#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 -2.80 3.54 3.03 0.00 -1.26 -5.13 105.19 102.58 1x9l n GLY 2 Ca 0.00 -1.31 -0.07 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.93 -0.28 0.28 1.61 5.65 -1.26 -5.20 115.29 112.17 1x9l s HIS 3 Ca 0.00 0.21 -0.19 0.00 0.25 0.00 0.00 55.06 55.33 1x9l s HIS 3 Cb 0.00 0.52 0.07 0.00 -1.18 0.00 0.00 32.58 31.99 1x9l s HIS 3 CO 0.00 -0.41 0.92 -0.08 -0.65 0.00 0.00 174.74 174.52 1x9l s THR 4 N -2.68 0.00 -0.45 0.89 -1.32 -1.26 -5.12 115.64 105.70 1x9l s THR 4 Ca 0.06 -0.78 0.04 0.00 -1.21 0.00 0.00 61.69 59.80 1x9l s THR 4 Cb -0.01 -2.87 0.25 0.00 -1.51 0.00 0.00 72.50 68.37 1x9l s THR 4 CO -0.07 0.00 0.98 0.80 -2.21 0.00 0.00 174.62 174.13 1x9l n MET 5 N -0.62 0.66 -2.30 7.08 0.00 -1.26 -5.15 117.12 115.53 1x9l n MET 5 Ca -0.06 -1.52 -0.41 0.00 -0.00 0.00 0.00 57.70 55.71 1x9l n MET 5 Cb 0.60 -1.17 -0.03 0.00 0.00 0.00 0.00 33.22 32.61 1x9l n MET 5 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1x9l s PRO 6 N 0.54 4.46 0.03 2.12 0.04 -1.26 -5.03 135.00 135.91 1x9l s PRO 6 Ca 0.30 1.98 -0.27 0.00 0.04 0.00 0.00 61.00 63.05 1x9l s PRO 6 Cb 0.23 -3.18 0.08 0.00 0.04 0.00 0.00 34.50 31.67 1x9l s PRO 6 CO -0.20 -0.10 0.72 0.00 0.04 0.00 0.00 177.00 177.45 1x9l s ALA 7 N -0.42 -1.73 0.16 8.56 0.00 -1.26 -5.19 121.76 121.88 1x9l s ALA 7 Ca 0.52 0.97 -0.24 0.00 0.00 0.00 0.00 51.96 53.21 1x9l s ALA 7 Cb -0.35 0.34 0.06 0.00 0.00 0.00 0.00 23.12 23.17 1x9l s ALA 7 CO 0.41 -0.57 0.85 -1.58 0.00 0.00 0.00 175.76 174.87 1x9l s HIS 8 N -2.49 -0.23 -0.43 0.00 2.46 -1.26 -5.13 115.29 108.21 1x9l s HIS 8 Ca -0.03 -0.07 0.04 0.00 0.47 0.00 0.00 55.06 55.47 1x9l s HIS 8 Cb -0.01 0.63 0.27 0.00 -0.13 0.00 0.00 32.58 33.35 1x9l s HIS 8 CO -0.03 -0.88 1.08 -2.37 -2.47 0.00 0.00 174.74 170.07 1x9l n THR 9 N -0.42 0.00 -2.12 0.89 5.66 -1.26 -5.14 114.28 111.90 1x9l n THR 9 Ca -0.07 -1.20 -0.43 0.00 -3.05 0.00 0.00 64.05 59.31 1x9l n THR 9 Cb 0.61 1.35 -0.03 0.00 -1.55 0.00 0.00 70.33 70.71 1x9l n THR 9 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1x9l s PRO 10 N 0.40 4.11 0.49 1.09 0.04 -1.26 -4.99 135.00 134.88 1x9l s PRO 10 Ca 0.27 1.96 -0.18 0.00 0.04 0.00 0.00 61.00 63.10 1x9l s PRO 10 Cb 0.24 -3.95 -0.09 0.00 0.04 0.00 0.00 34.50 30.75 1x9l s PRO 10 CO -0.16 -0.91 0.98 -1.25 0.04 0.00 0.00 177.00 175.69 1x9l s PRO 11 N 4.05 4.02 -0.20 0.56 0.04 -1.26 -5.08 135.00 137.13 1x9l s PRO 11 Ca 0.69 1.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.49 1x9l s PRO 11 Cb -0.29 -2.15 0.07 0.00 0.04 0.00 0.00 34.50 32.17 1x9l s PRO 11 CO 0.26 -0.21 0.68 0.00 0.04 0.00 0.00 177.00 177.77 1x9l s ALA 12 N -2.48 -1.71 -0.06 8.56 0.00 -1.26 -5.18 121.76 119.63 1x9l s ALA 12 Ca 0.60 1.74 -0.31 0.00 0.00 0.00 0.00 51.96 53.99 1x9l s ALA 12 Cb -0.10 -0.79 0.11 0.00 0.00 0.00 0.00 23.12 22.34 1x9l s ALA 12 CO 0.26 -0.34 1.06 1.14 0.00 0.00 0.00 175.76 177.88 1x9l s GLN 13 N -0.11 0.61 0.13 0.00 -2.07 -1.26 -5.20 119.66 111.77 1x9l s GLN 13 Ca -0.03 -0.26 -0.19 0.00 -1.82 0.00 0.00 55.36 53.05 1x9l s GLN 13 Cb -0.03 0.26 0.07 0.00 -1.09 0.00 0.00 33.01 32.22 1x9l s GLN 13 CO 0.04 -0.27 0.92 -2.37 -1.32 0.00 0.00 175.29 172.29 1x9l n THR 14 N -0.24 0.00 -2.70 3.63 5.66 -1.26 -5.13 114.28 114.24 1x9l n THR 14 Ca -0.05 -0.43 -0.06 0.00 -3.05 0.00 0.00 64.05 60.45 1x9l n THR 14 Cb 0.60 0.64 0.08 0.00 -1.55 0.00 0.00 70.33 70.11 1x9l n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x9l n ALA 15 N -1.10 -2.20 -2.28 1.79 0.00 -1.26 -5.14 120.51 110.32 1x9l n ALA 15 Ca -0.12 -0.91 -0.42 0.00 0.00 0.00 0.00 53.44 51.99 1x9l n ALA 15 Cb 0.50 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 1x9l n ALA 15 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x9l s PRO 16 N 0.30 4.34 -0.06 0.00 0.04 -1.26 -5.01 135.00 133.35 1x9l s PRO 16 Ca 0.26 1.93 -0.31 0.00 0.04 0.00 0.00 61.00 62.91 1x9l s PRO 16 Cb 0.25 -3.40 0.07 0.00 0.04 0.00 0.00 34.50 31.47 1x9l s PRO 16 CO -0.15 -0.43 0.70 0.00 0.04 0.00 0.00 177.00 177.16 1x9l s ALA 17 N 1.58 -1.78 -0.07 8.56 0.00 -1.26 -5.18 121.76 123.61 