#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 0.41 -6.66 1.61 0.13 -2.10 -3.44 132.00 121.95 1g9l h PRO 2 Ca 0.00 -0.23 -0.51 0.00 -0.87 0.00 0.00 66.00 64.39 1g9l h PRO 2 Cb 0.00 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.13 1g9l h PRO 2 CO 0.00 0.80 0.02 -0.51 -0.23 0.00 0.00 178.00 178.08 1g9l s LEU 3 N -8.30 4.03 0.00 1.56 1.43 -1.26 -5.09 118.68 111.05 1g9l s LEU 3 Ca -0.06 1.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.13 1g9l s LEU 3 Cb 0.12 -3.90 0.00 0.00 0.03 0.00 0.00 46.19 42.44 1g9l s LEU 3 CO 0.81 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.78 1g9l n GLY 4 N -0.61 0.73 3.27 -3.19 0.00 -1.26 -5.01 105.19 99.13 1g9l n GLY 4 Ca 0.02 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1g9l n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1g9l s SER 5 N -1.00 5.80 -0.39 1.61 0.15 -1.26 -4.99 113.70 113.62 1g9l s SER 5 Ca 0.00 -1.63 0.03 0.00 0.70 0.00 0.00 55.95 55.05 1g9l s SER 5 Cb 0.00 -2.05 0.16 0.00 -1.71 0.00 0.00 66.02 62.42 1g9l s SER 5 CO 0.00 -0.64 0.37 0.00 1.20 0.00 0.00 173.24 174.18 1g9l s ALA 6 N 1.46 0.10 0.00 5.45 0.00 -1.26 -5.04 121.76 122.48 1g9l s ALA 6 Ca 0.04 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.53 1g9l s ALA 6 Cb -0.25 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 20.94 1g9l s ALA 6 CO 0.02 -2.11 0.00 0.00 0.00 0.00 0.00 175.76 173.67 1g9l n ALA 7 N 3.70 0.00 -3.22 0.00 0.00 -1.26 -4.97 120.51 114.75 1g9l n ALA 7 Ca 0.17 -0.05 -0.23 0.00 0.00 0.00 0.00 53.44 53.33 1g9l n ALA 7 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.57 -1.04 -0.62 0.00 0.00 -1.26 -4.85 120.51 111.17 1g9l n ALA 8 Ca 0.00 0.20 0.01 0.00 0.00 0.00 0.00 53.44 53.65 1g9l n ALA 8 Cb 0.00 -3.49 0.30 0.00 0.00 0.00 0.00 19.45 16.27 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 -3.63 3.92 -0.12 0.00 0.00 -1.26 -4.33 120.51 115.09 1g9l n ALA 9 Ca -0.06 -1.74 -0.24 0.00 0.00 0.00 0.00 53.44 51.40 1g9l n ALA 9 Cb 0.58 -1.15 -0.11 0.00 0.00 0.00 0.00 19.45 18.77 1g9l n ALA 9 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1g9l n THR 10 N 0.27 1.53 -2.22 0.00 -2.24 -1.26 -4.66 114.28 105.71 1g9l n THR 10 Ca 0.28 -0.14 -0.41 0.00 -2.27 0.00 0.00 64.05 61.51 1g9l n THR 10 Cb 1.12 -1.99 -0.01 0.00 -2.10 0.00 0.00 70.33 67.35 1g9l n THR 10 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1g9l n PRO 11 N -4.37 2.86 0.00 -0.78 -0.04 -1.26 -4.65 135.00 126.75 1g9l n PRO 11 Ca -0.39 -2.94 0.13 0.00 -0.04 0.00 0.00 63.50 60.26 1g9l n PRO 11 Cb 0.75 -3.43 0.43 0.00 -0.04 0.00 0.00 33.50 31.20 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 8.30 2.94 -2.88 0.55 0.00 -1.26 -4.88 120.51 123.28 1g9l n ALA 12 Ca 0.49 -0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.22 1g9l n ALA 12 Cb 0.44 -1.16 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.38 5.18 -0.01 0.00 0.11 -1.26 -5.06 120.40 116.97 1g9l s VAL 13 Ca 0.28 -0.42 -0.30 0.00 -2.93 0.00 0.00 61.98 58.61 1g9l s VAL 13 Cb 0.20 -3.49 -0.05 0.00 -1.53 0.00 0.00 36.38 31.50 1g9l s VAL 13 CO 0.47 0.19 1.46 -0.60 -3.33 0.00 0.00 175.10 173.29 1g9l s ARG 14 N -2.31 4.25 0.07 1.54 6.06 -1.26 -5.01 118.95 122.29 1g9l s ARG 14 Ca 0.31 2.02 0.01 0.00 -2.50 0.00 0.00 55.73 55.57 1g9l s ARG 14 Cb -0.13 -3.65 -0.04 0.00 0.06 0.00 0.00 34.95 31.19 1g9l s ARG 14 CO 0.24 -0.64 0.19 -0.08 -2.50 0.00 0.00 175.30 172.51 1g9l s THR 15 N 2.76 5.25 -0.25 4.11 -1.32 -1.26 -5.05 115.64 119.87 1g9l s THR 15 Ca 0.66 -0.47 -0.14 0.00 -1.21 0.00 0.00 61.69 60.53 1g9l s THR 15 Cb -0.32 -3.56 -0.11 0.00 -1.51 0.00 0.00 72.50 67.00 1g9l s THR 15 CO 0.27 0.12 -0.34 0.52 -2.21 0.00 0.00 174.62 172.98 1g9l n VAL 16 N 0.27 1.44 -0.35 5.08 0.31 -1.26 -4.58 118.33 119.24 1g9l n VAL 16 Ca -0.06 -0.30 0.05 0.00 -0.01 0.00 0.00 64.34 64.02 1g9l n VAL 16 Cb 0.51 -1.92 0.22 0.00 -0.91 0.00 0.00 33.84 31.74 1g9l n VAL 16 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1g9l h PRO 17 N -0.94 1.05 -5.52 5.55 0.11 -2.05 -3.34 132.00 126.86 1g9l h PRO 17 Ca -0.58 -0.06 -0.64 0.00 0.11 0.00 0.00 66.00 64.83 1g9l h PRO 17 Cb 1.50 -0.24 -0.14 0.00 0.11 0.00 0.00 31.00 32.23 1g9l h PRO 17 CO -0.35 0.69 0.95 -0.65 -0.21 0.00 0.00 178.00 178.44 1g9l s GLN 18 N -5.97 3.45 0.72 1.05 -0.21 -1.26 -5.01 119.66 112.42 1g9l s GLN 18 Ca -0.12 -1.25 -0.11 0.00 0.02 0.00 0.00 55.36 53.90 1g9l s GLN 18 Cb 0.21 -4.80 0.02 0.00 1.00 0.00 0.00 33.01 29.44 1g9l s GLN 18 CO 0.81 -1.93 1.07 -0.47 -2.12 0.00 0.00 175.29 172.65 1g9l s TYR 19 N 3.86 3.07 -0.27 0.91 5.04 -1.26 -4.83 117.35 123.87 1g9l s TYR 19 Ca 0.34 1.30 -0.29 0.00 -2.44 0.00 0.00 57.07 55.98 1g9l s TYR 19 Cb -0.07 -2.96 -0.01 0.00 0.35 0.00 0.00 41.96 39.28 1g9l s TYR 19 CO -0.03 -1.37 1.34 0.21 -1.34 0.00 0.00 175.55 174.36 1g9l s LYS 20 N -5.11 3.95 0.00 4.97 2.47 -1.26 -4.87 119.74 119.89 1g9l s LYS 20 Ca 0.59 1.37 0.29 0.00 -1.56 0.00 0.00 55.97 56.66 1g9l s LYS 20 Cb -0.14 -3.88 1.69 0.00 -1.46 0.00 0.00 37.83 34.04 1g9l s LYS 20 CO 0.54 -1.08 2.05 0.66 0.16 0.00 0.00 175.35 177.68 1g9l n TYR 21 N 7.58 0.00 -1.48 4.03 4.01 -1.26 -3.88 117.16 126.15 1g9l n TYR 21 Ca 0.15 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.61 1g9l n TYR 21 Cb 0.46 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.45 1g9l n TYR 21 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1g9l n ALA 22 N -1.02 6.30 -0.75 -0.72 0.00 -1.26 -4.99 120.51 118.07 1g9l n ALA 22 Ca 0.21 -3.09 -0.29 0.00 0.00 0.00 0.00 53.44 50.27 1g9l n ALA 22 Cb 0.11 -2.01 0.20 0.00 0.00 0.00 0.00 19.45 17.75 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 -2.25 0.46 -0.80 0.00 0.00 -1.25 -4.93 121.76 112.99 1g9l s ALA 23 Ca 0.55 0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.52 1g9l s ALA 23 Cb 0.38 -3.27 0.33 0.00 0.00 0.00 0.00 23.12 20.55 1g9l s ALA 23 CO -0.22 -3.24 2.10 0.41 0.00 0.00 0.00 175.76 174.81 1g9l n GLY 24 N 0.15 5.41 2.72 0.00 0.00 -1.26 -4.81 105.19 107.41 1g9l n GLY 24 Ca 0.06 -2.41 -0.41 0.00 0.00 0.00 0.00 46.02 43.25 1g9l n GLY 24 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1g9l n VAL 25 N -0.41 5.32 -0.50 1.61 0.24 -1.26 -4.78 118.33 118.55 1g9l n VAL 25 Ca 0.54 -5.16 -0.11 0.00 -2.04 0.00 0.00 64.34 57.56 1g9l n VAL 25 Cb 0.28 -1.99 0.04 0.00 -1.47 0.00 0.00 33.84 30.69 1g9l n VAL 25 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1g9l n ARG 26 N 1.59 1.54 -0.09 7.34 3.00 -1.26 -4.27 116.66 124.51 1g9l n ARG 26 Ca 0.45 -1.10 -0.17 0.00 -0.01 0.00 0.00 57.85 57.02 1g9l n ARG 26 Cb 0.29 -1.43 -0.10 0.00 0.00 0.00 0.00 32.46 31.22 1g9l n ARG 26 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 1g9l h ASN 27 N 1.07 0.00 -1.13 0.55 -0.73 -2.02 -3.42 115.58 109.90 1g9l h ASN 27 Ca 0.21 -0.52 -0.66 0.00 1.87 0.00 0.00 56.30 57.20 1g9l h ASN 27 Cb 1.13 0.00 -0.10 0.00 0.27 0.00 0.00 38.32 39.62 1g9l h ASN 27 CO 0.50 1.24 1.83 -2.16 -0.37 0.00 0.00 177.43 178.47 1g9l s PRO 28 N -2.27 3.84 -0.66 6.67 0.04 -1.26 -4.94 135.00 136.42 1g9l s PRO 28 Ca -0.23 -1.74 -0.20 0.00 0.04 0.00 0.00 61.00 58.86 1g9l s PRO 28 Cb 0.03 -5.41 0.09 0.00 0.04 0.00 0.00 34.50 29.26 1g9l s PRO 28 CO 0.53 -2.18 0.86 -1.14 0.04 0.00 0.00 177.00 175.11 1g9l s GLN 29 N 4.18 3.14 -0.03 4.56 -0.44 -1.26 -4.87 119.66 124.94 1g9l s GLN 29 Ca 0.49 -1.18 -0.02 0.00 -2.50 0.00 0.00 55.36 52.15 1g9l s GLN 29 Cb 0.02 -4.32 -0.01 0.00 -1.64 0.00 0.00 33.01 27.06 1g9l s GLN 29 CO 0.00 -1.68 -0.04 1.04 0.50 0.00 0.00 175.29 175.11 1g9l n GLN 30 N 6.89 0.08 -2.93 1.67 6.02 -1.26 -4.98 117.38 122.87 1g9l n GLN 30 Ca -0.03 0.14 -0.21 0.00 -0.01 0.00 0.00 57.00 56.88 1g9l n GLN 30 Cb 0.44 -0.75 0.01 0.00 1.02 0.00 0.00 30.24 30.97 1g9l n GLN 30 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1g9l n HIS 31 N -2.74 -1.72 -3.05 1.08 -0.00 -1.26 -4.90 115.22 102.64 1g9l n HIS 31 Ca -0.02 0.37 -0.44 0.00 0.46 0.00 0.00 57.72 58.09 1g9l n HIS 31 Cb 0.07 -3.86 0.00 0.00 -0.12 0.00 0.00 29.99 26.08 1g9l n HIS 31 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1g9l n LEU 32 N -3.66 5.92 -4.21 0.27 4.32 -1.26 -4.96 117.00 113.42 1g9l n LEU 32 Ca -0.12 -4.96 -0.40 0.00 -0.02 0.00 0.00 56.01 50.51 1g9l n LEU 32 Cb 0.61 -1.43 -0.09 0.00 -1.62 0.00 0.00 43.42 40.89 1g9l n LEU 32 CO 0.42 1.37 -0.05 0.20 -1.22 0.00 0.00 177.39 178.11 1g9l s ASN 33 N 0.48 5.64 0.72 -1.43 0.01 -1.26 -5.08 114.94 114.02 1g9l s ASN 33 Ca 0.34 -1.88 -0.06 0.00 -0.71 0.00 0.00 52.86 50.54 1g9l s ASN 33 Cb -0.02 -1.99 0.08 0.00 0.41 0.00 0.00 41.25 39.74 1g9l s ASN 33 CO 0.00 -0.66 1.03 0.00 -1.51 0.00 0.00 177.10 175.96 1g9l s ALA 34 N 1.34 3.17 -0.23 0.60 0.00 -1.26 -5.06 121.76 120.32 1g9l s ALA 34 Ca 0.06 -1.06 -0.19 0.00 0.00 0.00 0.00 51.96 50.77 1g9l s ALA 34 Cb -0.25 -2.52 -0.16 0.00 0.00 0.00 0.00 23.12 20.18 1g9l s ALA 34 CO -0.01 -1.40 -0.00 0.94 0.00 0.00 0.00 175.76 175.29 1g9l n GLN 35 N -2.96 0.57 -2.57 0.00 -0.06 -1.26 -4.98 117.38 106.12 1g9l n GLN 35 Ca 0.09 0.46 -0.22 0.00 -2.00 0.00 0.00 57.00 55.33 1g9l n GLN 35 Cb 0.60 -1.65 0.07 0.00 -4.06 0.00 0.00 30.24 25.20 1g9l n GLN 35 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1g9l s PRO 36 N -2.42 2.18 -0.35 3.69 0.04 -1.26 -5.11 135.00 131.78 1g9l s PRO 36 Ca -0.32 -0.85 -0.28 0.00 0.04 0.00 0.00 61.00 59.59 1g9l s PRO 36 Cb 0.09 -2.40 0.02 0.00 0.04 0.00 0.00 34.50 32.25 1g9l s PRO 36 CO 0.55 -1.04 1.03 -0.65 0.04 0.00 0.00 177.00 176.93 1g9l s GLN 37 N -4.95 3.98 0.00 4.56 -0.21 -1.26 -4.88 119.66 116.89 1g9l s GLN 37 Ca 0.61 0.88 0.23 0.00 0.02 0.00 0.00 55.36 57.10 1g9l s GLN 37 Cb -0.09 -3.77 0.14 0.00 1.00 0.00 0.00 33.01 30.30 1g9l s GLN 37 CO 0.41 -0.95 1.19 0.28 -2.12 0.00 0.00 175.29 174.11 1g9l n VAL 38 N 5.97 0.00 -3.51 1.09 0.31 -1.26 -4.93 118.33 115.99 1g9l n VAL 38 Ca 0.10 -0.46 -0.38 0.00 -0.01 0.00 0.00 64.34 63.60 1g9l n VAL 38 Cb 0.48 1.43 -0.06 0.00 -0.91 0.00 0.00 33.84 34.78 1g9l n VAL 38 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1g9l s THR 39 N -2.00 5.14 -0.16 2.52 2.01 -1.26 -4.97 115.64 116.91 1g9l s THR 39 Ca 0.25 0.75 0.18 0.00 0.31 0.00 0.00 61.69 63.18 1g9l s THR 39 Cb 0.19 -3.69 -0.26 0.00 0.01 0.00 0.00 72.50 68.75 1g9l s THR 39 CO 0.34 0.52 0.45 0.80 -0.69 0.00 0.00 174.62 176.04 1g9l n MET 40 N 2.37 0.66 -1.09 4.92 1.56 -1.26 -5.00 117.12 119.28 1g9l n MET 40 Ca -0.13 -0.14 -0.32 0.00 -0.27 0.00 0.00 57.70 56.84 1g9l n MET 40 Cb 0.52 -1.41 0.12 0.00 2.15 0.00 0.00 33.22 34.60 1g9l n MET 40 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1g9l s GLN 41 N -3.15 1.75 -0.02 2.12 -1.52 -1.26 -4.65 119.66 112.93 1g9l s GLN 41 Ca -0.04 1.46 -0.02 0.00 -1.95 0.00 0.00 55.36 54.80 1g9l s GLN 41 Cb 0.12 -1.82 0.01 0.00 -0.22 0.00 0.00 33.01 31.10 1g9l s GLN 41 CO 0.74 -2.07 0.04 0.94 -0.25 0.00 0.00 175.29 174.69 1g9l n GLN 42 N -3.59 -4.84 -1.46 2.91 7.27 -1.26 -4.95 117.38 111.46 1g9l n GLN 42 Ca 0.11 3.56 -0.33 0.00 0.07 0.00 0.00 57.00 60.41 1g9l n GLN 42 Cb 0.52 -4.58 0.08 0.00 2.41 0.00 0.00 30.24 28.68 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 -0.70 2.26 0.60 3.69 0.04 -1.26 -5.05 135.00 134.59 1g9l s PRO 43 Ca -0.05 1.56 -0.05 0.00 0.04 0.00 0.00 61.00 62.50 1g9l s PRO 43 Cb 0.00 -1.87 0.13 0.00 0.04 0.00 0.00 34.50 32.80 1g9l s PRO 43 CO 0.13 -1.70 0.82 0.00 0.04 0.00 0.00 177.00 176.30 1g9l n ALA 44 N -2.84 -0.35 -2.75 8.56 0.00 -1.26 -5.07 120.51 116.80 1g9l n ALA 44 Ca 0.12 -1.36 -0.35 0.00 0.00 0.00 0.00 53.44 51.84 1g9l n ALA 44 Cb 0.51 0.12 -0.09 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.55 5.20 -0.08 0.00 -7.23 -1.26 -4.96 120.40 109.53 1g9l s VAL 45 Ca 0.51 0.12 0.11 0.00 -1.81 0.00 0.00 61.98 60.91 1g9l s VAL 45 Cb -0.02 -3.38 -0.17 0.00 0.56 0.00 0.00 36.38 33.37 1g9l s VAL 45 CO 0.34 0.42 0.13 1.41 -0.31 0.00 0.00 175.10 177.10 1g9l n HIS 46 N 3.74 0.00 -3.94 2.82 8.25 -1.26 -4.97 115.22 119.87 1g9l n HIS 46 Ca -0.16 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 56.95 1g9l n HIS 46 Cb 0.52 -0.47 -0.09 0.00 1.12 0.00 0.00 29.99 31.07 1g9l n HIS 46 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1g9l s VAL 47 N -2.51 5.04 -0.13 1.59 1.01 -1.26 -4.99 120.40 119.15 1g9l s VAL 47 Ca -0.05 0.05 0.16 0.00 0.00 0.00 0.00 61.98 62.14 1g9l s VAL 47 Cb 0.05 -3.26 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 1g9l s VAL 47 CO 0.50 0.49 1.00 1.56 0.00 0.00 0.00 175.10 178.65 1g9l h GLN 48 N 6.28 0.00 -5.17 2.72 4.20 -2.05 -3.42 115.11 117.67 1g9l h GLN 48 Ca -0.42 0.00 -0.68 0.00 0.06 0.00 0.00 58.65 57.61 1g9l h GLN 48 Cb 1.17 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.79 1g9l h GLN 48 CO 0.69 0.35 0.97 0.20 -0.67 0.00 0.00 178.83 180.36 1g9l s GLY 49 N -4.69 1.86 -0.18 3.46 0.00 -1.26 -5.00 107.32 101.51 1g9l s GLY 49 Ca -0.01 -2.73 -0.10 0.00 0.00 0.00 0.00 44.72 41.88 1g9l s GLY 49 CO 0.79 2.11 0.16 1.20 0.00 0.00 0.00 173.10 177.37 1g9l s GLN 50 N 2.96 4.12 0.07 2.90 -1.52 -1.26 -5.08 119.66 121.84 1g9l s GLN 50 Ca 0.35 -0.15 -0.24 0.00 -1.95 0.00 0.00 55.36 53.38 1g9l s GLN 50 Cb -0.04 -3.39 -0.06 0.00 -0.22 0.00 0.00 33.01 29.30 1g9l s GLN 50 CO -0.09 0.35 0.72 -1.21 -0.25 0.00 0.00 175.29 174.81 1g9l s GLU 51 N 0.21 4.46 0.00 2.91 2.02 -1.26 -5.08 118.70 121.96 1g9l s GLU 51 Ca 0.10 1.00 0.00 0.00 0.02 0.00 0.00 54.97 56.10 1g9l s GLU 51 Cb -0.12 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 30.79 1g9l s GLU 51 CO -0.00 0.39 0.00 -0.35 0.02 0.00 0.00 175.26 175.32 1g9l n PRO 52 N 2.43 0.63 -3.20 0.39 -0.04 -1.26 -5.07 135.00 128.87 1g9l n PRO 52 Ca -0.05 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.12 1g9l n PRO 52 Cb 0.50 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.93 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 3.99 0.00 1.53 2.96 -1.26 -4.91 118.68 120.99 1g9l s LEU 53 Ca 0.00 0.84 0.00 0.00 -0.22 0.00 0.00 54.13 54.75 1g9l s LEU 53 Cb 0.00 -3.67 0.00 0.00 0.50 0.00 0.00 46.19 43.02 1g9l s LEU 53 CO 0.00 -0.25 0.00 0.35 -1.32 0.00 0.00 176.35 175.13 1g9l n THR 54 N -1.04 0.00 0.01 3.68 -2.24 -1.26 -4.91 114.28 108.52 1g9l n THR 54 Ca -0.01 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.95 1g9l n THR 54 Cb 0.54 0.00 0.64 0.00 -2.10 0.00 0.00 70.33 69.41 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 2.34 -0.01 6.98 0.00 -1.62 -0.81 119.26 128.14 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 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1g9l h ALA 55 CO 0.00 -0.47 -0.00 0.77 0.00 