 -1.22 0.01 -1.26 -4.92 113.70 105.31 1g9l s SER 137 Ca 0.74 0.37 -0.16 0.00 1.31 0.00 0.00 55.95 58.21 1g9l s SER 137 Cb -0.26 -0.46 0.08 0.00 0.21 0.00 0.00 66.02 65.60 1g9l s SER 137 CO 0.31 -3.36 1.81 0.00 0.41 0.00 0.00 173.24 172.41 1g9l n ALA 138 N -4.21 4.12 -0.03 1.44 0.00 -1.26 -4.48 120.51 116.09 1g9l n ALA 138 Ca 0.15 -3.94 -0.07 0.00 0.00 0.00 0.00 53.44 49.59 1g9l n ALA 138 Cb 0.59 -3.48 -0.02 0.00 0.00 0.00 0.00 19.45 16.54 1g9l n ALA 138 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1g9l n THR 139 N 5.71 0.55 -3.45 0.00 5.66 -1.26 -4.88 114.28 116.62 1g9l n THR 139 Ca 0.47 -0.03 -0.41 0.00 -3.05 0.00 0.00 64.05 61.04 1g9l n THR 139 Cb 0.44 -1.63 -0.03 0.00 -1.55 0.00 0.00 70.33 67.56 1g9l n THR 139 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1g9l n GLY 140 N 2.62 4.26 3.74 1.09 0.00 -1.26 -5.04 105.19 110.60 1g9l n GLY 140 Ca -0.13 -2.60 -0.37 0.00 0.00 0.00 0.00 46.02 42.92 1g9l n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g9l s VAL 141 N -1.48 5.23 -0.49 1.61 0.11 -1.26 -5.00 120.40 119.12 1g9l s VAL 141 Ca 0.30 0.74 -0.29 0.00 -2.93 0.00 0.00 61.98 59.80 1g9l s VAL 141 Cb -0.07 -3.71 -0.10 0.00 -1.53 0.00 0.00 36.38 30.97 1g9l s VAL 141 CO -0.09 0.39 2.39 -2.65 -3.33 0.00 0.00 175.10 171.81 1g9l n PRO 142 N 3.41 1.04 -3.52 1.54 -0.02 -1.26 -4.92 135.00 131.28 1g9l n PRO 142 Ca -0.10 0.14 -0.42 0.00 -2.02 0.00 0.00 63.50 61.10 1g9l n PRO 142 Cb 0.52 -2.93 -0.10 0.00 -0.02 0.00 0.00 33.50 30.97 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 10.17 4.86 -2.49 3.45 -4.23 -1.26 -5.30 115.64 120.83 1g9l s THR 143 Ca 1.07 -0.92 0.28 0.00 -1.18 0.00 0.00 61.69 60.94 1g9l s THR 143 Cb -0.50 -3.78 0.55 0.00 1.34 0.00 0.00 72.50 70.11 1g9l s THR 143 CO 0.35 -0.36 1.75 1.33 -0.54 0.00 0.00 174.62 177.15