1x9l s ALA 17 Ca 0.62 1.36 -0.30 0.00 0.00 0.00 0.00 51.96 53.64 1x9l s ALA 17 Cb -0.32 -0.08 0.11 0.00 0.00 0.00 0.00 23.12 22.83 1x9l s ALA 17 CO 0.28 -0.36 0.97 0.00 0.00 0.00 0.00 175.76 176.65 1x9l s ALA 18 N -1.14 -1.89 0.06 0.00 0.00 -1.26 -5.20 121.76 112.33 1x9l s ALA 18 Ca -0.10 1.22 -0.26 0.00 0.00 0.00 0.00 51.96 52.82 1x9l s ALA 18 Cb -0.00 0.14 0.08 0.00 0.00 0.00 0.00 23.12 23.34 1x9l s ALA 18 CO 0.09 -0.61 0.73 -1.14 0.00 0.00 0.00 175.76 174.83 1x9l s GLN 19 N -2.68 1.06 0.34 0.00 2.00 -1.26 -5.19 119.66 113.92 1x9l s GLN 19 Ca 0.05 -0.27 -0.18 0.00 -2.00 0.00 0.00 55.36 52.96 1x9l s GLN 19 Cb -0.01 0.49 0.04 0.00 0.80 0.00 0.00 33.01 34.33 1x9l s GLN 19 CO -0.07 -0.44 0.75 0.15 -0.50 0.00 0.00 175.29 175.18 1x9l s LYS 20 N -3.02 2.03 0.22 1.67 1.02 -1.26 -5.20 119.74 115.19 1x9l s LYS 20 Ca 0.00 -1.24 -0.22 0.00 0.02 0.00 0.00 55.97 54.53 1x9l s LYS 20 Cb -0.01 0.61 0.07 0.00 -0.52 0.00 0.00 37.83 37.98 1x9l s LYS 20 CO -0.08 -0.94 0.96 0.00 -0.92 0.00 0.00 175.35 174.37 1x9l s ALA 21 N -3.06 -1.44 0.13 5.17 0.00 -1.26 -5.19 121.76 116.11 1x9l s ALA 21 Ca 0.14 -0.27 -0.24 0.00 0.00 0.00 0.00 51.96 51.59 1x9l s ALA 21 Cb -0.05 0.71 0.07 0.00 0.00 0.00 0.00 23.12 23.85 1x9l s ALA 21 CO 0.10 -1.04 0.70 0.20 0.00 0.00 0.00 175.76 175.71 1x9l s GLY 22 N -3.18 -0.51 0.07 0.00 0.00 -1.26 -5.20 107.32 97.24 1x9l s GLY 22 Ca 0.17 0.51 -0.10 0.00 0.00 0.00 0.00 44.72 45.31 1x9l s GLY 22 CO 0.06 0.17 0.45 0.00 0.00 0.00 0.00 173.10 173.78 1x9l n ALA 23 N -0.36 -1.20 -0.49 3.20 0.00 -1.26 -5.18 120.51 115.21 1x9l n ALA 23 Ca -0.13 -0.42 0.07 0.00 0.00 0.00 0.00 53.44 52.95 1x9l n ALA 23 Cb 0.63 0.22 -0.02 0.00 0.00 0.00 0.00 19.45 20.28 1x9l n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1x9l n GLN 24 N -0.32 -1.03 -3.83 0.00 6.02 -1.26 -5.10 117.38 111.86 1x9l n GLN 24 Ca -0.01 0.72 -0.07 0.00 -0.01 0.00 0.00 57.00 57.64 1x9l n GLN 24 Cb 0.25 -1.24 0.02 0.00 1.02 0.00 0.00 30.24 30.28 1x9l n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x9l s ALA 25 N -1.88 -1.00 -0.15 -1.58 0.00 -1.26 -5.19 121.76 110.70 1x9l s ALA 25 Ca 0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 51.96 51.27 1x9l s ALA 25 Cb 0.00 0.71 0.05 0.00 0.00 0.00 0.00 23.12 23.87 1x9l s ALA 25 CO 0.00 -1.01 0.37 -1.17 0.00 0.00 0.00 175.76 173.95 1x9l s LEU 26 N -3.12 0.30 0.61 0.00 0.20 -1.26 -5.16 118.68 110.25 1x9l s LEU 26 Ca 0.16 0.77 -0.16 0.00 0.69 0.00 0.00 54.13 55.59 1x9l s LEU 26 Cb -0.05 1.23 -0.03 0.00 -0.43 0.00 0.00 46.19 46.92 1x9l s LEU 26 CO 0.09 -0.16 1.10 -2.16 -0.29 0.00 0.00 176.35 174.93 1x9l s PRO 27 N 0.80 3.11 -0.64 0.98 0.04 -1.26 -4.63 135.00 133.39 1x9l s PRO 27 Ca -0.05 1.40 -0.07 0.00 0.04 0.00 0.00 61.00 62.32 1x9l s PRO 27 Cb -0.06 -1.99 -0.13 0.00 0.04 0.00 0.00 34.50 32.36 1x9l s PRO 27 CO -0.06 -1.01 3.20 1.33 0.04 0.00 0.00 177.00 180.50 1x9l n VAL 28 N -1.99 3.62 -2.88 -0.36 0.24 -1.26 -4.35 118.33 111.36 1x9l n VAL 28 Ca 0.10 -2.30 -0.12 0.00 -2.04 0.00 0.00 64.34 59.98 1x9l n VAL 28 Cb 0.52 -2.11 0.05 0.00 -1.47 0.00 0.00 33.84 30.83 1x9l n VAL 28 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1x9l n THR 29 N 2.45 -0.04 -2.74 3.34 -2.24 -1.26 -4.20 114.28 109.60 1x9l n THR 29 Ca 0.55 -2.54 -0.26 0.00 -2.27 0.00 0.00 64.05 59.54 1x9l n THR 29 Cb 0.61 0.89 -0.02 0.00 -2.10 0.00 0.00 70.33 69.71 1x9l n THR 29 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1x9l n VAL 30 N 0.29 2.57 -3.88 2.28 3.14 -1.26 -5.02 118.33 116.45 1x9l n VAL 30 Ca 0.12 -5.17 -0.37 0.00 -2.96 0.00 0.00 64.34 55.96 1x9l n VAL 30 Cb 0.69 -1.22 -0.07 0.00 -1.06 0.00 0.00 33.84 32.19 1x9l n VAL 30 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x9l s GLN 31 N -3.45 3.55 0.00 1.45 0.00 -1.26 -4.84 119.66 115.10 1x9l s GLN 31 Ca 0.47 -0.16 0.00 0.00 -0.00 0.00 0.00 55.36 55.67 1x9l s GLN 31 Cb 0.34 -3.21 0.00 0.00 0.00 0.00 0.00 33.01 30.14 1x9l s GLN 31 CO -0.15 0.69 0.00 0.41 0.00 0.00 0.00 175.29 176.24 1x9l n GLY 32 N 2.25 1.04 3.59 2.60 0.00 -1.26 -5.07 105.19 108.34 1x9l n GLY 32 Ca -0.19 