0.00 0.00 179.25 179.55 1g9l h SER 56 N 0.09 0.01 -1.00 0.00 0.02 -1.87 -0.50 113.55 110.30 1g9l h SER 56 Ca 0.23 -0.36 0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1g9l h SER 56 Cb 0.80 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.28 1g9l h SER 56 CO -0.02 0.37 0.66 0.24 -1.14 0.00 0.00 176.83 176.94 1g9l h MET 57 N -0.35 1.27 -0.38 3.45 2.07 -1.64 -2.03 114.93 117.33 1g9l h MET 57 Ca 0.00 -0.08 -0.02 0.00 -2.07 0.00 0.00 59.70 57.54 1g9l h MET 57 Cb 0.36 -0.29 -0.02 0.00 -1.87 0.00 0.00 31.60 29.79 1g9l h MET 57 CO 0.00 0.84 0.17 -0.07 1.07 0.00 0.00 176.91 178.92 1g9l h LEU 58 N 1.31 0.50 -1.21 1.22 3.38 -1.09 -1.64 115.31 117.79 1g9l h LEU 58 Ca 0.38 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1g9l h LEU 58 Cb -0.07 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1g9l h LEU 58 CO -0.10 0.51 0.00 0.00 0.09 0.00 0.00 178.44 178.93 1g9l h ALA 59 N 1.02 1.00 0.00 1.53 0.00 -0.47 -0.87 119.26 121.47 1g9l h ALA 59 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1g9l h ALA 59 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1g9l h ALA 59 CO -0.01 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.69 1g9l n SER 60 N -2.30 0.05 -3.88 0.00 2.88 -0.62 -4.63 113.62 105.13 1g9l n SER 60 Ca -0.00 0.51 -0.22 0.00 -1.33 0.00 0.00 58.87 57.82 1g9l n SER 60 Cb 0.12 -0.52 -0.17 0.00 -0.75 0.00 0.00 64.21 62.89 1g9l n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g9l s ALA 61 N -3.01 0.86 0.75 -1.46 0.00 -0.33 -5.11 121.76 113.45 1g9l s ALA 61 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1g9l s ALA 61 Cb 0.14 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1g9l s ALA 61 CO 0.41 -0.18 0.00 -2.30 0.00 0.00 0.00 175.76 173.69 1g9l n PRO 62 N 4.46 0.10 0.17 0.00 -0.02 -1.26 -3.76 135.00 134.69 1g9l n PRO 62 Ca -0.18 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.32 1g9l n PRO 62 Cb 0.51 0.00 0.10 0.00 -0.02 0.00 0.00 33.50 34.08 1g9l n PRO 62 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1g9l h PRO 63 N 0.00 0.00 0.00 0.52 0.11 -1.97 -2.68 132.00 127.98 1g9l h PRO 63 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1g9l h PRO 63 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1g9l h PRO 63 CO 0.00 0.00 0.00 0.94 -0.21 0.00 0.00 178.00 178.73 1g9l n GLN 64 N -1.86 0.00 0.00 1.05 7.27 -1.26 -3.82 117.38 118.76 1g9l n GLN 64 Ca -0.00 0.34 0.08 0.00 0.07 0.00 0.00 57.00 57.49 1g9l n GLN 64 Cb 0.65 -0.84 0.05 0.00 2.41 0.00 0.00 30.24 32.50 1g9l n GLN 64 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1g9l n GLU 65 N -0.68 1.30 -0.20 3.69 -0.58 -1.15 -4.49 120.64 118.53 1g9l n GLU 65 Ca 0.00 -1.25 0.12 0.00 -0.42 0.00 0.00 57.16 55.61 1g9l n GLU 65 Cb 0.00 -1.28 0.43 0.00 -0.57 0.00 0.00 31.44 30.02 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 2.66 0.56 -0.20 3.49 -0.00 -1.57 0.21 115.11 120.26 1g9l h GLN 66 Ca 0.00 -0.03 -0.10 0.00 -0.00 0.00 0.00 58.65 58.51 1g9l h GLN 66 Cb 0.60 -0.13 -0.06 0.00 0.00 0.00 0.00 27.48 27.89 1g9l h GLN 66 CO 0.00 0.37 -0.26 1.63 0.00 0.00 0.00 178.83 180.57 1g9l n LYS 67 N -4.51 1.73 0.10 1.69 5.02 -1.26 -4.46 118.16 116.48 1g9l n LYS 67 Ca 0.14 -3.24 0.00 0.00 -2.02 0.00 0.00 58.31 53.19 1g9l n LYS 67 Cb 0.43 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1g9l n LYS 67 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1g9l n GLN 68 N -1.12 0.00 0.00 1.97 1.13 -0.34 -4.85 117.38 114.16 1g9l n GLN 68 Ca 0.27 0.00 0.10 0.00 -1.94 0.00 0.00 57.00 55.44 1g9l n GLN 68 Cb 0.89 -0.06 0.48 0.00 0.11 0.00 0.00 30.24 31.66 1g9l n GLN 68 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1g9l n MET 69 N -3.26 0.11 -0.35 -1.09 0.00 0.58 -2.79 117.12 110.32 1g9l n MET 69 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 57.70 57.81 1g9l n MET 69 Cb 0.02 -1.50 0.13 0.00 0.00 0.00 0.00 33.22 31.87 1g9l n MET 69 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 175.97 177.34 1g9l h LEU 70 N 0.00 1.01 -2.84 3.17 8.10 -1.78 -2.89 115.31 120.09 1g9l h LEU 70 Ca 0.00 -0.01 -0.11 0.00 0.11 0.00 0.00 57.88 57.87 1g9l h LEU 70 Cb 0.30 -0.23 -0.24 0.00 -0.44 0.00 0.00 40.66 40.06 1g9l h LEU 70 CO 0.00 0.69 -0.82 0.61 -4.11 0.00 0.00 178.44 174.81 1g9l n GLY 71 N -1.35 1.80 0.00 0.17 0.00 -1.22 -4.58 105.19 100.00 1g9l n GLY 71 Ca 0.13 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.06 0.00 0.00 1.61 1.02 -1.12 -3.78 120.64 118.43 1g9l n GLU 72 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1g9l n GLU 72 Cb 0.98 -0.45 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 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 0.00 2.75 0.25 3.49 0.00 -1.10 -4.71 116.66 117.34 1g9l n ARG 73 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.99 1g9l n ARG 73 Cb 0.24 -0.75 0.49 0.00 0.00 0.00 