#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9l n GLY 2 N 0.00 -0.73 3.77 3.17 0.00 -1.26 -5.04 105.19 105.10 1x9l n GLY 2 Ca 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 46.02 45.09 1x9l n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1x9l s HIS 3 N 0.00 -0.04 0.34 1.61 5.65 -1.26 -5.21 115.29 116.39 1x9l s HIS 3 Ca 0.00 -0.20 -0.18 0.00 0.25 0.00 0.00 55.06 54.93 1x9l s HIS 3 Cb 0.00 0.61 0.04 0.00 -1.18 0.00 0.00 32.58 32.06 1x9l s HIS 3 CO 0.00 -0.61 0.77 -0.08 -0.65 0.00 0.00 174.74 174.17 1x9l s THR 4 N -2.60 0.00 -0.28 0.89 -1.32 -1.26 -5.18 115.64 105.89 1x9l s THR 4 Ca 0.17 -1.00 -0.21 0.00 -1.21 0.00 0.00 61.69 59.44 1x9l s THR 4 Cb 0.01 -2.53 0.09 0.00 -1.51 0.00 0.00 72.50 68.55 1x9l s THR 4 CO 0.01 0.00 0.79 -0.32 -2.21 0.00 0.00 174.62 172.88 1x9l s MET 5 N -2.94 0.69 1.03 7.08 -2.45 -1.26 -5.18 119.30 116.26 1x9l s MET 5 Ca 0.14 0.98 -0.17 0.00 -1.25 0.00 0.00 55.69 55.39 1x9l s MET 5 Cb -0.05 0.26 0.22 0.00 1.25 0.00 0.00 34.83 36.50 1x9l s MET 5 CO 0.10 -0.11 1.26 -1.25 1.05 0.00 0.00 175.02 176.07 1x9l s PRO 6 N 0.89 0.14 0.18 4.11 0.04 -1.26 -5.12 135.00 133.98 1x9l s PRO 6 Ca -0.04 -0.30 -0.15 0.00 0.04 0.00 0.00 61.00 60.55 1x9l s PRO 6 Cb -0.05 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.73 1x9l s PRO 6 CO -0.09 -2.77 0.45 0.00 0.04 0.00 0.00 177.00 174.63 1x9l s ALA 7 N -3.63 -0.66 0.31 8.56 0.00 -1.26 -5.19 121.76 119.88 1x9l s ALA 7 Ca 0.73 -0.41 -0.18 0.00 0.00 0.00 0.00 51.96 52.10 1x9l s ALA 7 Cb -0.06 0.84 0.03 0.00 0.00 0.00 0.00 23.12 23.93 1x9l s ALA 7 CO 0.54 -0.75 0.71 -1.01 0.00 0.00 0.00 175.76 175.25 1x9l s HIS 8 N -3.90 0.00 -0.14 0.00 3.76 -1.26 -5.19 115.29 108.57 1x9l s HIS 8 Ca 0.11 -0.51 -0.18 0.00 -0.15 0.00 0.00 55.06 54.33 1x9l s HIS 8 Cb 0.00 0.67 0.05 0.00 1.11 0.00 0.00 32.58 34.41 1x9l s HIS 8 CO -0.03 -1.31 0.48 -0.08 -0.85 0.00 0.00 174.74 172.95 1x9l s THR 9 N -3.42 0.01 0.57 1.30 -1.32 -1.26 -5.17 115.64 106.35 1x9l s THR 9 Ca 0.14 -0.08 -0.16 0.00 -1.21 0.00 0.00 61.69 60.39 1x9l s THR 9 Cb -0.05 -0.70 -0.05 0.00 -1.51 0.00 0.00 72.50 70.19 1x9l s THR 9 CO 0.09 -0.04 1.03 -2.16 -2.21 0.00 0.00 174.62 171.32 1x9l s PRO 10 N -0.16 3.58 0.93 7.08 0.04 -1.26 -5.08 135.00 140.13 1x9l s PRO 10 Ca -0.03 1.07 -0.16 0.00 0.04 0.00 0.00 61.00 61.92 1x9l s PRO 10 Cb -0.03 -2.08 0.22 0.00 0.04 0.00 0.00 34.50 32.65 1x9l s PRO 10 CO 0.02 -0.58 1.13 -0.35 0.04 0.00 0.00 177.00 177.25 1x9l n PRO 11 N -1.91 -1.61 -3.82 0.56 -0.04 -1.26 -5.13 135.00 121.79 1x9l n PRO 11 Ca 0.08 -1.75 -0.09 0.00 -0.04 0.00 0.00 63.50 61.69 1x9l n PRO 11 Cb 0.53 -1.28 -0.07 0.00 -0.04 0.00 0.00 33.50 32.65 1x9l n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x9l s ALA 12 N -3.73 -0.36 0.10 0.55 0.00 -1.26 -5.18 121.76 111.88 1x9l s ALA 12 Ca 0.66 -0.47 -0.26 0.00 0.00 0.00 0.00 51.96 51.89 1x9l s ALA 12 Cb -0.03 0.48 0.08 0.00 0.00 0.00 0.00 23.12 23.65 1x9l s ALA 12 CO 0.47 -0.51 0.91 -1.14 0.00 0.00 0.00 175.76 175.50 1x9l s GLN 13 N -3.65 1.08 0.05 0.00 0.74 -1.26 -5.19 119.66 111.43 1x9l s GLN 13 Ca 0.03 -0.53 -0.01 0.00 0.05 0.00 0.00 55.36 54.90 1x9l s GLN 13 Cb 0.04 0.41 -0.04 0.00 1.10 0.00 0.00 33.01 34.52 1x9l s GLN 13 CO -0.10 -0.49 -0.02 -0.08 -0.55 0.00 0.00 175.29 174.06 1x9l s THR 14 N -3.26 0.21 0.52 -0.34 -1.32 -1.26 -5.16 115.64 105.03 1x9l s THR 14 Ca 0.09 -1.71 -0.10 0.00 -1.21 0.00 0.00 61.69 58.75 1x9l s THR 14 Cb -0.01 -1.42 -0.05 0.00 -1.51 0.00 0.00 72.50 69.50 1x9l s THR 14 CO -0.02 -0.95 0.91 0.00 -2.21 0.00 0.00 174.62 172.35 1x9l s ALA 15 N -3.74 3.22 1.00 11.08 0.00 -1.26 -5.12 121.76 126.94 1x9l s ALA 15 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1x9l s ALA 15 Cb 0.07 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1x9l s ALA 15 CO -0.09 -0.38 0.00 -0.35 0.00 0.00 0.00 175.76 174.93 1x9l n PRO 16 N -2.12 -0.15 -3.99 0.00 -0.04 -1.26 -5.14 135.00 122.30 1x9l n PRO 16 Ca 0.04 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.40 1x9l n PRO 16 Cb 0.54 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.94 1x9l n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x9l s ALA 17 N -3.81 -0.01 0.28 0.55 0.00 -1.26 -5.19 121.76 112.32 1x9l s ALA 17 Ca 0.00 -0.94 -0.21 0.00 0.00 0.00 0.00 51.96 50.81 1x9l s ALA 17 Cb 0.00 1.01 0.03 0.00 0.00 0.00 0.00 23.12 24.16 1x9l s ALA 17 CO 0.00 -0.74 0.74 0.00 0.00 0.00 0.00 175.76 175.77 1x9l s ALA 18 N -4.01 -1.21 0.00 0.00 0.00 -1.26 -5.12 121.76 110.16 1x9l s ALA 18 Ca 0.22 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1x9l s ALA 18 Cb 0.02 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.96 1x9l s ALA 18 CO 0.05 -1.04 0.00 1.04 0.00 0.00 0.00 175.76 175.81 1x9l n GLN 19 N -0.47 0.00 -0.30 0.00 6.02 -1.26 -5.18 117.38 116.20 1x9l n GLN 19 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1x9l n GLN 19 Cb 0.59 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.85 1x9l n GLN 19 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1x9l n LYS 20 N -2.27 -0.80 -3.80 -1.09 3.00 -1.26 -5.14 118.16 106.79 1x9l n LYS 20 Ca 0.00 0.61 -0.05 0.00 -0.00 0.00 0.00 58.31 58.87 1x9l n LYS 20 Cb 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 35.03 34.28 1x9l n LYS 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1x9l s ALA 21 N -3.56 -1.44 0.00 3.14 0.00 -1.26 -5.17 121.76 113.46 1x9l s ALA 21 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1x9l s ALA 21 Cb 0.00 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1x9l s ALA 21 CO 0.00 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.13 1x9l n GLY 22 N -0.50 0.05 2.59 0.00 0.00 -1.26 -5.06 105.19 101.02 1x9l n GLY 22 Ca -0.05 0.73 -0.36 0.00 0.00 0.00 0.00 46.02 46.34 1x9l n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x9l n ALA 23 N 0.00 5.78 -3.98 4.61 0.00 -1.26 -4.81 120.51 120.85 1x9l n ALA 23 Ca 0.00 -3.16 -0.31 0.00 0.00 0.00 0.00 53.44 49.98 1x9l n ALA 23 Cb 0.00 -3.35 -0.16 0.00 0.00 0.00 0.00 19.45 15.95 1x9l n ALA 23 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1x9l s GLN 24 N 3.11 1.83 0.00 0.00 -0.21 -1.26 -4.39 119.66 118.75 1x9l s GLN 24 Ca 0.55 -1.01 0.00 0.00 0.02 0.00 0.00 55.36 54.92 1x9l s GLN 24 Cb 0.15 -2.59 0.00 0.00 1.00 0.00 0.00 33.01 31.56 1x9l s GLN 24 CO -0.04 -0.55 0.00 0.00 -2.12 0.00 0.00 175.29 172.59 1x9l n ALA 25 N 4.63 0.00 -2.62 6.09 0.00 0.15 -4.85 120.51 123.91 1x9l n ALA 25 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.88 1x9l n ALA 25 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.87 1x9l n ALA 25 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x9l s LEU 26 N -4.16 4.14 0.94 0.00 2.96 0.42 -4.82 118.68 118.17 1x9l s LEU 26 Ca 0.00 1.47 -0.12 0.00 -0.22 0.00 0.00 54.13 55.26 1x9l s LEU 26 Cb 0.00 -3.54 0.16 0.00 0.50 0.00 0.00 46.19 43.30 1x9l s LEU 26 CO 0.00 -0.65 1.09 -2.16 -1.32 0.00 0.00 176.35 173.31 1x9l s PRO 27 N 3.02 0.87 -1.55 0.98 0.04 -1.26 -2.75 135.00 134.34 1x9l s PRO 27 Ca 0.47 0.80 -0.10 0.00 0.04 0.00 0.00 61.00 62.21 1x9l s PRO 27 Cb -0.17 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1x9l s PRO 27 CO 0.10 -2.50 2.75 1.55 0.04 0.00 0.00 177.00 178.93 1x9l n VAL 28 N -4.06 4.30 -2.77 -0.36 3.14 -1.26 -4.25 118.33 113.06 1x9l n VAL 28 Ca 0.06 -2.91 -0.10 0.00 -2.96 0.00 0.00 64.34 58.43 1x9l n VAL 28 Cb 0.55 -2.54 0.08 0.00 -1.06 0.00 0.00 33.84 30.87 1x9l n VAL 28 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1x9l n THR 29 N 3.60 -0.02 -2.61 1.55 5.66 -1.26 -4.49 114.28 116.71 1x9l n THR 29 Ca 0.71 -1.75 -0.26 0.00 -3.05 0.00 0.00 64.05 59.70 1x9l n THR 29 Cb 0.26 1.35 -0.01 0.00 -1.55 0.00 0.00 70.33 70.38 1x9l n THR 29 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1x9l n VAL 30 N 0.40 2.47 -3.62 1.08 3.14 -1.26 -4.99 118.33 115.55 1x9l n VAL 30 Ca 0.08 -5.03 -0.15 0.00 -2.96 0.00 0.00 64.34 56.27 1x9l n VAL 30 Cb 0.69 -1.22 -0.07 0.00 -1.06 0.00 0.00 33.84 32.18 1x9l n VAL 30 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1x9l s GLN 31 N -3.50 0.85 -0.13 1.45 2.00 -1.26 -4.92 119.66 114.15 1x9l s GLN 31 Ca 0.47 0.46 -0.16 0.00 -2.00 0.00 0.00 55.36 54.13 1x9l s GLN 31 Cb 0.37 0.41 -0.04 0.00 0.80 0.00 0.00 33.01 34.54 1x9l s GLN 31 CO -0.17 -0.20 0.40 0.20 -0.50 0.00 0.00 175.29 175.03 1x9l s GLY 32 N -0.54 2.33 0.78 2.59 0.00 -1.26 -4.91 107.32 106.30 1x9l s GLY 32 Ca -0.07 -0.29 -0.11 0.00 0.00 0.00 0.00 44.72 44.26 1x9l s GLY 32 CO 0.05 0.62 1.10 0.00 0.00 0.00 0.00 173.10 174.87 1x9l s ALA 33 N 0.49 2.17 0.10 3.20 0.00 -1.26 -4.88 121.76 121.57 1x9l s ALA 33 Ca 0.22 0.35 0.09 0.00 0.00 0.00 0.00 51.96 52.63 1x9l s ALA 33 Cb -0.14 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1x9l s ALA 33 CO 0.08 -1.86 -0.24 0.95 0.00 0.00 0.00 175.76 174.69 1x9l s THR 34 N -2.79 1.97 -0.09 0.00 -4.23 0.09 -1.92 115.64 108.67 1x9l s THR 34 Ca 0.63 -1.56 0.02 0.00 -1.18 0.00 0.00 61.69 59.60 1x9l s THR 34 Cb -0.18 -1.75 -0.02 0.00 1.34 0.00 0.00 72.50 71.89 1x9l s THR 34 CO 0.55 0.09 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.86 1x9l s VAL 35 N -1.03 2.84 -0.37 2.29 1.01 0.19 -0.39 120.40 124.94 1x9l s VAL 35 Ca 0.10 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1x9l s VAL 35 Cb -0.10 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1x9l s VAL 35 CO 0.04 0.56 0.53 0.00 0.00 0.00 0.00 175.10 176.23 1x9l n ALA 36 N 2.98 2.09 -0.36 5.51 0.00 -0.38 -0.00 120.51 130.35 1x9l n ALA 36 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1x9l n ALA 36 Cb 0.52 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1x9l n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x9l n ALA 37 N 0.49 0.00 -2.54 0.00 0.00 -1.26 -3.63 120.51 113.57 1x9l n ALA 37 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1x9l n ALA 37 Cb 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.66 1x9l n ALA 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x9l s VAL 38 N 0.00 4.71 1.06 0.00 1.01 -1.26 -4.80 120.40 121.12 1x9l s VAL 38 Ca 0.00 0.41 -0.16 0.00 0.00 0.00 0.00 61.98 62.23 1x9l s VAL 38 Cb 0.00 -4.27 0.22 0.00 0.00 0.00 0.00 36.38 32.33 