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 1x9l n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x9l s ALA 33 N -3.67 -1.77 0.08 4.61 0.00 -1.25 -4.96 121.76 114.81 1x9l s ALA 33 Ca 0.00 1.76 0.03 0.00 0.00 0.00 0.00 51.96 53.75 1x9l s ALA 33 Cb 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 1x9l s ALA 33 CO 0.00 -0.35 -0.10 0.95 0.00 0.00 0.00 175.76 176.26 1x9l s THR 34 N -0.20 0.85 -0.02 0.00 -4.23 -1.20 -1.70 115.64 109.15 1x9l s THR 34 Ca -0.04 -1.48 0.05 0.00 -1.18 0.00 0.00 61.69 59.04 1x9l s THR 34 Cb -0.03 -1.16 -0.01 0.00 1.34 0.00 0.00 72.50 72.64 1x9l s THR 34 CO 0.04 -0.49 -0.15 -0.69 -0.54 0.00 0.00 174.62 172.79 1x9l s VAL 35 N -2.10 1.22 0.00 2.29 1.01 0.62 -0.29 120.40 123.15 1x9l s VAL 35 Ca 0.01 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1x9l s VAL 35 Cb -0.05 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.30 1x9l s VAL 35 CO 0.00 0.35 1.34 0.00 0.00 0.00 0.00 175.10 176.79 1x9l n ALA 36 N 2.82 3.13 0.00 5.51 0.00 -1.00 -0.80 120.51 130.17 1x9l n ALA 36 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1x9l n ALA 36 Cb 0.54 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 1.40 0.00 -3.25 0.00 0.00 -0.59 -2.93 120.51 115.13 1x9l n ALA 37 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1x9l n ALA 37 Cb 0.38 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.70 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 3.77 0.92 0.00 1.01 -1.26 -4.68 120.40 120.17 1x9l s VAL 38 Ca 0.00 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 1x9l s VAL 38 Cb 0.00 -3.05 0.15 0.00 0.00 0.00 0.00 36.38 33.48 1x9l s VAL 38 CO 0.00 -0.06 1.14 -2.84 0.00 0.00 0.00 175.10 173.34 1x9l s PRO 39 N 1.43 0.94 -1.21 2.72 0.02 -1.15 -4.85 135.00 132.90 1x9l s PRO 39 Ca -0.00 1.51 -0.09 0.00 0.02 0.00 0.00 61.00 62.43 1x9l s PRO 39 Cb -0.18 -1.72 -0.07 0.00 0.02 0.00 0.00 34.50 32.55 1x9l s PRO 39 CO 0.02 -2.67 2.42 -0.35 -0.33 0.00 0.00 177.00 176.09 1x9l n PRO 40 N -4.26 2.70 -2.72 5.54 -0.04 -1.26 -4.12 135.00 130.84 1x9l n PRO 40 Ca 0.11 -1.86 -0.08 0.00 -0.04 0.00 0.00 63.50 61.63 1x9l n PRO 40 Cb 0.52 -2.69 0.09 0.00 -0.04 0.00 0.00 33.50 31.38 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 4.42 -2.22 -0.23 3.54 3.41 -1.26 -5.14 113.62 116.14 1x9l n SER 41 Ca 0.58 -3.26 0.02 0.00 -0.26 0.00 0.00 58.87 55.95 1x9l n SER 41 Cb 0.21 1.74 -0.01 0.00 -0.26 0.00 0.00 64.21 65.90 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 0.66 -0.25 -0.21 -1.33 5.41 -1.26 -4.48 119.36 117.90 1x9l n ILE 42 Ca 0.04 0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.97 1x9l n ILE 42 Cb 0.70 -0.27 0.00 0.00 -0.71 0.00 0.00 39.64 39.36 1x9l n ILE 42 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 1x9l n ARG 43 N -2.12 0.60 -4.06 0.38 1.85 -1.26 -4.64 116.66 107.41 1x9l n ARG 43 Ca -0.01 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.61 1x9l n ARG 43 Cb 0.09 -1.20 -0.04 0.00 -1.05 0.00 0.00 32.46 30.26 1x9l n ARG 43 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 1x9l s ASP 44 N 1.90 5.77 0.00 2.89 1.47 -1.26 -0.44 116.67 127.00 1x9l s ASP 44 Ca 0.00 -0.12 0.00 0.00 1.18 0.00 0.00 52.55 53.61 1x9l s ASP 44 Cb 0.00 -1.56 0.00 0.00 -0.34 0.00 0.00 42.92 41.02 1x9l s ASP 44 CO 0.00 -0.01 0.00 1.07 0.68 0.00 0.00 175.17 176.91 1x9l n THR 45 N -0.99 0.00 -3.87 2.11 5.66 -1.26 -4.36 114.28 111.57 1x9l n THR 45 Ca -0.08 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.83 1x9l n THR 45 Cb 0.57 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.27 1x9l n THR 45 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x9l s ALA 46 N -1.17 -0.20 0.61 1.79 0.00 -1.26 -3.82 121.76 117.71 1x9l s ALA 46 Ca 0.00 -0.65 -0.09 0.00 0.00 0.00 0.00 51.96 51.22 1x9l s ALA 46 Cb 0.00 0.52 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 1x9l s ALA 46 CO 0.00 -0.52 0.98 0.00 0.00 0.00 0.00 175.76 176.22 1x9l s ALA 47 N -3.87 3.14 -0.28 0.00 0.00 -0.79 -2.37 121.76 117.60 1x9l s ALA 47 Ca 0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 1x9l s ALA 47 Cb 0.05 -2.89 