0.00 32.46 32.45 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 -0.91 6.15 3.38 -1.79 -3.35 115.31 118.79 1g9l h LEU 74 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1g9l h LEU 74 Cb 0.13 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.75 1g9l h LEU 74 CO 0.00 0.08 -0.45 0.33 0.09 0.00 0.00 178.44 178.49 1g9l n PHE 75 N -3.18 -0.19 0.28 1.13 7.35 -1.26 0.96 117.46 122.55 1g9l n PHE 75 Ca 0.01 1.14 0.17 0.00 -0.76 0.00 0.00 57.45 58.01 1g9l n PHE 75 Cb 0.40 -0.70 0.70 0.00 0.35 0.00 0.00 39.48 40.23 1g9l n PHE 75 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1g9l h PRO 76 N 0.00 0.00 0.00 -7.13 0.13 -1.94 -2.76 132.00 120.30 1g9l h PRO 76 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1g9l h PRO 76 Cb 0.46 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1g9l h PRO 76 CO -0.88 0.01 -0.85 -0.07 -0.23 0.00 0.00 178.00 175.98 1g9l h LEU 77 N 0.00 0.00 -0.22 1.56 3.38 0.40 -3.33 115.31 117.10 1g9l h LEU 77 Ca -0.00 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.73 1g9l h LEU 77 Cb 0.50 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.26 1g9l h LEU 77 CO 0.00 0.01 -0.80 0.40 0.09 0.00 0.00 178.44 178.14 1g9l h ILE 78 N 0.00 1.31 0.00 1.22 1.08 0.28 -2.71 117.51 118.70 1g9l h ILE 78 Ca 0.00 -2.08 0.00 0.00 -0.39 0.00 0.00 64.86 62.39 1g9l h ILE 78 Cb 0.97 2.08 0.00 0.00 -3.07 0.00 0.00 36.82 36.81 1g9l h ILE 78 CO 0.00 0.65 0.25 1.56 -0.69 0.00 0.00 178.15 179.92 1g9l h GLN 79 N 0.43 0.00 0.21 2.37 4.20 -1.66 0.45 115.11 121.11 1g9l h GLN 79 Ca -0.06 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.33 1g9l h GLN 79 Cb 1.42 0.00 0.03 0.00 0.30 0.00 0.00 27.48 29.22 1g9l h GLN 79 CO 0.16 0.00 -1.46 0.00 -0.67 0.00 0.00 178.83 176.86 1g9l h ALA 80 N 1.38 -0.04 -0.09 3.87 0.00 -1.65 -3.20 119.26 119.53 1g9l h ALA 80 Ca 0.00 -0.91 -0.08 0.00 0.00 0.00 0.00 54.91 53.92 1g9l h ALA 80 Cb 0.51 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1g9l h ALA 80 CO 0.00 0.82 -0.26 0.52 0.00 0.00 0.00 179.25 180.34 1g9l h MET 81 N 0.12 0.33 -6.23 0.00 2.86 -0.20 -3.46 114.93 108.36 1g9l h MET 81 Ca -0.24 -0.24 -0.56 0.00 -2.06 0.00 0.00 59.70 56.61 1g9l h MET 81 Cb 2.11 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 33.72 1g9l h MET 81 CO 0.24 0.85 -0.63 -1.01 1.06 0.00 0.00 176.91 177.42 1g9l s HIS 82 N -3.84 2.76 -0.80 -0.22 4.02 -0.69 -5.01 115.29 111.50 1g9l s HIS 82 Ca -0.14 -0.20 -0.26 0.00 1.02 0.00 0.00 55.06 55.48 1g9l s HIS 82 Cb 0.04 -1.25 -0.22 0.00 -1.02 0.00 0.00 32.58 30.14 1g9l s HIS 82 CO 0.77 0.59 1.91 -0.35 1.02 0.00 0.00 174.74 178.68 1g9l n PRO 83 N -0.81 0.73 -4.05 8.40 -0.04 -1.26 -3.91 135.00 134.06 1g9l n PRO 83 Ca -0.07 -1.77 -0.34 0.00 -0.04 0.00 0.00 63.50 61.28 1g9l n PRO 83 Cb 0.58 -3.37 -0.03 0.00 -0.04 0.00 0.00 33.50 30.65 1g9l n PRO 83 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1g9l n THR 84 N 7.72 -0.91 0.90 0.52 -2.24 -1.21 -4.81 114.28 114.26 1g9l n THR 84 Ca 0.45 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.34 1g9l n THR 84 Cb 0.45 -1.57 0.30 0.00 -2.10 0.00 0.00 70.33 67.41 1g9l n THR 84 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1g9l n LEU 85 N -4.19 2.37 -3.38 3.22 7.99 -1.25 -4.64 117.00 117.12 1g9l n LEU 85 Ca 0.07 -0.99 -0.35 0.00 -0.01 0.00 0.00 56.01 54.73 1g9l n LEU 85 Cb 0.49 -0.15 -0.02 0.00 -0.11 0.00 0.00 43.42 43.63 1g9l n LEU 85 CO 0.78 0.49 2.84 0.00 -1.51 0.00 0.00 177.39 180.00 1g9l n ALA 86 N 0.79 5.93 1.03 -1.18 0.00 -1.26 -4.28 120.51 121.55 1g9l n ALA 86 Ca 0.17 -3.13 0.11 0.00 0.00 0.00 0.00 53.44 50.59 1g9l n ALA 86 Cb 0.44 -3.33 0.05 0.00 0.00 0.00 0.00 19.45 16.62 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 3.83 -0.75 0.77 0.00 0.00 -1.26 -4.61 105.19 103.17 1g9l n GLY 87 Ca 0.61 -0.53 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.02 0.03 0.00 1.61 3.00 -1.26 -5.05 118.16 115.47 1g9l n LYS 88 Ca 0.07 -0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 1g9l n LYS 88 Cb 0.37 0.42 0.00 0.00 0.00 0.00 0.00 35.03 35.81 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 -0.04 0.00 -0.36 3.15 5.41 -1.26 -3.31 119.36 122.95 1g9l n ILE 89 Ca -0.03 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.82 1g9l n ILE 89 Cb 0.35 -0.00 0.29 0.00 -0.71 0.00 0.00 39.64 39.56 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 0.80 -0.46 1.39 2.02 -1.92 0.64 112.91 115.38 1g9l h THR 90 Ca 0.00 -0.30 0.13 0.00 0.77 0.00 0.00 66.41 67.02 1g9l h THR 90 Cb 0.00 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.25 1g9l h THR 90 CO 0.00 0.16 0.34 1.23 0.37 0.00 0.00 175.52 177.62 1g9l h GLY 91 N 0.87 0.00 1.71 2.16 0.00 -1.79 0.39 103.07 106.42 1g9l h GLY 91 Ca 0.54 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.66 1g9l h GLY 91 CO -0.33 0.00 -0.95 1.98 0.00 0.00 