1x9l s VAL 38 CO 0.00 -0.64 1.16 -2.84 0.00 0.00 0.00 175.10 172.78 1x9l s PRO 39 N 3.13 -0.07 -0.99 2.72 0.02 -1.24 -4.90 135.00 133.67 1x9l s PRO 39 Ca 0.28 0.00 -0.20 0.00 0.02 0.00 0.00 61.00 61.10 1x9l s PRO 39 Cb -0.13 -1.72 -0.10 0.00 0.02 0.00 0.00 34.50 32.57 1x9l s PRO 39 CO 0.21 -2.96 1.97 -0.35 -0.33 0.00 0.00 177.00 175.55 1x9l n PRO 40 N -4.24 1.87 0.16 5.54 -0.04 -1.26 -2.79 135.00 134.25 1x9l n PRO 40 Ca 0.11 -2.16 0.00 0.00 -0.04 0.00 0.00 63.50 61.41 1x9l n PRO 40 Cb 0.59 -3.14 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 1x9l n PRO 40 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x9l n SER 41 N 8.27 -2.14 -1.10 3.54 3.41 -1.26 -5.16 113.62 119.19 1x9l n SER 41 Ca 0.49 0.59 0.01 0.00 -0.26 0.00 0.00 58.87 59.70 1x9l n SER 41 Cb 0.41 2.12 -0.01 0.00 -0.26 0.00 0.00 64.21 66.48 1x9l n SER 41 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1x9l n ILE 42 N -3.24 -1.91 0.00 -1.33 5.41 -1.12 -4.81 119.36 112.36 1x9l n ILE 42 Ca 0.00 0.99 0.00 0.00 1.00 0.00 0.00 62.75 64.74 1x9l n ILE 42 Cb 0.00 -1.64 0.00 0.00 -0.71 0.00 0.00 39.64 37.29 1x9l n ILE 42 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1x9l n ARG 43 N -2.42 0.00 -3.81 0.38 0.63 -1.26 -4.87 116.66 105.31 1x9l n ARG 43 Ca -0.01 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.56 1x9l n ARG 43 Cb 0.35 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.20 1x9l n ARG 43 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1x9l s ASP 44 N 0.00 6.40 0.35 6.15 1.11 -1.26 -0.03 116.67 129.39 1x9l s ASP 44 Ca 0.00 0.47 -0.05 0.00 0.18 0.00 0.00 52.55 53.15 1x9l s ASP 44 Cb 0.00 -2.09 0.01 0.00 1.07 0.00 0.00 42.92 41.91 1x9l s ASP 44 CO 0.00 0.35 0.54 0.28 1.18 0.00 0.00 175.17 177.52 1x9l s THR 45 N -0.75 0.00 0.13 -1.27 -1.32 -1.22 -4.39 115.64 106.81 1x9l s THR 45 Ca 0.15 -1.48 -0.12 0.00 -1.21 0.00 0.00 61.69 59.03 1x9l s THR 45 Cb -0.12 -2.69 0.01 0.00 -1.51 0.00 0.00 72.50 68.19 1x9l s THR 45 CO 0.04 0.00 0.31 0.00 -2.21 0.00 0.00 174.62 172.76 1x9l s ALA 46 N -2.90 -0.47 0.32 11.08 0.00 -1.26 -1.56 121.76 126.97 1x9l s ALA 46 Ca 0.27 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.80 1x9l s ALA 46 Cb -0.01 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 1x9l s ALA 46 CO 0.19 -0.61 0.50 0.00 0.00 0.00 0.00 175.76 175.83 1x9l s ALA 47 N -3.87 3.81 -0.04 0.00 0.00 -0.44 -1.24 121.76 119.98 1x9l s ALA 47 Ca 0.08 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.01 1x9l s ALA 47 Cb 0.03 -1.96 -0.00 0.00 0.00 0.00 0.00 23.12 21.18 1x9l s ALA 47 CO -0.08 0.02 -0.17 0.71 0.00 0.00 0.00 175.76 176.25 1x9l s TYR 48 N -2.23 1.70 0.36 0.00 1.51 0.48 -4.44 117.35 114.74 1x9l s TYR 48 Ca 0.39 -0.50 -0.15 0.00 -1.01 0.00 0.00 57.07 55.80 1x9l s TYR 48 Cb -0.09 -1.15 0.04 0.00 -0.11 0.00 0.00 41.96 40.65 1x9l s TYR 48 CO 0.34 -0.17 0.75 1.41 -1.11 0.00 0.00 175.55 176.76 1x9l s MET 49 N 0.08 2.13 0.01 -0.62 1.75 -0.96 -0.73 119.30 120.95 1x9l s MET 49 Ca -0.05 -1.39 0.03 0.00 -1.25 0.00 0.00 55.69 53.03 1x9l s MET 49 Cb -0.12 0.61 -0.01 0.00 2.84 0.00 0.00 34.83 38.15 1x9l s MET 49 CO 0.02 -0.98 -0.09 -0.08 -0.65 0.00 0.00 175.02 173.24 1x9l s THR 50 N -2.65 0.72 -0.45 10.11 -1.32 -1.26 -0.31 115.64 120.48 1x9l s THR 50 Ca 0.16 -0.57 -0.14 0.00 -1.21 0.00 0.00 61.69 59.93 1x9l s THR 50 Cb -0.05 -0.64 0.07 0.00 -1.51 0.00 0.00 72.50 70.37 1x9l s THR 50 CO 0.11 0.08 0.35 -0.76 -2.21 0.00 0.00 174.62 172.19 1x9l s LEU 51 N -0.55 5.45 -0.37 9.08 1.02 -0.32 -4.42 118.68 128.57 1x9l s LEU 51 Ca 0.01 -1.31 -0.06 0.00 0.02 0.00 0.00 54.13 52.79 1x9l s LEU 51 Cb -0.05 -2.14 0.07 0.00 0.02 0.00 0.00 46.19 44.09 1x9l s LEU 51 CO 0.00 -0.60 0.16 -0.89 0.02 0.00 0.00 176.35 175.05 1x9l s THR 52 N 1.60 3.75 -0.01 5.49 2.01 -1.26 -1.42 115.64 125.80 1x9l s THR 52 Ca 0.04 -1.42 -0.29 0.00 0.31 0.00 0.00 61.69 60.32 1x9l s THR 52 Cb -0.23 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 1x9l s THR 52 CO 0.06 -0.38 0.96 0.20 -0.69 0.00 0.00 174.62 174.77 1x9l s ASN 53 N 1.71 7.33 -0.37 3.53 0.01 -0.98 -4.17 114.94 122.01 1x9l s ASN 53 Ca 0.01 1.61 0.13 0.00 -0.71 0.00 0.00 52.86 53.90 1x9l s ASN 53 Cb -0.21 -2.55 0.37 0.00 0.41 0.00 0.00 41.25 39.26 1x9l s ASN 53 CO 0.01 -0.25 0.78 0.29 -1.51 0.00 0.00 177.10 176.41 1x9l n LYS 54 N 3.93 1.11 0.00 -0.60 5.02 -1.11 -4.83 118.16 121.69 1x9l n LYS 54 Ca 0.05 -3.43 0.00 0.00 -2.02 0.00 0.00 58.31 52.91 1x9l n LYS 54 Cb 0.51 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1x9l n LYS 54 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1x9l n SER 55 N 0.20 -0.08 -1.94 4.39 3.41 -1.18 -0.44 113.62 117.99 1x9l n SER 55 Ca 0.23 0.02 -0.04 0.00 -0.26 0.00 0.00 58.87 58.82 1x9l n SER 55 Cb 0.67 0.51 0.02 0.00 -0.26 0.00 0.00 64.21 65.16 1x9l n SER 55 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1x9l n ASP 56 N -2.52 -3.12 -4.28 4.04 8.00 -1.26 -4.60 116.55 112.81 1x9l n ASP 56 Ca 0.00 -0.19 -0.26 0.00 0.71 0.00 0.00 54.79 55.05 1x9l n ASP 56 Cb 0.00 -1.78 -0.14 0.00 -0.02 0.00 0.00 41.12 39.19 