0.09 0.00 0.00 0.00 0.00 23.12 20.36 1x9l s ALA 47 CO -0.10 -0.75 0.09 0.71 0.00 0.00 0.00 175.76 175.72 1x9l s TYR 48 N -3.11 1.17 0.00 0.00 1.51 0.61 -3.56 117.35 113.97 1x9l s TYR 48 Ca 0.54 -1.29 0.00 0.00 -1.01 0.00 0.00 57.07 55.31 1x9l s TYR 48 Cb -0.11 -1.33 0.00 0.00 -0.11 0.00 0.00 41.96 40.41 1x9l s TYR 48 CO 0.50 -0.80 0.00 -0.12 -1.11 0.00 0.00 175.55 174.02 1x9l n MET 49 N 5.00 0.00 -3.69 -0.62 1.56 -0.23 -3.23 117.12 115.92 1x9l n MET 49 Ca -0.05 0.00 -0.12 0.00 -0.27 0.00 0.00 57.70 57.26 1x9l n MET 49 Cb 0.43 0.00 -0.12 0.00 2.15 0.00 0.00 33.22 35.68 1x9l n MET 49 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1x9l s THR 50 N -2.91 -0.26 -0.03 1.12 2.01 -1.26 -0.49 115.64 113.83 1x9l s THR 50 Ca 0.00 0.20 -0.28 0.00 0.31 0.00 0.00 61.69 61.92 1x9l s THR 50 Cb 0.00 -0.46 -0.03 0.00 0.01 0.00 0.00 72.50 72.02 1x9l s THR 50 CO 0.00 0.08 0.89 -0.76 -0.69 0.00 0.00 174.62 174.14 1x9l s LEU 51 N 1.90 4.34 -0.41 4.42 2.01 0.09 -4.24 118.68 126.80 1x9l s LEU 51 Ca -0.04 1.49 0.03 0.00 0.01 0.00 0.00 54.13 55.63 1x9l s LEU 51 Cb -0.11 -3.41 0.11 0.00 0.01 0.00 0.00 46.19 42.80 1x9l s LEU 51 CO -0.09 -0.23 0.15 -0.89 1.01 0.00 0.00 176.35 176.29 1x9l s THR 52 N 1.03 2.22 -1.21 5.49 2.01 -1.26 -1.59 115.64 122.33 1x9l s THR 52 Ca 0.47 -2.66 -0.08 0.00 0.31 0.00 0.00 61.69 59.73 1x9l s THR 52 Cb -0.20 -2.60 -0.10 0.00 0.01 0.00 0.00 72.50 69.61 1x9l s THR 52 CO 0.24 -0.70 2.77 0.59 -0.69 0.00 0.00 174.62 176.83 1x9l n ASN 53 N 3.82 7.16 -3.25 3.53 3.02 -1.11 -4.17 115.26 124.25 1x9l n ASN 53 Ca 0.04 -2.47 -0.37 0.00 -0.03 0.00 0.00 54.58 51.75 1x9l n ASN 53 Cb 0.38 -1.39 -0.03 0.00 -0.61 0.00 0.00 39.78 38.13 1x9l n ASN 53 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1x9l n LYS 54 N 3.61 3.88 0.00 3.52 4.81 -1.26 -3.42 118.16 129.31 1x9l n LYS 54 Ca 0.64 -2.61 0.00 0.00 -0.87 0.00 0.00 58.31 55.47 1x9l n LYS 54 Cb 0.28 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.67 1x9l n LYS 54 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1x9l n SER 55 N 2.68 0.00 -2.26 3.14 2.88 -1.26 -4.59 113.62 114.20 1x9l n SER 55 Ca 0.69 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 58.21 1x9l n SER 55 Cb 0.29 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 1x9l n SER 55 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1x9l n ASP 56 N -0.12 -5.57 -3.79 -3.46 8.00 -1.22 -5.02 116.55 105.37 1x9l n ASP 56 Ca 0.00 0.58 -0.13 0.00 0.71 0.00 0.00 54.79 55.95 1x9l n ASP 56 Cb 0.00 -3.61 -0.10 0.00 -0.02 0.00 0.00 41.12 37.39 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 -1.49 0.44 -0.65 -1.24 1.11 -1.26 -4.86 119.66 111.71 1x9l s GLN 57 Ca 0.08 0.09 -0.23 0.00 0.01 0.00 0.00 55.36 55.32 1x9l s GLN 57 Cb -0.02 0.20 0.07 0.00 -1.01 0.00 0.00 33.01 32.25 1x9l s GLN 57 CO 0.46 -0.09 0.95 -1.25 0.01 0.00 0.00 175.29 175.38 1x9l s PRO 58 N -0.50 3.13 -0.38 2.91 0.04 -1.26 -3.38 135.00 135.56 1x9l s PRO 58 Ca -0.06 -0.79 -0.03 0.00 0.04 0.00 0.00 61.00 60.15 1x9l s PRO 58 Cb -0.04 -4.21 0.09 0.00 0.04 0.00 0.00 34.50 30.38 1x9l s PRO 58 CO 0.02 -1.77 0.16 0.42 0.04 0.00 0.00 177.00 175.86 1x9l s ILE 59 N 4.01 3.35 -0.80 0.56 1.09 -0.89 -4.94 121.20 123.58 1x9l s ILE 59 Ca 0.22 -1.77 -0.24 0.00 -1.10 0.00 0.00 60.65 57.76 1x9l s ILE 59 Cb -0.17 -3.16 0.05 0.00 -1.06 0.00 0.00 42.46 38.13 1x9l s ILE 59 CO 0.11 -0.50 1.22 -1.59 -0.10 0.00 0.00 174.94 174.08 1x9l s LYS 60 N 1.21 3.30 -0.14 2.79 -2.85 -1.26 -3.99 119.74 118.80 1x9l s LYS 60 Ca 0.04 -0.74 -0.28 0.00 -1.00 0.00 0.00 55.97 54.00 1x9l s LYS 60 Cb -0.22 -4.53 -0.01 0.00 -2.06 0.00 0.00 37.83 31.01 1x9l s LYS 60 CO -0.02 -2.04 0.93 -0.48 0.10 0.00 0.00 175.35 173.83 1x9l s LEU 61 N 4.84 4.21 -0.37 2.77 -0.00 -1.25 -2.19 118.68 126.70 1x9l s LEU 61 Ca 0.34 1.36 0.13 0.00 -0.00 0.00 0.00 54.13 55.96 1x9l s LEU 61 Cb -0.08 -3.41 0.39 0.00 -0.00 0.00 0.00 46.19 43.09 1x9l s LEU 61 CO 0.06 -0.43 0.96 0.55 -0.00 0.00 0.00 176.35 177.48 1x9l n VAL 62 N 4.66 0.31 -3.57 1.48 3.14 0.35 -4.38 118.33 120.31 1x9l n VAL 62 Ca 0.07 -3.14 -0.16 0.00 -2.96 0.00 0.00 64.34 58.15 1x9l n VAL 62 Cb 0.49 0.51 -0.06 0.00 -1.06 0.00 0.00 33.84 33.71 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 -2.35 -0.55 -0.46 7.55 0.00 -0.91 -4.55 107.32 106.04 1x9l s GLY 63 Ca 0.30 1.67 0.06 0.00 0.00 0.00 0.00 44.72 46.75 1x9l s GLY 63 CO -0.03 1.33 0.97 0.00 0.00 0.00 0.00 173.10 175.37 1x9l n ALA 64 N 1.73 -0.73 -1.88 3.20 0.00 -1.24 -3.70 120.51 117.90 1x9l n ALA 64 Ca -0.17 -1.65 -0.34 0.00 0.00 0.00 0.00 53.44 51.29 1x9l n ALA 64 Cb 0.56 -1.21 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 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 0.22 3.12 -0.15 0.00 0.00 0.64 -4.82 121.76 120.77 1x9l s ALA 65 Ca 0.28 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.29 1x9l s ALA 65 Cb 0.26 -3.08 0.13 0.00 0.00 0.00 0.00 23.12 20.43 1x9l s ALA 65 CO -0.14 0.18 1.02 -0.08 0.00 0.00 0.00 175.76 176.74 1x9l s THR 66 N -2.05 0.00 -1.65 0.00 -1.32 -1.26 -0.04 115.64 109.32 1x9l s THR 66 Ca 0.58 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 61.35 1x9l s THR 66 Cb -0.11 -1.00 0.63 0.00 -1.51 0.00 0.00 72.50 70.51 1x9l s THR 66 CO 0.15 0.00 2.03 -0.81 -2.21 0.00 0.00 174.62 173.78 1x9l n PRO 67 N 0.54 0.60 -0.12 7.08 -0.04 -1.26 -4.40 135.00 137.41 1x9l n PRO 67 Ca -0.09 0.01 -0.17 0.00 -0.04 0.00 0.00 63.50 63.21 1x9l n PRO 67 Cb 0.58 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.18 2.92 -4.67 1.53 7.94 -1.26 -4.02 117.00 118.26 1x9l n LEU 68 Ca 0.17 -0.11 -0.36 0.00 -1.11 0.00 0.00 56.01 54.60 1x9l n LEU 68 Cb 0.18 -0.82 -0.09 0.00 0.53 0.00 0.00 43.42 43.21 1x9l n LEU 68 CO 0.20 0.88 -0.18 0.00 -1.11 0.00 0.00 177.39 177.18 1x9l s ALA 69 N -2.47 3.61 0.25 1.96 0.00 -1.26 -1.08 121.76 122.76 1x9l s ALA 69 Ca -0.32 -0.84 0.09 0.00 0.00 0.00 0.00 51.96 50.88 1x9l s ALA 69 Cb 0.08 -2.27 0.29 0.00 0.00 0.00 0.00 23.12 21.23 1x9l s ALA 69 CO 0.54 -0.11 1.58 1.15 0.00 0.00 0.00 175.76 178.92 1x9l h THR 70 N 4.95 1.45 -2.09 0.00 2.02 -1.46 -3.39 112.91 114.38 1x9l h THR 70 Ca -0.39 -2.18 -0.57 0.00 0.77 0.00 0.00 66.41 64.05 1x9l h THR 70 Cb 1.17 2.16 -0.40 0.00 -1.74 0.00 0.00 68.15 69.34 1x9l h THR 70 CO 0.68 0.63 -0.90 -1.20 0.37 0.00 0.00 175.52 175.10 1x9l n SER 71 N -3.79 1.93 -4.62 4.18 7.64 0.46 -4.98 113.62 114.43 1x9l n SER 71 Ca -0.01 -3.09 -0.43 0.00 1.01 0.00 0.00 58.87 56.35 1x9l n SER 71 Cb 0.64 -0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1x9l n SER 71 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1x9l s PRO 72 N -2.02 3.87 -0.01 1.43 0.04 -1.26 -3.07 135.00 133.99 1x9l s PRO 72 Ca 0.39 1.14 -0.01 0.00 0.04 0.00 0.00 61.00 62.55 1x9l s PRO 72 Cb 0.20 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.85 1x9l s PRO 72 CO -0.07 -1.18 0.03 -1.64 0.04 0.00 0.00 177.00 174.18 1x9l s MET 73 N 4.25 0.10 0.35 4.56 -1.94 -0.89 -4.95 119.30 120.77 1x9l s MET 73 Ca 0.55 -0.05 -0.17 0.00 -1.71 0.00 0.00 55.69 54.31 1x9l s MET 73 Cb -0.15 0.04 -0.10 0.00 2.01 0.00 0.00 34.83 36.63 1x9l s MET 73 CO 0.24 -0.02 0.80 -0.51 -0.01 0.00 0.00 175.02 175.53 1x9l s LEU 74 N -0.22 4.03 0.23 -0.03 1.43 -1.26 -0.26 118.68 122.60 1x9l s LEU 74 Ca -0.03 1.41 -0.12 0.00 -1.03 0.00 0.00 54.13 54.37 1x9l s LEU 74 Cb -0.02 -4.21 -0.01 0.00 0.03 0.00 0.00 46.19 41.99 1x9l s LEU 74 CO -0.00 -0.25 0.44 -0.32 0.23 0.00 0.00 176.35 176.45 1x9l s MET 75 N -3.01 1.48 0.06 1.70 1.75 0.11 -3.01 119.30 118.38 1x9l s MET 75 Ca 0.56 -1.26 -0.05 0.00 -1.25 0.00 0.00 55.69 53.69 1x9l s MET 75 Cb -0.10 0.45 -0.02 0.00 2.84 0.00 0.00 34.83 38.00 1x9l s MET 75 CO 0.16 -0.60 0.09 -0.08 -0.65 0.00 0.00 175.02 173.94 1x9l s THR 76 N -4.02 0.17 -0.44 10.11 -1.32 -1.17 -0.32 115.64 118.65 1x9l s THR 76 Ca 0.23 -1.38 0.08 0.00 -1.21 0.00 0.00 61.69 59.41 1x9l s THR 76 Cb 0.00 -1.30 0.33 0.00 -1.51 0.00 0.00 72.50 70.03 1x9l s THR 76 CO 0.08 -0.76 1.04 0.41 -2.21 0.00 0.00 174.62 173.18 1x9l n THR 77 N 0.20 -0.03 -3.67 5.08 -1.04 -0.94 -1.14 114.28 112.74 1x9l n THR 77 Ca -0.16 -2.19 -0.09 0.00 -2.04 0.00 0.00 64.05 59.57 1x9l n THR 77 Cb 0.61 1.09 -0.09 0.00 -1.82 0.00 0.00 