0.00 176.54 177.24 1g9l h MET 92 N 0.00 0.25 0.00 4.80 -1.53 0.26 -3.17 114.93 115.53 1g9l h MET 92 Ca 0.22 -0.29 0.00 0.00 -3.44 0.00 0.00 59.70 56.19 1g9l h MET 92 Cb 0.90 0.09 0.00 0.00 -0.55 0.00 0.00 31.60 32.04 1g9l h MET 92 CO -0.00 1.03 0.01 1.28 0.14 0.00 0.00 176.91 179.36 1g9l n LEU 93 N -3.65 0.00 -1.28 3.39 7.99 0.14 0.81 117.00 124.40 1g9l n LEU 93 Ca -0.05 0.25 -0.04 0.00 -0.01 0.00 0.00 56.01 56.17 1g9l n LEU 93 Cb 0.85 -0.25 0.22 0.00 -0.11 0.00 0.00 43.42 44.12 1g9l n LEU 93 CO 0.49 -0.25 0.79 0.18 -1.51 0.00 0.00 177.39 177.09 1g9l n LEU 94 N -1.25 4.50 0.00 2.23 7.99 -1.18 -4.05 117.00 125.23 1g9l n LEU 94 Ca 0.00 -3.56 0.00 0.00 -0.01 0.00 0.00 56.01 52.44 1g9l n LEU 94 Cb 0.01 -0.65 0.00 0.00 -0.11 0.00 0.00 43.42 42.67 1g9l n LEU 94 CO 0.00 1.08 0.00 -1.84 -1.51 0.00 0.00 177.39 175.12 1g9l n GLU 95 N -0.95 0.00 0.00 3.23 0.28 0.24 -5.10 120.64 118.34 1g9l n GLU 95 Ca 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.34 1g9l n GLU 95 Cb 1.10 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.97 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 0.20 -4.64 119.36 118.76 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 0.16 -0.03 0.00 0.00 -0.00 0.00 0.00 39.64 39.77 1g9l n ILE 96 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1g9l n ASP 97 N 0.00 0.00 0.00 7.28 2.03 -1.26 -4.77 116.55 119.83 1g9l n ASP 97 Ca 0.00 0.15 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 0.08 1.67 4.13 -1.26 -4.66 115.26 114.08 1g9l n ASN 98 Ca 0.00 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.20 1g9l n ASN 98 Cb 0.00 -0.00 0.08 0.00 -1.54 0.00 0.00 39.78 38.32 1g9l n ASN 98 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1g9l h SER 99 N 0.00 0.28 1.15 6.41 4.64 -1.98 -2.53 113.55 121.52 1g9l h SER 99 Ca 0.00 -0.18 -0.06 0.00 -0.47 0.00 0.00 61.79 61.08 1g9l h SER 99 Cb 0.00 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1g9l h SER 99 CO 0.00 0.88 -0.27 -0.33 -0.87 0.00 0.00 176.83 176.24 1g9l h GLU 100 N 0.17 0.00 0.00 4.77 5.08 -1.93 0.14 114.58 122.82 1g9l h GLU 100 Ca -0.02 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1g9l h GLU 100 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1g9l h GLU 100 CO 0.11 0.27 -0.36 1.25 -1.00 0.00 0.00 179.01 179.28 1g9l h LEU 101 N 0.00 0.00 0.06 1.33 5.85 -1.62 -2.11 115.31 118.82 1g9l h LEU 101 Ca -0.00 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.41 1g9l h LEU 101 Cb 0.92 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1g9l h LEU 101 CO 0.04 0.36 -1.65 0.18 -0.34 0.00 0.00 178.44 177.02 1g9l n LEU 102 N -3.35 2.25 -0.08 2.25 4.32 -0.97 -3.91 117.00 117.51 1g9l n LEU 102 Ca 0.01 0.32 -0.07 0.00 -0.02 0.00 0.00 56.01 56.25 1g9l n LEU 102 Cb 0.57 -1.04 0.11 0.00 -1.62 0.00 0.00 43.42 41.43 1g9l n LEU 102 CO 0.37 0.57 0.72 -0.74 -1.22 0.00 0.00 177.39 177.09 1g9l h HIS 103 N -0.46 0.83 -0.61 -1.77 2.76 -1.06 -1.75 115.15 113.09 1g9l h HIS 103 Ca -0.39 -0.18 0.02 0.00 -2.20 0.00 0.00 60.37 57.61 1g9l h HIS 103 Cb 1.68 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 30.40 1g9l h HIS 103 CO 0.09 0.88 0.40 0.00 -1.30 0.00 0.00 177.93 178.00 1g9l h MET 104 N 0.65 0.77 -0.00 5.26 -0.00 -1.56 0.64 114.93 120.68 1g9l h MET 104 Ca 0.09 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.75 1g9l h MET 104 Cb 0.70 -0.17 0.00 0.00 -0.00 0.00 0.00 31.60 32.13 1g9l h MET 104 CO 0.05 0.51 -0.32 1.28 -0.00 0.00 0.00 176.91 178.43 1g9l n LEU 105 N -4.45 0.42 -0.26 -0.10 4.77 -1.09 -2.89 117.00 113.40 1g9l n LEU 105 Ca 0.06 0.10 0.06 0.00 -0.03 0.00 0.00 56.01 56.20 1g9l n LEU 105 Cb 0.07 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1g9l n LEU 105 CO 0.35 0.10 0.21 -0.62 -1.33 0.00 0.00 177.39 176.11 1g9l n GLU 106 N -1.38 2.00 -3.71 3.23 -0.58 0.24 -4.83 120.64 115.61 1g9l n GLU 106 Ca 0.07 -0.64 -0.12 0.00 -0.42 0.00 0.00 57.16 56.06 1g9l n GLU 106 Cb 0.33 -1.15 -0.12 0.00 -0.57 0.00 0.00 31.44 29.93 1g9l n GLU 106 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1g9l s SER 107 N -1.61 -0.34 0.00 1.62 0.15 0.20 -5.01 113.70 108.70 1g9l s SER 107 Ca 0.10 0.67 0.09 0.00 0.70 0.00 0.00 55.95 57.52 1g9l s SER 107 Cb 0.10 0.57 0.56 0.00 -1.71 0.00 0.00 66.02 65.54 1g9l s SER 107 CO 0.33 -0.18 1.00 -2.65 1.20 0.00 0.00 173.24 172.94 1g9l n PRO 108 N 4.30 0.31 0.00 5.44 -0.02 -1.26 -1.95 135.00 141.82 1g9l n PRO 108 Ca -0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.24 1g9l n PRO 108 Cb 0.54 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 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 -0.98 1.91 -0.04 -0.52 1.02 -1.26 -4.60 120.64 116.18 1g9l n GLU 109 Ca 0.07 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.10 1g9l n GLU 109 Cb 0.03 -0.84 -0.05 0.00 -0.02 0.00 0.00 31.44 