1x9l n ASP 56 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1x9l s GLN 57 N -3.49 1.38 -0.14 -1.24 1.11 -1.26 -4.63 119.66 111.39 1x9l s GLN 57 Ca 0.11 -1.04 -0.29 0.00 0.01 0.00 0.00 55.36 54.15 1x9l s GLN 57 Cb -0.01 -1.56 -0.02 0.00 -1.01 0.00 0.00 33.01 30.40 1x9l s GLN 57 CO 0.20 0.39 1.28 -1.25 0.01 0.00 0.00 175.29 175.92 1x9l s PRO 58 N -1.41 4.25 0.06 2.91 0.04 -1.26 -3.44 135.00 136.15 1x9l s PRO 58 Ca 0.08 1.70 0.07 0.00 0.04 0.00 0.00 61.00 62.89 1x9l s PRO 58 Cb -0.09 -3.74 -0.03 0.00 0.04 0.00 0.00 34.50 30.68 1x9l s PRO 58 CO 0.03 -0.67 -0.17 0.42 0.04 0.00 0.00 177.00 176.65 1x9l s ILE 59 N 3.28 2.90 0.05 0.56 1.09 0.05 -4.91 121.20 124.23 1x9l s ILE 59 Ca 0.56 -1.23 0.08 0.00 -1.10 0.00 0.00 60.65 58.97 1x9l s ILE 59 Cb -0.23 -2.26 -0.03 0.00 -1.06 0.00 0.00 42.46 38.88 1x9l s ILE 59 CO 0.17 0.28 -0.21 -1.59 -0.10 0.00 0.00 174.94 173.48 1x9l s LYS 60 N -1.63 1.92 -0.11 2.79 -2.85 -1.26 -0.82 119.74 117.78 1x9l s LYS 60 Ca 0.16 -1.06 -0.06 0.00 -1.00 0.00 0.00 55.97 54.01 1x9l s LYS 60 Cb -0.11 -2.09 0.04 0.00 -2.06 0.00 0.00 37.83 33.61 1x9l s LYS 60 CO 0.07 0.52 0.26 -1.17 0.10 0.00 0.00 175.35 175.13 1x9l s LEU 61 N -1.45 0.47 -0.39 2.77 1.98 -1.26 -4.60 118.68 116.19 1x9l s LEU 61 Ca 0.14 0.56 0.11 0.00 -2.89 0.00 0.00 54.13 52.04 1x9l s LEU 61 Cb -0.10 0.81 0.37 0.00 0.66 0.00 0.00 46.19 47.94 1x9l s LEU 61 CO 0.04 -0.16 1.01 0.55 -1.89 0.00 0.00 176.35 175.91 1x9l n VAL 62 N 4.02 0.17 -3.54 1.68 3.14 0.20 -4.16 118.33 119.84 1x9l n VAL 62 Ca -0.23 -2.77 -0.16 0.00 -2.96 0.00 0.00 64.34 58.22 1x9l n VAL 62 Cb 0.54 0.69 -0.06 0.00 -1.06 0.00 0.00 33.84 33.95 1x9l n VAL 62 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1x9l s GLY 63 N -2.01 -0.52 -0.44 7.55 0.00 -0.67 -4.63 107.32 106.60 1x9l s GLY 63 Ca 0.29 1.51 0.07 0.00 0.00 0.00 0.00 44.72 46.58 1x9l s GLY 63 CO -0.05 1.04 1.04 0.00 0.00 0.00 0.00 173.10 175.14 1x9l n ALA 64 N 1.04 -0.12 -2.71 3.20 0.00 -1.25 -3.35 120.51 117.32 1x9l n ALA 64 Ca -0.17 -1.89 -0.39 0.00 0.00 0.00 0.00 53.44 50.99 1x9l n ALA 64 Cb 0.57 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.86 1x9l n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x9l s ALA 65 N -0.34 3.39 -0.17 0.00 0.00 0.59 -4.70 121.76 120.53 1x9l s ALA 65 Ca 0.26 0.03 -0.26 0.00 0.00 0.00 0.00 51.96 51.98 1x9l s ALA 65 Cb 0.31 -2.85 0.07 0.00 0.00 0.00 0.00 23.12 20.65 1x9l s ALA 65 CO -0.06 -0.06 0.67 -0.08 0.00 0.00 0.00 175.76 176.24 1x9l s THR 66 N 0.70 0.00 0.00 0.00 -1.32 -1.26 -0.22 115.64 113.54 1x9l s THR 66 Ca 0.33 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.80 1x9l s THR 66 Cb -0.17 -0.96 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 1x9l s THR 66 CO 0.16 -0.01 1.74 -0.81 -2.21 0.00 0.00 174.62 173.48 1x9l n PRO 67 N 1.98 0.88 -0.06 7.08 -0.04 -1.26 -3.82 135.00 139.77 1x9l n PRO 67 Ca -0.16 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.19 1x9l n PRO 67 Cb 0.56 -1.06 -0.04 0.00 -0.04 0.00 0.00 33.50 32.92 1x9l n PRO 67 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1x9l n LEU 68 N 1.53 1.32 -4.35 1.53 -0.00 -1.26 -4.92 117.00 110.85 1x9l n LEU 68 Ca 0.00 0.22 -0.19 0.00 -0.00 0.00 0.00 56.01 56.04 1x9l n LEU 68 Cb 0.44 -0.51 -0.10 0.00 -0.00 0.00 0.00 43.42 43.25 1x9l n LEU 68 CO 0.00 -0.05 -0.43 0.00 -0.00 0.00 0.00 177.39 176.91 1x9l s ALA 69 N -2.39 2.06 -0.02 1.96 0.00 -1.25 -1.55 121.76 120.57 1x9l s ALA 69 Ca -0.19 -1.68 -0.14 0.00 0.00 0.00 0.00 51.96 49.95 1x9l s ALA 69 Cb 0.06 -0.06 -0.33 0.00 0.00 0.00 0.00 23.12 22.78 1x9l s ALA 69 CO 0.26 0.06 0.80 1.15 0.00 0.00 0.00 175.76 178.03 1x9l h THR 70 N 2.53 1.09 -3.55 0.00 2.02 -0.34 -3.43 112.91 111.24 1x9l h THR 70 Ca -0.38 -2.58 -0.66 0.00 0.77 0.00 0.00 66.41 63.56 1x9l h THR 70 Cb 1.22 2.89 -0.40 0.00 -1.74 0.00 0.00 68.15 70.12 1x9l h THR 70 CO 0.62 0.83 -0.65 -0.55 0.37 0.00 0.00 175.52 176.14 1x9l s SER 71 N -7.40 4.64 -0.94 4.18 0.15 0.79 -4.99 113.70 110.12 1x9l s SER 71 Ca -0.13 -2.53 -0.24 0.00 0.70 0.00 0.00 55.95 53.75 1x9l s SER 71 Cb 0.05 -1.66 0.03 0.00 -1.71 0.00 0.00 66.02 62.73 1x9l s SER 71 CO 0.89 -0.33 1.48 -2.16 1.20 0.00 0.00 173.24 174.32 1x9l s PRO 72 N 0.39 3.38 -0.30 5.44 0.04 -1.26 -0.41 135.00 142.27 1x9l s PRO 72 Ca 0.14 -0.81 -0.10 0.00 0.04 0.00 0.00 61.00 60.26 1x9l s PRO 72 Cb -0.22 -5.07 -0.01 0.00 0.04 0.00 0.00 34.50 29.23 1x9l s PRO 72 CO -0.04 -2.34 0.15 -1.64 0.04 0.00 0.00 177.00 173.17 1x9l s MET 73 N 5.40 3.44 0.10 4.56 -1.94 0.35 -4.79 119.30 126.42 1x9l s MET 73 Ca 0.47 -0.65 -0.28 0.00 -1.71 0.00 0.00 55.69 53.52 1x9l s MET 73 Cb -0.03 -3.57 -0.06 0.00 2.01 0.00 0.00 34.83 33.19 1x9l s MET 73 CO -0.03 -0.37 0.90 -0.51 -0.01 0.00 0.00 175.02 174.99 1x9l s LEU 74 N 1.64 4.49 0.00 -0.03 1.02 -1.26 -0.13 118.68 124.40 1x9l s LEU 74 Ca 0.05 1.69 0.01 0.00 0.02 0.00 0.00 54.13 55.90 1x9l s LEU 74 Cb -0.17 -3.47 0.01 0.00 0.02 0.00 0.00 46.19 42.58 1x9l s LEU 74 CO 0.07 -0.03 0.10 0.80 0.02 0.00 0.00 176.35 177.31 1x9l n MET 75 N 2.72 0.72 -3.61 1.70 1.56 -0.03 -1.27 117.12 118.91 1x9l n MET 75 Ca 0.01 -3.72 -0.15 0.00 -0.27 0.00 0.00 57.70 53.57 1x9l n MET 75 Cb 0.49 0.86 -0.07 0.00 2.15 0.00 0.00 33.22 36.65 1x9l n MET 75 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1x9l s THR 76 N -2.85 0.00 -0.46 1.12 -1.32 -1.26 -4.12 115.64 106.75 1x9l s THR 76 Ca 0.08 -0.02 0.07 0.00 -1.21 0.00 0.00 61.69 60.61 1x9l s THR 76 Cb -0.01 -0.95 0.29 0.00 -1.51 0.00 0.00 72.50 70.33 1x9l s THR 76 CO 0.05 -0.01 0.98 1.07 -2.21 0.00 0.00 174.62 174.49 1x9l n THR 77 N 2.14 -0.06 -4.09 5.08 5.66 -1.04 -3.06 114.28 118.92 1x9l n THR 77 Ca -0.16 -1.95 -0.15 0.00 -3.05 0.00 0.00 64.05 58.75 1x9l n THR 77 Cb 0.56 1.13 -0.04 0.00 -1.55 0.00 0.00 70.33 70.43 1x9l n THR 77 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1x9l n THR 78 N 0.81 0.00 -3.67 1.09 5.66 -0.33 -3.58 114.28 114.26 1x9l n THR 78 Ca 0.10 -1.79 -0.32 0.00 -3.05 0.00 0.00 64.05 58.99 1x9l n THR 78 Cb 0.66 1.03 -0.05 0.00 -1.55 0.00 0.00 70.33 70.42 1x9l n THR 78 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1x9l s HIS 79 N -3.14 3.50 0.00 1.09 3.76 -1.26 -2.32 115.29 116.92 1x9l s HIS 79 Ca 0.29 0.59 0.00 0.00 -0.15 0.00 0.00 55.06 55.79 1x9l s HIS 79 Cb -0.00 -2.02 0.00 0.00 1.11 0.00 0.00 32.58 31.67 1x9l s HIS 79 CO 0.21 0.47 0.00 0.43 -0.85 0.00 0.00 174.74 174.99 1x9l n SER 80 N 0.31 0.00 -4.77 1.40 7.64 -1.26 -4.88 113.62 112.05 1x9l n SER 80 Ca -0.04 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.44 1x9l n SER 80 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1x9l n SER 80 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x9l s GLY 81 N 0.00 2.94 0.00 0.23 0.00 -1.26 -4.83 107.32 104.40 1x9l s GLY 81 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 44.72 46.20 1x9l s GLY 81 CO 0.00 2.13 0.00 0.61 0.00 0.00 0.00 173.10 175.84 1x9l n GLY 82 N 0.55 0.00 3.40 0.20 0.00 -1.26 -4.49 105.19 103.58 1x9l n GLY 82 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1x9l n GLY 82 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x9l s MET 83 N 0.00 1.59 -0.59 1.61 -1.94 -1.26 -5.04 119.30 113.66 1x9l s MET 83 Ca 0.00 -1.63 0.02 0.00 -1.71 0.00 0.00 55.69 52.36 1x9l s MET 83 Cb 0.00 0.38 0.41 0.00 2.01 0.00 0.00 34.83 37.63 1x9l s MET 83 CO 0.00 -0.62 1.57 0.00 -0.01 0.00 0.00 175.02 175.97 1x9l n ALA 84 N -0.44 5.75 -3.32 3.03 0.00 -0.98 -1.19 120.51 123.37 1x9l n ALA 84 Ca 0.02 -4.05 -0.09 0.00 0.00 0.00 0.00 53.44 49.31 1x9l n ALA 84 Cb 0.63 -1.19 -0.07 0.00 0.00 0.00 0.00 19.45 18.83 1x9l n ALA 84 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x9l s GLY 85 N -2.45 -0.52 -0.94 0.00 0.00 -1.21 -4.79 107.32 97.41 1x9l s GLY 85 Ca 0.52 0.34 -0.12 0.00 0.00 0.00 0.00 44.72 45.47 1x9l s GLY 85 CO -0.21 2.95 2.10 -0.13 0.00 0.00 0.00 173.10 177.81 1x9l n MET 86 N 5.35 2.03 -4.21 2.90 0.00 -1.17 -4.38 117.12 117.64 1x9l n MET 86 Ca -0.00 -1.69 -0.24 0.00 -0.00 0.00 0.00 57.70 55.77 1x9l n MET 86 Cb 0.49 -2.67 -0.07 0.00 0.00 0.00 0.00 33.22 30.97 1x9l n MET 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 1x9l s LYS 87 N 3.85 2.22 -0.78 2.12 -2.85 -1.26 -4.98 119.74 118.06 1x9l s LYS 87 Ca 0.47 -1.69 -0.26 0.00 -1.00 0.00 0.00 55.97 53.49 1x9l s LYS 87 Cb 0.12 -2.03 0.02 0.00 -2.06 0.00 0.00 37.83 33.88 1x9l s LYS 87 CO 0.01 0.08 1.40 -1.64 0.10 0.00 0.00 175.35 175.31 1x9l s MET 88 N -3.80 3.16 0.53 1.78 -1.94 -1.26 -4.21 119.30 113.57 1x9l s MET 88 Ca 0.37 -0.28 -0.06 0.00 -1.71 0.00 0.00 55.69 54.01 1x9l s MET 88 Cb -0.00 -4.43 -0.02 0.00 2.01 0.00 0.00 34.83 32.39 1x9l s MET 88 CO 0.21 -2.27 0.84 0.14 -0.01 0.00 0.00 175.02 173.92 1x9l s VAL 89 N 6.18 4.45 0.25 -6.03 -7.23 -0.40 -4.98 120.40 112.64 1x9l s VAL 89 Ca 0.42 0.16 -0.10 0.00 -1.81 0.00 0.00 61.98 60.64 1x9l s VAL 89 Cb -0.07 -3.72 0.36 0.00 0.56 0.00 0.00 36.38 33.51 1x9l s VAL 89 CO 0.11 -0.73 1.59 1.55 -0.31 0.00 0.00 175.10 177.31 1x9l h PRO 90 N 0.06 -0.00 0.00 4.82 0.13 -1.94 -3.41 132.00 131.66 1x9l h PRO 90 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1x9l h PRO 90 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1x9l h PRO 90 CO 0.61 -0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.71 1x9l n TRP 91 N -5.54 0.00 -3.87 1.56 2.14 -1.26 -4.89 117.44 105.57 1x9l n TRP 91 Ca 0.12 0.00 -0.30 0.00 2.07 0.00 0.00 57.50 59.39 1x9l n TRP 91 Cb 0.43 0.00 -0.16 0.00 -0.81 0.00 0.00 31.31 30.77 1x9l n TRP 91 CO 0.00 0.00 0.00 -0.48 2.07 0.00 0.00 177.69 179.28 1x9l s LEU 92 N 0.00 2.54 0.37 5.67 -0.00 -1.26 -4.94 118.68 121.06 1x9l s LEU 92 Ca 0.00 -1.34 -0.24 0.00 -0.00 0.00 0.00 54.13 52.55 1x9l s LEU 92 Cb 0.00 -1.07 -0.10 0.00 -0.00 0.00 0.00 46.19 45.02 1x9l s LEU 92 CO 0.00 -0.30 1.00 -0.89 -0.00 0.00 0.00 176.35 176.16 1x9l s THR 93 N 1.46 3.97 -0.00 5.48 2.01 -1.26 -4.39 115.64 122.91 1x9l s THR 93 Ca 0.00 1.53 0.04 0.00 0.31 0.00 0.00 61.69 63.57 1x9l s THR 93 Cb -0.18 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 1x9l s THR 93 CO -0.11 0.02 -0.12 0.27 -0.69 0.00 0.00 174.62 174.00 1x9l s ILE 94 N -1.70 0.93 