70.33 70.12 1x9l n THR 77 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1x9l s THR 78 N -0.36 -0.01 0.13 12.58 -1.32 0.31 -3.54 115.64 123.43 1x9l s THR 78 Ca 0.26 0.04 -0.11 0.00 -1.21 0.00 0.00 61.69 60.67 1x9l s THR 78 Cb 0.31 -0.79 -0.09 0.00 -1.51 0.00 0.00 72.50 70.42 1x9l s THR 78 CO -0.06 0.02 1.41 0.45 -2.21 0.00 0.00 174.62 174.23 1x9l h HIS 79 N 6.90 1.08 -0.46 9.09 3.86 -1.93 -1.55 115.15 132.15 1x9l h HIS 79 Ca -0.33 -0.39 -0.02 0.00 -1.16 0.00 0.00 60.37 58.47 1x9l h HIS 79 Cb 1.20 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.45 1x9l h HIS 79 CO 0.17 1.22 0.22 0.77 0.86 0.00 0.00 177.93 181.17 1x9l h SER 80 N 0.66 0.61 0.00 2.45 0.02 -1.95 -3.44 113.55 111.89 1x9l h SER 80 Ca 0.01 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1x9l h SER 80 Cb 1.16 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1x9l h SER 80 CO 0.12 0.56 0.00 0.61 -1.14 0.00 0.00 176.83 176.99 1x9l n GLY 81 N -0.90 0.71 0.02 -3.77 0.00 -1.24 -5.01 105.19 95.01 1x9l n GLY 81 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 1x9l n GLY 81 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1x9l h GLY 82 N 0.00 -0.09 -3.12 -0.02 0.00 -1.85 -3.48 103.07 94.51 1x9l h GLY 82 Ca 0.00 0.03 0.19 0.00 0.00 0.00 0.00 47.33 47.55 1x9l h GLY 82 CO 0.00 -0.03 0.61 -0.29 0.00 0.00 0.00 176.54 176.83 1x9l s MET 83 N -3.13 0.74 -0.76 4.80 0.00 -0.59 -4.95 119.30 115.41 1x9l s MET 83 Ca -0.01 -0.33 -0.07 0.00 0.00 0.00 0.00 55.69 55.28 1x9l s MET 83 Cb 0.00 0.30 -0.09 0.00 0.00 0.00 0.00 34.83 35.04 1x9l s MET 83 CO 0.03 -0.33 3.08 0.00 0.00 0.00 0.00 175.02 177.80 1x9l n ALA 84 N -0.30 6.81 -3.24 4.11 0.00 -1.19 -0.53 120.51 126.16 1x9l n ALA 84 Ca -0.06 -2.90 -0.25 0.00 0.00 0.00 0.00 53.44 50.23 1x9l n ALA 84 Cb 0.61 -2.66 -0.06 0.00 0.00 0.00 0.00 19.45 17.34 1x9l n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x9l n GLY 85 N 2.37 4.16 2.51 0.00 0.00 -1.00 -4.89 105.19 108.34 1x9l n GLY 85 Ca 0.57 -2.25 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 1x9l n GLY 85 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1x9l n MET 86 N 0.77 3.43 -4.26 1.61 1.56 -0.29 -3.02 117.12 116.92 1x9l n MET 86 Ca 0.27 -2.49 -0.14 0.00 -0.27 0.00 0.00 57.70 55.06 1x9l n MET 86 Cb 0.48 -2.98 -0.10 0.00 2.15 0.00 0.00 33.22 32.77 1x9l n MET 86 CO 0.00 0.00 0.00 -1.59 -0.73 0.00 0.00 175.97 173.65 1x9l s LYS 87 N 2.27 1.27 -1.38 2.12 -2.85 -1.26 -4.97 119.74 114.93 1x9l s LYS 87 Ca 0.59 -1.66 -0.15 0.00 -1.00 0.00 0.00 55.97 53.75 1x9l s LYS 87 Cb 0.16 -0.08 0.07 0.00 -2.06 0.00 0.00 37.83 35.92 1x9l s LYS 87 CO -0.07 -0.29 2.00 -1.33 0.10 0.00 0.00 175.35 175.76 1x9l n MET 88 N -0.35 3.06 -1.32 1.78 2.81 -1.26 -4.40 117.12 117.44 1x9l n MET 88 Ca -0.01 -2.97 -0.31 0.00 -1.81 0.00 0.00 57.70 52.60 1x9l n MET 88 Cb 0.65 -3.31 0.08 0.00 -0.71 0.00 0.00 33.22 29.94 1x9l n MET 88 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1x9l s VAL 89 N 3.20 3.42 0.23 2.03 -7.23 -1.16 -4.96 120.40 115.92 1x9l s VAL 89 Ca 0.48 0.47 -0.15 0.00 -1.81 0.00 0.00 61.98 60.97 1x9l s VAL 89 Cb 0.10 -2.99 0.27 0.00 0.56 0.00 0.00 36.38 34.32 1x9l s VAL 89 CO -0.02 -0.59 1.58 1.55 -0.31 0.00 0.00 175.10 177.30 1x9l h PRO 90 N -1.03 -0.04 0.00 4.82 0.13 -1.93 -3.39 132.00 130.56 1x9l h PRO 90 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1x9l h PRO 90 Cb 1.23 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1x9l h PRO 90 CO 0.52 -0.03 0.00 -2.67 -0.23 0.00 0.00 178.00 175.59 1x9l n TRP 91 N -5.50 0.00 -4.69 1.56 -0.00 -1.26 -4.76 117.44 102.79 1x9l n TRP 91 Ca 0.10 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.37 1x9l n TRP 91 Cb 0.40 0.00 -0.15 0.00 -0.00 0.00 0.00 31.31 31.56 1x9l n TRP 91 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 1x9l s LEU 92 N 0.00 1.99 -0.73 5.67 2.01 -1.26 -4.91 118.68 121.45 1x9l s LEU 92 Ca 0.00 -0.27 -0.24 0.00 0.01 0.00 0.00 54.13 53.63 1x9l s LEU 92 Cb 0.00 -0.78 0.06 0.00 0.01 0.00 0.00 46.19 45.48 1x9l s LEU 92 CO 0.00 0.17 1.11 -0.89 1.01 0.00 0.00 176.35 177.75 1x9l s THR 93 