30.56 1g9l n GLU 109 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1g9l h SER 110 N 0.00 0.23 -0.27 1.62 0.02 -1.62 0.20 113.55 113.71 1g9l h SER 110 Ca 0.00 -0.20 0.08 0.00 -0.84 0.00 0.00 61.79 60.83 1g9l h SER 110 Cb 0.00 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1g9l h SER 110 CO 0.00 0.37 0.54 0.25 -1.14 0.00 0.00 176.83 176.85 1g9l h LEU 111 N 0.07 0.00 0.00 5.07 6.46 -1.65 0.75 115.31 126.00 1g9l h LEU 111 Ca 0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1g9l h LEU 111 Cb 0.22 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1g9l h LEU 111 CO -0.00 0.00 -0.50 0.54 -0.62 0.00 0.00 178.44 177.85 1g9l n ARG 112 N -3.21 0.34 -0.19 1.25 1.74 -0.65 -2.29 116.66 113.65 1g9l n ARG 112 Ca 0.05 0.33 0.29 0.00 -0.77 0.00 0.00 57.85 57.75 1g9l n ARG 112 Cb 0.66 -1.32 0.73 0.00 -1.02 0.00 0.00 32.46 31.51 1g9l n ARG 112 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1g9l h SER 113 N -0.71 0.00 0.17 0.55 0.87 -0.27 0.59 113.55 114.75 1g9l h SER 113 Ca 0.00 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.31 1g9l h SER 113 Cb 0.50 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1g9l h SER 113 CO 0.00 0.00 -1.11 0.11 -0.53 0.00 0.00 176.83 175.30 1g9l h LYS 114 N 0.00 0.36 0.65 2.24 1.79 0.32 -2.97 116.57 118.95 1g9l h LYS 114 Ca 0.44 -0.61 -0.03 0.00 -2.18 0.00 0.00 60.65 58.27 1g9l h LYS 114 Cb 1.81 0.23 0.01 0.00 -1.58 0.00 0.00 32.23 32.70 1g9l h LYS 114 CO -0.00 1.29 -0.31 0.28 -1.08 0.00 0.00 179.45 179.63 1g9l h VAL 115 N -0.21 0.21 -0.94 0.50 2.07 -0.01 0.52 116.25 118.39 1g9l h VAL 115 Ca -0.21 -0.28 0.18 0.00 0.82 0.00 0.00 66.70 67.21 1g9l h VAL 115 Cb 1.81 0.28 -0.11 0.00 -1.52 0.00 0.00 31.29 31.76 1g9l h VAL 115 CO 0.17 0.03 0.53 -0.78 0.02 0.00 0.00 177.57 177.54 1g9l h ASP 116 N -1.10 0.65 0.34 0.57 3.58 -0.21 0.43 116.42 120.68 1g9l h ASP 116 Ca -0.09 0.10 -0.14 0.00 0.42 0.00 0.00 57.03 57.32 1g9l h ASP 116 Cb 0.71 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.74 1g9l h ASP 116 CO 0.15 0.22 -0.59 -0.33 -2.88 0.00 0.00 179.24 175.81 1g9l h GLU 117 N 0.67 0.25 0.00 0.28 5.08 -1.41 -2.53 114.58 116.92 1g9l h GLU 117 Ca 0.54 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.71 1g9l h GLU 117 Cb 0.86 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 1g9l h GLU 117 CO -0.40 0.76 -0.13 0.00 -1.00 0.00 0.00 179.01 178.24 1g9l h ALA 118 N 1.20 1.08 -0.14 3.43 0.00 0.42 -2.54 119.26 122.73 1g9l h ALA 118 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1g9l h ALA 118 Cb 1.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1g9l h ALA 118 CO 0.09 0.17 0.02 0.28 0.00 0.00 0.00 179.25 179.81 1g9l h VAL 119 N 0.00 1.22 -0.11 0.00 2.07 -0.32 0.82 116.25 119.93 1g9l h VAL 119 Ca -0.00 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.84 1g9l h VAL 119 Cb 0.54 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1g9l h VAL 119 CO 0.02 0.21 0.10 0.00 0.02 0.00 0.00 177.57 177.91 1g9l h ALA 120 N 0.80 1.89 0.05 1.67 0.00 -1.41 0.28 119.26 122.54 1g9l h ALA 120 Ca 0.04 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.68 1g9l h ALA 120 Cb 0.30 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1g9l h ALA 120 CO 0.00 -0.15 -1.35 0.28 0.00 0.00 0.00 179.25 178.03 1g9l h VAL 121 N 0.00 1.33 -0.17 0.00 2.07 -0.99 -3.09 116.25 115.39 1g9l h VAL 121 Ca 0.05 -3.03 -0.19 0.00 0.82 0.00 0.00 66.70 64.35 1g9l h VAL 121 Cb 0.25 2.74 0.01 0.00 -1.52 0.00 0.00 31.29 32.76 1g9l h VAL 121 CO -0.00 0.82 -0.64 0.25 0.02 0.00 0.00 177.57 178.01 1g9l h LEU 122 N 0.03 0.87 -1.21 2.57 5.85 0.24 -1.37 115.31 122.29 1g9l h LEU 122 Ca -0.16 -0.61 -0.02 0.00 0.84 0.00 0.00 57.88 57.94 1g9l h LEU 122 Cb 1.92 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.67 1g9l h LEU 122 CO 0.14 1.32 0.29 1.56 -0.34 0.00 0.00 178.44 181.41 1g9l h GLN 123 N 0.46 0.84 0.00 1.25 1.08 -0.64 -2.82 115.11 115.28 1g9l h GLN 123 Ca -0.03 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 1g9l h GLN 123 Cb 1.27 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 1g9l h GLN 123 CO 0.14 0.65 0.00 0.00 -0.95 0.00 0.00 178.83 178.66 1g9l n ALA 124 N -2.45 -0.04 -0.17 3.87 0.00 -1.17 -3.57 120.51 116.99 1g9l n ALA 124 Ca 0.05 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.66 1g9l n ALA 124 Cb 0.13 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.87 1g9l n ALA 124 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1g9l n HIS 125 N -0.74 0.52 0.00 0.00 -0.00 -0.53 0.63 115.22 115.11 1g9l n HIS 125 Ca 0.00 0.52 0.00 0.00 -0.00 0.00 0.00 57.72 58.24 1g9l n HIS 125 Cb 0.00 -0.96 0.00 0.00 -0.00 0.00 0.00 29.99 29.03 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 -4.00 0.00 -0.97 1.57 1.13 -1.06 -4.12 117.38 109.93 1g9l n GLN 126 Ca 0.19 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 