0.40 1.82 -5.25 0.00 -4.49 121.20 112.92 1x9l s ILE 94 Ca 0.55 -0.57 -0.06 0.00 -0.99 0.00 0.00 60.65 59.58 1x9l s ILE 94 Cb -0.19 -0.79 0.09 0.00 2.95 0.00 0.00 42.46 44.52 1x9l s ILE 94 CO 0.25 0.22 0.55 -0.81 -1.79 0.00 0.00 174.94 173.35 1x9l n PRO 95 N 2.66 -0.42 -1.65 0.37 -0.04 -1.26 -0.77 135.00 133.89 1x9l n PRO 95 Ca -0.14 -0.94 -0.41 0.00 -0.04 0.00 0.00 63.50 61.97 1x9l n PRO 95 Cb 0.56 -0.54 0.01 0.00 -0.04 0.00 0.00 33.50 33.49 1x9l n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x9l n ALA 96 N -3.30 0.61 -2.13 0.55 0.00 -1.22 -0.21 120.51 114.82 1x9l n ALA 96 Ca -0.09 0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.46 1x9l n ALA 96 Cb 0.25 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.52 1x9l n ALA 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x9l n ARG 97 N 0.05 -1.93 -1.74 0.00 5.12 -1.26 -4.90 116.66 112.00 1x9l n ARG 97 Ca 0.09 0.66 -0.29 0.00 -1.93 0.00 0.00 57.85 56.37 1x9l n ARG 97 Cb 0.39 -5.15 -0.04 0.00 -1.16 0.00 0.00 32.46 26.50 1x9l n ARG 97 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1x9l s GLY 98 N -2.05 -0.31 -0.46 -0.13 0.00 0.71 -4.79 107.32 100.29 1x9l s GLY 98 Ca 0.00 -0.57 0.08 0.00 0.00 0.00 0.00 44.72 44.24 1x9l s GLY 98 CO 0.00 3.91 0.95 2.41 0.00 0.00 0.00 173.10 180.37 1x9l n THR 99 N 8.01 1.97 -2.34 0.90 -1.04 -1.23 -2.31 114.28 118.24 1x9l n THR 99 Ca 0.36 -4.86 -0.26 0.00 -2.04 0.00 0.00 64.05 57.25 1x9l n THR 99 Cb 0.50 -0.86 0.04 0.00 -1.82 0.00 0.00 70.33 68.20 1x9l n THR 99 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1x9l s LEU 100 N -3.25 3.10 -0.25 -4.42 2.01 -0.51 -4.91 118.68 110.46 1x9l s LEU 100 Ca 0.44 0.61 -0.03 0.00 0.01 0.00 0.00 54.13 55.16 1x9l s LEU 100 Cb 0.35 -3.38 0.11 0.00 0.01 0.00 0.00 46.19 43.28 1x9l s LEU 100 CO -0.12 -1.24 0.25 0.28 1.01 0.00 0.00 176.35 176.54 1x9l s THR 101 N -3.07 -0.35 -0.25 5.49 -1.32 -1.26 -1.17 115.64 113.71 1x9l s THR 101 Ca 0.56 -0.31 -0.27 0.00 -1.21 0.00 0.00 61.69 60.46 1x9l s THR 101 Cb -0.11 -0.83 0.01 0.00 -1.51 0.00 0.00 72.50 70.06 1x9l s THR 101 CO 0.45 -0.34 0.97 -0.76 -2.21 0.00 0.00 174.62 172.72 1x9l s LEU 102 N 2.34 4.07 0.03 9.08 1.02 0.58 -4.69 118.68 131.11 1x9l s LEU 102 Ca 0.08 1.19 0.06 0.00 0.02 0.00 0.00 54.13 55.48 1x9l s LEU 102 Cb -0.15 -3.41 -0.02 0.00 0.02 0.00 0.00 46.19 42.63 1x9l s LEU 102 CO -0.22 -0.65 -0.17 -1.10 0.02 0.00 0.00 176.35 174.24 1x9l s GLN 103 N 3.13 1.14 0.00 1.70 -0.21 0.17 -2.26 119.66 123.33 1x9l s GLN 103 Ca 0.41 -0.80 -0.30 0.00 0.02 0.00 0.00 55.36 54.69 1x9l s GLN 103 Cb -0.15 -1.18 -0.08 0.00 1.00 0.00 0.00 33.01 32.60 1x9l s GLN 103 CO 0.08 0.30 1.91 0.50 -2.12 0.00 0.00 175.29 175.96 1x9l s ARG 104 N -1.05 4.09 -0.97 2.91 3.52 -1.26 -0.50 118.95 125.69 1x9l s ARG 104 Ca 0.04 2.49 -0.04 0.00 -0.13 0.00 0.00 55.73 58.09 1x9l s ARG 104 Cb -0.08 -4.14 0.00 0.00 -1.56 0.00 0.00 34.95 29.18 1x9l s ARG 104 CO 0.01 -1.00 0.56 -3.47 -0.81 0.00 0.00 175.30 170.59 1x9l n ASP 105 N 7.68 -4.69 -2.70 -2.12 2.03 -1.26 -4.95 116.55 110.54 1x9l n ASP 105 Ca 0.20 -0.26 -0.05 0.00 0.52 0.00 0.00 54.79 55.20 1x9l n ASP 105 Cb 0.42 -3.44 0.05 0.00 -0.72 0.00 0.00 41.12 37.43 1x9l n ASP 105 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x9l n GLY 106 N -1.35 -1.11 1.61 0.27 0.00 0.34 -4.94 105.19 100.01 1x9l n GLY 106 Ca -0.04 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1x9l n GLY 106 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x9l n ASP 107 N 2.07 -8.48 -3.75 1.61 2.03 -1.23 -2.10 116.55 106.70 1x9l n ASP 107 Ca 0.09 1.17 0.03 0.00 0.52 0.00 0.00 54.79 56.59 1x9l n ASP 107 Cb 0.65 -4.25 0.01 0.00 -0.72 0.00 0.00 41.12 36.80 1x9l n ASP 107 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1x9l s HIS 108 N -1.90 0.00 -0.12 -0.67 -3.43 -1.26 0.46 115.29 108.37 1x9l s HIS 108 Ca 0.00 -0.09 0.01 0.00 -0.80 0.00 0.00 55.06 54.18 1x9l s HIS 108 Cb 0.00 0.54 -0.01 0.00 -1.43 0.00 0.00 32.58 31.68 1x9l s HIS 108 CO 0.00 -0.21 -0.16 0.08 -2.00 0.00 0.00 174.74 172.44 1x9l s VAL 109 N -2.12 2.74 -0.59 -5.38 1.01 -1.26 -0.85 120.40 113.95 1x9l s VAL 109 Ca 0.24 -0.77 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 1x9l s VAL 109 Cb 0.02 -2.12 0.06 0.00 0.00 0.00 0.00 36.38 34.34 1x9l s VAL 109 CO -0.03 0.54 0.89 -0.04 0.00 0.00 0.00 175.10 176.46 1x9l s MET 110 N 0.32 3.20 -1.24 2.72 -1.94 0.81 -1.32 119.30 121.84 1x9l s MET 110 Ca -0.13 -0.64 -0.18 0.00 -1.71 0.00 0.00 55.69 53.03 1x9l s MET 110 Cb -0.16 -4.14 0.09 0.00 2.01 0.00 0.00 34.83 32.63 1x9l s MET 110 CO 0.07 -1.57 1.63 -0.51 -0.01 0.00 0.00 175.02 174.62 1x9l s LEU 111 N 3.71 4.09 0.39 -0.03 1.02 -0.60 -0.50 118.68 126.76 1x9l s LEU 111 Ca 0.24 -2.44 -0.14 0.00 0.02 0.00 0.00 54.13 51.80 1x9l s LEU 111 Cb -0.16 -2.54 -0.08 0.00 0.02 0.00 0.00 46.19 43.43 1x9l s LEU 111 CO 0.14 -1.12 0.80 -0.32 0.02 0.00 0.00 176.35 175.87 1x9l s MET 112 N 3.72 3.93 0.00 1.70 1.75 0.45 -3.44 119.30 127.40 1x9l s MET 112 Ca 0.50 0.66 0.00 0.00 -1.25 0.00 0.00 55.69 55.60 1x9l s MET 112 Cb 0.02 -2.36 