N -0.24 4.13 -0.19 5.49 2.01 -1.26 -3.76 115.64 121.81 1x9l s THR 93 Ca 0.04 -0.23 -0.28 0.00 0.31 0.00 0.00 61.69 61.53 1x9l s THR 93 Cb -0.07 -4.80 -0.00 0.00 0.01 0.00 0.00 72.50 67.64 1x9l s THR 93 CO -0.00 -1.63 0.96 0.27 -0.69 0.00 0.00 174.62 173.54 1x9l s ILE 94 N 4.57 4.76 0.38 1.82 -5.25 -1.26 -4.96 121.20 121.27 1x9l s ILE 94 Ca 0.29 1.90 -0.06 0.00 -0.99 0.00 0.00 60.65 61.79 1x9l s ILE 94 Cb -0.12 -4.25 0.09 0.00 2.95 0.00 0.00 42.46 41.12 1x9l s ILE 94 CO 0.09 -0.08 0.52 -0.81 -1.79 0.00 0.00 174.94 172.86 1x9l n PRO 95 N 5.76 -0.38 -1.47 0.37 -0.04 -1.26 -2.09 135.00 135.89 1x9l n PRO 95 Ca 0.09 -0.88 -0.39 0.00 -0.04 0.00 0.00 63.50 62.28 1x9l n PRO 95 Cb 0.47 -0.51 0.03 0.00 -0.04 0.00 0.00 33.50 33.46 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 -3.28 -1.14 -0.61 0.55 0.00 -1.22 -0.38 120.51 114.43 1x9l n ALA 96 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1x9l n ALA 96 Cb 0.24 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 0.04 -1.39 -2.04 0.00 3.00 -1.26 -4.87 116.66 110.13 1x9l n ARG 97 Ca 0.11 0.25 -0.27 0.00 -0.01 0.00 0.00 57.85 57.94 1x9l n ARG 97 Cb 0.46 -4.08 -0.06 0.00 0.00 0.00 0.00 32.46 28.79 1x9l n ARG 97 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1x9l s GLY 98 N -1.45 0.11 -0.82 -0.13 0.00 0.49 -4.76 107.32 100.76 1x9l s GLY 98 Ca 0.00 -1.86 0.02 0.00 0.00 0.00 0.00 44.72 42.88 1x9l s GLY 98 CO 0.00 3.57 1.37 2.41 0.00 0.00 0.00 173.10 180.45 1x9l n THR 99 N 7.89 4.57 -2.89 0.90 -1.04 -1.26 -2.77 114.28 119.69 1x9l n THR 99 Ca 0.43 -5.77 -0.31 0.00 -2.04 0.00 0.00 64.05 56.36 1x9l n THR 99 Cb 0.47 -1.55 -0.04 0.00 -1.82 0.00 0.00 70.33 67.39 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 -3.77 3.86 -0.29 -4.42 1.02 -0.62 -4.87 118.68 109.58 1x9l s LEU 100 Ca 0.43 1.16 -0.02 0.00 0.02 0.00 0.00 54.13 55.72 1x9l s LEU 100 Cb 0.22 -4.03 0.04 0.00 0.02 0.00 0.00 46.19 42.44 1x9l s LEU 100 CO -0.11 -0.37 -0.00 0.42 0.02 0.00 0.00 176.35 176.30 1x9l s THR 101 N -2.32 3.02 -0.48 5.49 -4.23 -1.26 -0.73 115.64 115.13 1x9l s THR 101 Ca 0.52 -1.31 -0.27 0.00 -1.18 0.00 0.00 61.69 59.45 1x9l s THR 101 Cb -0.10 -2.70 0.03 0.00 1.34 0.00 0.00 72.50 71.07 1x9l s THR 101 CO 0.29 -0.06 1.03 -0.22 -0.54 0.00 0.00 174.62 175.12 1x9l s LEU 102 N 1.27 3.82 0.26 4.79 0.20 0.36 -3.73 118.68 125.66 1x9l s LEU 102 Ca -0.04 0.23 -0.16 0.00 0.69 0.00 0.00 54.13 54.84 1x9l s LEU 102 Cb -0.19 -3.32 0.01 0.00 -0.43 0.00 0.00 46.19 42.26 1x9l s LEU 102 CO -0.01 -1.17 0.59 0.00 -0.29 0.00 0.00 176.35 175.46 1x9l s GLN 103 N 4.14 1.66 0.25 1.98 -2.07 -0.01 -1.06 119.66 124.54 1x9l s GLN 103 Ca 0.41 -1.14 0.03 0.00 -1.82 0.00 0.00 55.36 52.85 1x9l s GLN 103 Cb -0.09 0.53 0.65 0.00 -1.09 0.00 0.00 33.01 33.01 1x9l s GLN 103 CO 0.28 -0.73 1.22 -2.13 -1.32 0.00 0.00 175.29 172.62 1x9l n ARG 104 N -0.42 -0.06 -3.63 9.60 0.00 -1.26 -3.00 116.66 117.90 1x9l n ARG 104 Ca -0.03 1.15 -0.29 0.00 -0.00 0.00 0.00 57.85 58.68 1x9l n ARG 104 Cb 0.61 -1.86 -0.15 0.00 0.00 0.00 0.00 32.46 31.06 1x9l n ARG 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1x9l s ASP 105 N -4.96 3.71 0.00 6.15 1.11 -1.26 -4.94 116.67 116.47 1x9l s ASP 105 Ca -0.10 -1.60 0.00 0.00 0.18 0.00 0.00 52.55 51.03 1x9l s ASP 105 Cb 0.23 -0.62 0.00 0.00 1.07 0.00 0.00 42.92 43.61 1x9l s ASP 105 CO 0.61 -0.41 0.00 0.61 1.18 0.00 0.00 175.17 177.16 1x9l n GLY 106 N 4.86 3.19 3.21 0.21 0.00 -1.16 -4.70 105.19 110.81 1x9l n GLY 106 Ca -0.02 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 -0.86 -4.56 1.61 2.03 -1.24 -0.83 116.55 112.69 1x9l n ASP 107 Ca 0.00 -0.22 -0.26 0.00 0.52 0.00 0.00 54.79 54.84 1x9l n ASP 107 Cb 0.00 -0.31 -0.10 0.00 -0.72 0.00 0.00 41.12 39.99 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 -3.29 2.43 -0.26 -0.67 -3.43 0.56 -3.95 115.29 106.67 1x9l s HIS 108 Ca 0.04 -0.48 -0.10 0.00 -0.80 0.00 0.00 55.06 53.72 1x9l s HIS 108 Cb -0.02 -1.39 -0.04 0.00 -1.43 0.00 0.00 32.58 29.69 1x9l s HIS 108 CO 0.18 0.57 0.15 0.08 -2.00 0.00 0.00 174.74 173.71 1x9l s VAL 109 N -2.59 4.99 -0.72 -5.38 