55.09 1g9l n GLN 126 Cb 0.65 -0.84 0.18 0.00 0.11 0.00 0.00 30.24 30.34 1g9l n GLN 126 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1g9l n ALA 127 N -1.13 4.83 -2.02 -1.58 0.00 -0.61 -4.88 120.51 115.13 1g9l n ALA 127 Ca 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 53.44 51.18 1g9l n ALA 127 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1g9l n ALA 127 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1g9l n LYS 128 N -0.63 2.11 -0.46 0.00 2.85 0.21 -4.95 118.16 117.29 1g9l n LYS 128 Ca 0.45 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.65 1g9l n LYS 128 Cb 1.40 0.00 0.10 0.00 -0.65 0.00 0.00 35.03 35.88 1g9l n LYS 128 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1g9l n GLU 129 N -0.27 1.85 0.00 -1.58 2.13 -1.26 -4.57 120.64 116.94 1g9l n GLU 129 Ca 0.00 -1.24 0.00 0.00 0.66 0.00 0.00 57.16 56.58 1g9l n GLU 129 Cb 0.00 -1.58 0.00 0.00 0.27 0.00 0.00 31.44 30.13 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1g9l n ALA 130 N -0.03 -0.18 -1.97 4.31 0.00 -1.26 -4.88 120.51 116.49 1g9l n ALA 130 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1g9l n ALA 130 Cb 0.87 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.33 1g9l n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 131 N -1.10 0.00 -1.71 0.00 0.00 -1.26 -5.09 120.51 111.35 1g9l n ALA 131 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1g9l n ALA 131 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1g9l n ALA 131 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1g9l s GLN 132 N -0.81 2.79 -0.48 0.00 -0.21 -1.26 -4.96 119.66 114.73 1g9l s GLN 132 Ca 0.00 0.68 -0.28 0.00 0.02 0.00 0.00 55.36 55.78 1g9l s GLN 132 Cb 0.00 -1.99 0.00 0.00 1.00 0.00 0.00 33.01 32.02 1g9l s GLN 132 CO 0.00 -1.13 1.54 0.21 -2.12 0.00 0.00 175.29 173.78 1g9l s LYS 133 N -5.19 3.31 0.00 2.91 2.20 -1.26 -4.99 119.74 116.72 1g9l s LYS 133 Ca 0.58 0.80 0.00 0.00 -0.36 0.00 0.00 55.97 57.00 1g9l s LYS 133 Cb -0.13 -4.14 0.00 0.00 -1.51 0.00 0.00 37.83 32.06 1g9l s LYS 133 CO 0.54 -1.90 0.00 0.00 -0.36 0.00 0.00 175.35 173.63 1g9l n ALA 134 N 9.84 0.00 0.39 3.13 0.00 -1.26 -4.96 120.51 127.65 1g9l n ALA 134 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.74 1g9l n ALA 134 Cb 0.49 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.41 1g9l n ALA 134 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1g9l h VAL 135 N -0.29 0.00 -0.23 0.00 3.04 -2.04 -3.16 116.25 113.56 1g9l h VAL 135 Ca 0.00 -0.49 -0.13 0.00 -1.01 0.00 0.00 66.70 65.07 1g9l h VAL 135 Cb 0.00 1.40 -0.07 0.00 -2.01 0.00 0.00 31.29 30.61 1g9l h VAL 135 CO 0.00 0.00 0.17 -3.20 -1.01 0.00 0.00 177.57 173.53 1g9l n ASN 136 N -2.62 4.09 -4.76 3.17 5.15 -1.26 -4.88 115.26 114.15 1g9l n ASN 136 Ca 0.03 -2.49 -0.38 0.00 -0.60 0.00 0.00 54.58 51.13 1g9l n ASN 136 Cb 0.34 -0.75 -0.06 0.00 -0.53 0.00 0.00 39.78 38.79 1g9l n ASN 136 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1g9l s SER 137 N 0.68 6.84 1.04 1.20 0.15 -1.20 -5.08 113.70 117.34 1g9l s SER 137 Ca 0.14 1.01 -0.04 0.00 0.70 0.00 0.00 55.95 57.75 1g9l s SER 137 Cb 0.11 -2.32 0.06 0.00 -1.71 0.00 0.00 66.02 62.17 1g9l s SER 137 CO 0.02 0.11 0.26 0.00 1.20 0.00 0.00 173.24 174.82 1g9l n ALA 138 N 2.88 -0.63 -2.50 5.45 0.00 -1.26 -4.93 120.51 119.52 1g9l n ALA 138 Ca -0.08 -0.36 -0.41 0.00 0.00 0.00 0.00 53.44 52.58 1g9l n ALA 138 Cb 0.51 -0.02 0.01 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.84 5.45 -3.21 0.00 5.66 -1.26 -4.95 114.28 113.12 1g9l n THR 139 Ca 0.03 -5.29 -0.44 0.00 -3.05 0.00 0.00 64.05 55.30 1g9l n THR 139 Cb 0.13 -1.93 -0.06 0.00 -1.55 0.00 0.00 70.33 66.91 1g9l n THR 139 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1g9l s GLY 140 N -0.66 1.86 0.18 1.09 0.00 -1.26 -5.05 107.32 103.47 1g9l s GLY 140 Ca 0.41 -1.98 -0.26 0.00 0.00 0.00 0.00 44.72 42.90 1g9l s GLY 140 CO -0.05 1.38 0.80 -1.34 0.00 0.00 0.00 173.10 173.89 1g9l s VAL 141 N 2.34 4.33 0.25 1.40 -7.23 -1.26 -3.08 120.40 117.16 1g9l s VAL 141 Ca 0.11 1.74 -0.30 0.00 -1.81 0.00 0.00 61.98 61.73 1g9l s VAL 141 Cb -0.22 -4.16 -0.09 0.00 0.56 0.00 0.00 36.38 32.47 1g9l s VAL 141 CO 0.09 0.51 0.97 -2.16 -0.31 0.00 0.00 175.10 174.20 1g9l s PRO 142 N -1.18 4.79 -0.41 4.82 0.04 -1.26 -5.14 135.00 136.67 1g9l s PRO 142 Ca 0.37 1.54 -0.15 0.00 0.04 0.00 0.00 61.00 62.80 1g9l s PRO 142 Cb -0.23 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.10 1g9l s PRO 142 CO 0.27 0.44 0.31 0.99 0.04 0.00 0.00 177.00 179.04 1g9l s THR 143 N -1.21 5.25 -2.16 1.26 2.01 -1.18 -5.20 115.64 114.42 1g9l s THR 143 Ca 0.42 -0.60 0.31 0.00 0.31 0.00 0.00 61.69 62.13 1g9l s THR 143 Cb -0.27 -3.92 0.80 0.00 0.01 0.00 0.00 72.50 69.12 1g9l s THR 143 CO 0.33 -0.29 2.08 1.33 -0.69 0.00 0.00 174.62 177.38