0.00 0.00 2.84 0.00 0.00 34.83 35.33 1x9l s MET 112 CO 0.04 0.02 0.00 0.41 -0.65 0.00 0.00 175.02 174.84 1x9l n GLY 113 N -0.89 0.60 3.68 2.11 0.00 0.96 -0.15 105.19 111.51 1x9l n GLY 113 Ca 0.04 -0.37 -0.56 0.00 0.00 0.00 0.00 46.02 45.12 1x9l n GLY 113 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x9l n LEU 114 N -0.82 2.16 0.09 0.99 4.77 0.41 -0.34 117.00 124.28 1x9l n LEU 114 Ca 0.00 1.09 -0.04 0.00 -0.03 0.00 0.00 56.01 57.02 1x9l n LEU 114 Cb 0.35 -1.14 -0.02 0.00 -2.33 0.00 0.00 43.42 40.28 1x9l n LEU 114 CO 0.00 -0.60 0.19 0.11 -1.33 0.00 0.00 177.39 175.76 1x9l h LYS 115 N 6.50 -0.27 0.00 3.23 1.57 -1.62 -3.45 116.57 122.52 1x9l h LYS 115 Ca -0.47 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1x9l h LYS 115 Cb 1.32 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.70 1x9l h LYS 115 CO 0.91 -0.18 0.00 0.54 -0.57 0.00 0.00 179.45 180.15 1x9l n ARG 116 N -3.81 0.00 -1.57 3.15 5.12 -1.26 -5.06 116.66 113.23 1x9l n ARG 116 Ca -0.04 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.52 1x9l n ARG 116 Cb 0.11 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.38 1x9l n ARG 116 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1x9l n PRO 117 N 0.00 3.87 -1.53 5.56 -0.04 -1.26 -4.91 135.00 136.69 1x9l n PRO 117 Ca 0.00 -2.63 -0.29 0.00 -0.04 0.00 0.00 63.50 60.54 1x9l n PRO 117 Cb 0.00 -2.64 0.11 0.00 -0.04 0.00 0.00 33.50 30.94 1x9l n PRO 117 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1x9l s LEU 118 N -0.91 2.30 -0.15 1.53 -0.00 -1.26 -5.09 118.68 115.10 1x9l s LEU 118 Ca 0.63 1.15 -0.06 0.00 -0.00 0.00 0.00 54.13 55.85 1x9l s LEU 118 Cb 0.20 -3.62 0.07 0.00 -0.00 0.00 0.00 46.19 42.84 1x9l s LEU 118 CO -0.08 -2.28 0.34 -0.75 -0.00 0.00 0.00 176.35 173.57 1x9l s LYS 119 N -5.20 0.26 0.02 1.48 2.20 -1.26 -5.10 119.74 112.14 1x9l s LYS 119 Ca 0.62 0.81 -0.31 0.00 -0.36 0.00 0.00 55.97 56.73 1x9l s LYS 119 Cb -0.15 0.07 -0.10 0.00 -1.51 0.00 0.00 37.83 36.14 1x9l s LYS 119 CO 0.54 -0.23 1.94 1.55 -0.36 0.00 0.00 175.35 178.79 1x9l n VAL 120 N 4.97 0.69 0.00 4.02 3.14 -1.26 -1.64 118.33 128.25 1x9l n VAL 120 Ca -0.13 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.12 1x9l n VAL 120 Cb 0.51 -2.21 0.00 0.00 -1.06 0.00 0.00 33.84 31.08 1x9l n VAL 120 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1x9l n GLY 121 N 4.49 0.41 3.66 7.55 0.00 0.64 -5.02 105.19 116.92 1x9l n GLY 121 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1x9l n GLY 121 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x9l s GLU 122 N -0.87 0.30 -0.34 1.61 0.41 -0.65 -4.75 118.70 114.41 1x9l s GLU 122 Ca 0.00 0.55 -0.00 0.00 -0.41 0.00 0.00 54.97 55.11 1x9l s GLU 122 Cb 0.00 -1.72 0.11 0.00 -1.78 0.00 0.00 34.13 30.74 1x9l s GLU 122 CO 0.00 -2.83 0.14 0.99 -0.49 0.00 0.00 175.26 173.07 1x9l s THR 123 N -2.92 0.91 -0.04 3.63 2.01 -1.26 -0.70 115.64 117.27 1x9l s THR 123 Ca 0.66 -1.68 0.04 0.00 0.31 0.00 0.00 61.69 61.02 1x9l s THR 123 Cb -0.19 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 1x9l s THR 123 CO 0.58 -0.76 -0.16 -0.69 -0.69 0.00 0.00 174.62 172.90 1x9l s VAL 124 N 1.28 2.90 0.16 3.82 1.01 0.23 -4.87 120.40 124.93 1x9l s VAL 124 Ca 0.12 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 60.98 1x9l s VAL 124 Cb -0.19 -2.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.97 1x9l s VAL 124 CO -0.17 0.57 1.49 0.20 0.00 0.00 0.00 175.10 177.19 1x9l s ASN 125 N -0.77 6.68 -0.31 3.32 -0.87 -1.26 -0.56 114.94 121.17 1x9l s ASN 125 Ca 0.12 2.52 -0.06 0.00 -1.57 0.00 0.00 52.86 53.87 1x9l s ASN 125 Cb -0.10 -2.60 0.03 0.00 -0.02 0.00 0.00 41.25 38.56 1x9l s ASN 125 CO 0.01 -0.75 0.07 -0.51 -2.57 0.00 0.00 177.10 173.35 1x9l s ILE 126 N 0.95 3.66 -0.48 0.60 -1.16 0.86 -4.59 121.20 121.05 1x9l s ILE 126 Ca 0.67 -1.00 -0.19 0.00 -0.51 0.00 0.00 60.65 59.62 1x9l s ILE 126 Cb -0.41 -2.99 0.05 0.00 0.61 0.00 0.00 42.46 39.71 1x9l s ILE 126 CO 0.33 -0.04 0.59 -0.89 -2.81 0.00 0.00 174.94 172.12 1x9l s THR 127 N 1.41 4.91 0.86 4.00 2.01 0.70 -0.27 115.64 129.26 1x9l s THR 127 Ca -0.00 -0.37 -0.13 0.00 0.31 0.00 0.00 61.69 61.49 1x9l s THR 127 Cb -0.18 -4.24 0.12 0.00 0.01 0.00 0.00 72.50 68.21 1x9l s THR 127 CO 0.01 -0.70 1.21 -1.48 -0.69 0.00 0.00 174.62 172.97 1x9l s LEU 128 N 2.56 2.46 -0.28 4.42 0.05 0.03 -0.30 118.68 127.63 1x9l s LEU 128 Ca 0.16 0.68 0.01 0.00 0.05 0.00 0.00 54.13 55.03 1x9l s LEU 128 Cb -0.18 -3.04 0.16 0.00 -2.05 0.00 0.00 46.19 41.08 1x9l s LEU 128 CO 0.13 -2.21 0.43 -0.75 -0.55 0.00 0.00 176.35 173.41 1x9l s LYS 129 N -5.62 0.42 -0.09 1.48 2.20 -1.21 -3.97 119.74 112.95 1x9l s LYS 129 Ca 0.65 0.33 -0.28 0.00 -0.36 0.00 0.00 55.97 56.31 1x9l s LYS 129 Cb -0.10 -0.25 -0.02 0.00 -1.51 0.00 0.00 37.83 35.96 1x9l s LYS 129 CO 0.50 -0.90 0.91 0.00 -0.36 0.00 0.00 175.35 175.50 1x9l s ALA 130 N 2.59 3.36 0.36 3.13 0.00 -1.24 -0.63 121.76 129.33 1x9l s ALA 130 Ca 0.11 0.29 0.14 0.00 0.00 0.00 0.00 51.96 52.51 1x9l s ALA 130 Cb -0.13 -3.29 1.02 0.00 0.00 0.00 0.00 23.12 20.71 1x9l s ALA 130 CO -0.25 -0.45 1.73 0.00 0.00 0.00 0.00 175.76 176.78 1x9l h THR 131 N 5.00 0.48 -1.19 0.00 1.03 -1.89 0.11 112.91 116.45 1x9l h THR 131 Ca -0.34 -0.16 0.35 0.00 -0.01 0.00 0.00 66.41 66.25 1x9l h THR 131 Cb 1.17 -0.02 -0.10 0.00 -1.07 0.00 0.00 68.15 68.13 1x9l h THR 131 CO 0.81 0.08 0.78 0.44 -0.01 0.00 0.00 175.52 177.63 1x9l h ASP 132 N 0.46 0.30 0.00 0.00 5.19 -1.92 -3.44 116.42 117.01 1x9l h ASP 132 Ca 0.65 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 57.15 1x9l h ASP 132 Cb 1.45 0.05 0.00 0.00 0.18 0.00 0.00 39.33 41.02 1x9l h ASP 132 CO -0.43 -0.03 0.00 0.61 -3.12 0.00 0.00 179.24 176.28 1x9l n GLY 133 N -1.54 0.34 3.21 2.75 0.00 0.32 -5.17 105.19 105.09 1x9l n GLY 133 Ca 0.30 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 1x9l n GLY 133 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x9l s ARG 134 N 0.00 0.92 -0.40 1.61 1.81 -0.88 -4.98 118.95 117.03 1x9l s ARG 134 Ca 0.00 -1.08 0.10 0.00 -1.72 0.00 0.00 55.73 53.03 1x9l s ARG 134 Cb 0.00 -0.90 0.37 0.00 -0.45 0.00 0.00 34.95 33.97 1x9l s ARG 134 CO 0.00 0.19 1.08 2.41 -0.68 0.00 0.00 175.30 178.30 1x9l n THR 135 N 0.97 0.12 -2.83 0.02 -1.04 -1.26 -3.63 114.28 106.64 1x9l n THR 135 Ca -0.19 -2.38 -0.41 0.00 -2.04 0.00 0.00 64.05 59.03 1x9l n THR 135 Cb 0.55 0.87 -0.04 0.00 -1.82 0.00 0.00 70.33 69.89 1x9l n THR 135 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1x9l s LEU 136 N -2.70 4.32 -0.59 -4.42 1.02 -1.25 -4.87 118.68 110.19 1x9l s LEU 136 Ca 0.26 1.45 0.05 0.00 0.02 0.00 0.00 54.13 55.92 1x9l s LEU 136 Cb 0.36 -3.38 0.32 0.00 0.02 0.00 0.00 46.19 43.51 1x9l s LEU 136 CO -0.05 -0.25 0.89 -0.46 0.02 0.00 0.00 176.35 176.50 1x9l n ASN 137 N 4.14 4.17 -4.86 2.29 0.23 -1.25 -0.79 115.26 119.20 1x9l n ASN 137 Ca 0.04 -3.60 -0.31 0.00 -0.53 0.00 0.00 54.58 50.17 1x9l n ASN 137 Cb 0.51 -0.59 -0.04 0.00 -2.08 0.00 0.00 39.78 37.58 1x9l n ASN 137 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1x9l s VAL 138 N -3.92 4.69 -0.39 3.53 1.01 0.63 -4.52 120.40 121.43 1x9l s VAL 138 Ca 0.46 0.86 -0.28 0.00 0.00 0.00 0.00 61.98 63.02 1x9l s VAL 138 Cb 0.25 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.96 1x9l s VAL 138 CO -0.11 -0.47 1.08 0.00 0.00 0.00 0.00 175.10 175.60 1x9l s ALA 139 N -2.33 3.34 0.03 5.51 0.00 -1.26 -0.10 121.76 126.95 1x9l s ALA 139 Ca 0.54 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.23 1x9l s ALA 139 Cb -0.10 -3.74 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 1x9l s ALA 139 CO 0.27 -1.83 0.00 0.00 0.00 0.00 0.00 175.76 174.21 1x9l s ALA 140 N 3.95 3.30 -0.19 0.00 0.00 0.28 -4.52 121.76 124.58 1x9l s ALA 140 Ca 0.45 -1.00 -0.08 0.00 0.00 0.00 0.00 51.96 51.34 1x9l s ALA 140 Cb -0.10 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 1x9l s ALA 140 CO 0.23 0.67 0.07 0.99 0.00 0.00 0.00 175.76 177.71 1x9l s THR 141 N -1.16 4.78 -0.88 0.00 2.01 -0.81 -0.60 115.64 118.98 1x9l s THR 141 Ca 0.22 -0.03 -0.19 0.00 0.31 0.00 0.00 61.69 61.99 1x9l s THR 141 Cb -0.12 -3.17 0.12 0.00 0.01 0.00 0.00 72.50 69.35 1x9l s THR 141 CO 0.13 0.44 1.09 -0.69 -0.69 0.00 0.00 174.62 174.90 1x9l s VAL 142 N 0.54 4.66 -0.22 3.82 1.01 0.12 -0.63 120.40 129.70 1x9l s VAL 142 Ca 0.03 -1.37 -0.17 0.00 0.00 0.00 0.00 61.98 60.48 1x9l s VAL 142 Cb -0.13 -4.76 0.06 0.00 0.00 0.00 0.00 36.38 31.55 1x9l s VAL 142 CO 0.01 -1.49 0.56 -1.59 0.00 0.00 0.00 175.10 172.58 1x9l s LYS 143 N 2.92 0.61 0.27 2.72 -2.85 1.00 -0.26 119.74 124.15 1x9l s LYS 143 Ca 0.31 0.88 -0.00 0.00 -1.00 0.00 0.00 55.97 56.15 1x9l s LYS 143 Cb -0.07 0.21 0.61 0.00 -2.06 0.00 0.00 37.83 36.52 1x9l s LYS 143 CO -0.06 -0.11 1.68 -0.22 0.10 0.00 0.00 175.35 176.74 1x9l h LYS 144 N 6.01 0.29 -3.73 1.78 3.64 -1.72 -3.34 116.57 119.49 1x9l h LYS 144 Ca -0.30 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1x9l h LYS 144 Cb 1.19 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1x9l h LYS 144 CO 0.18 0.19 -0.10 -1.71 -2.27 0.00 0.00 179.45 175.74 1x9l n ASN 145 N -5.14 -3.87 -3.71 4.20 5.15 -1.26 -4.23 115.26 106.39 1x9l n ASN 145 Ca 0.19 0.10 -0.23 0.00 -0.60 0.00 0.00 54.58 54.04 1x9l n ASN 145 Cb 0.58 -2.39 0.04 0.00 -0.53 0.00 0.00 39.78 37.48 1x9l n ASN 145 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1x9l n ILE 146 N -0.74 -4.04 -3.59 -1.44 2.08 -1.26 -4.97 119.36 105.40 1x9l n ILE 146 Ca 0.02 -0.37 -0.29 0.00 0.56 0.00 0.00 62.75 62.68 1x9l n ILE 146 Cb 0.28 -3.73 -0.15 0.00 -0.75 0.00 0.00 39.64 35.29 1x9l n ILE 146 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1x9l s GLU 147 N -6.07 0.31 0.00 0.38 2.12 -1.26 -4.79 118.70 109.39 1x9l s GLU 147 Ca 0.17 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.88 1x9l s GLU 147 Cb -0.09 -1.39 0.00 0.00 0.26 0.00 0.00 34.13 32.92 1x9l s GLU 147 CO 0.80 -0.99 0.00 0.41 -0.54 0.00 0.00 175.26 174.94 1x9l n GLY 148 N 5.16 4.29 0.00 -1.50 0.00 -1.26 -4.92 105.19 106.95 1x9l n GLY 148 Ca -0.05 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1x9l n GLY 148 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19