1.01 -1.26 0.05 120.40 116.51 1x9l s VAL 109 Ca 0.33 0.06 -0.25 0.00 0.00 0.00 0.00 61.98 62.12 1x9l s VAL 109 Cb 0.02 -3.36 0.05 0.00 0.00 0.00 0.00 36.38 33.09 1x9l s VAL 109 CO 0.17 0.30 1.17 -0.04 0.00 0.00 0.00 175.10 176.69 1x9l s MET 110 N 1.58 3.18 -1.42 2.72 -1.94 0.64 -1.88 119.30 122.17 1x9l s MET 110 Ca 0.07 -0.52 -0.09 0.00 -1.71 0.00 0.00 55.69 53.43 1x9l s MET 110 Cb -0.15 -4.25 -0.11 0.00 2.01 0.00 0.00 34.83 32.33 1x9l s MET 110 CO 0.08 -2.02 3.04 1.28 -0.01 0.00 0.00 175.02 177.39 1x9l n LEU 111 N 8.69 8.34 -4.90 -0.03 4.77 -1.25 -2.10 117.00 130.51 1x9l n LEU 111 Ca 0.02 -4.23 -0.28 0.00 -0.03 0.00 0.00 56.01 51.49 1x9l n LEU 111 Cb 0.48 -1.54 0.02 0.00 -2.33 0.00 0.00 43.42 40.04 1x9l n LEU 111 CO 0.68 2.03 0.56 -0.32 -1.33 0.00 0.00 177.39 179.01 1x9l s MET 112 N 1.97 3.31 0.00 3.23 1.75 -1.18 -4.48 119.30 123.90 1x9l s MET 112 Ca 0.69 0.30 0.00 0.00 -1.25 0.00 0.00 55.69 55.43 1x9l s MET 112 Cb 0.20 -2.24 0.00 0.00 2.84 0.00 0.00 34.83 35.63 1x9l s MET 112 CO -0.05 -0.51 0.00 0.41 -0.65 0.00 0.00 175.02 174.21 1x9l n GLY 113 N -2.54 0.76 3.03 2.11 0.00 0.42 -0.41 105.19 108.56 1x9l n GLY 113 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 1x9l n GLY 113 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x9l n LEU 114 N 0.00 -5.19 -0.08 0.99 7.94 -1.25 -4.42 117.00 114.99 1x9l n LEU 114 Ca 0.00 0.75 -0.20 0.00 -1.11 0.00 0.00 56.01 55.46 1x9l n LEU 114 Cb 0.00 -2.24 -0.13 0.00 0.53 0.00 0.00 43.42 41.58 1x9l n LEU 114 CO 0.00 -2.03 -1.13 1.17 -1.11 0.00 0.00 177.39 174.29 1x9l n LYS 115 N 1.01 0.69 -4.01 1.96 4.81 -0.24 -4.73 118.16 117.63 1x9l n LYS 115 Ca -0.00 0.20 -0.09 0.00 -0.87 0.00 0.00 58.31 57.56 1x9l n LYS 115 Cb 0.33 -1.60 -0.11 0.00 0.02 0.00 0.00 35.03 33.68 1x9l n LYS 115 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1x9l s ARG 116 N -2.53 0.40 -0.00 1.64 0.52 -1.22 -4.97 118.95 112.78 1x9l s ARG 116 Ca -0.30 -0.78 -0.32 0.00 -0.52 0.00 0.00 55.73 53.81 1x9l s ARG 116 Cb 0.08 0.11 -0.10 0.00 0.52 0.00 0.00 34.95 35.56 1x9l s ARG 116 CO 0.66 -0.06 1.92 -0.35 0.02 0.00 0.00 175.30 177.49 1x9l n PRO 117 N 1.20 2.57 -1.71 3.54 -0.04 -1.26 -4.85 135.00 134.44 1x9l n PRO 117 Ca -0.21 0.94 -0.40 0.00 -0.04 0.00 0.00 63.50 63.79 1x9l n PRO 117 Cb 0.57 -2.84 -0.04 0.00 -0.04 0.00 0.00 33.50 31.15 1x9l n PRO 117 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1x9l n LEU 118 N 6.92 4.69 -4.57 1.53 4.32 -1.26 -4.90 117.00 123.73 1x9l n LEU 118 Ca 0.21 -3.42 -0.41 0.00 -0.02 0.00 0.00 56.01 52.37 1x9l n LEU 118 Cb 0.36 -1.48 -0.03 0.00 -1.62 0.00 0.00 43.42 40.65 1x9l n LEU 118 CO 0.70 -0.23 1.34 -0.75 -1.22 0.00 0.00 177.39 177.23 1x9l s LYS 119 N 4.74 3.21 -0.46 3.23 2.36 -1.26 -4.53 119.74 127.03 1x9l s LYS 119 Ca 0.57 0.59 -0.44 0.00 -2.55 0.00 0.00 55.97 54.14 1x9l s LYS 119 Cb 0.10 -4.17 -0.18 0.00 -1.05 0.00 0.00 37.83 32.52 1x9l s LYS 119 CO 0.07 -2.04 1.84 1.55 1.55 0.00 0.00 175.35 178.31 1x9l n VAL 120 N 6.98 0.06 0.00 4.02 3.14 -1.25 -1.49 118.33 129.78 1x9l n VAL 120 Ca 0.15 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 1x9l n VAL 120 Cb 0.49 -0.69 0.00 0.00 -1.06 0.00 0.00 33.84 32.58 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 5.34 1.21 1.47 7.55 0.00 0.52 -4.97 105.19 116.31 1x9l n GLY 121 Ca 0.39 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.29 1x9l n GLY 121 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x9l n GLU 122 N -0.08 -0.80 -3.70 1.61 4.07 -0.56 -4.77 120.64 116.42 1x9l n GLU 122 Ca 0.00 -0.78 -0.11 0.00 -0.06 0.00 0.00 57.16 56.22 1x9l n GLU 122 Cb 0.00 -0.56 -0.11 0.00 -0.06 0.00 0.00 31.44 30.71 1x9l n GLU 122 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1x9l s THR 123 N -2.06 -0.03 -0.04 6.31 2.01 -1.26 -0.87 115.64 119.70 1x9l s THR 123 Ca 0.29 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.43 1x9l s THR 123 Cb -0.01 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.94 1x9l s THR 123 CO 0.21 0.04 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.35 1x9l s VAL 124 N 1.34 1.22 -0.38 3.82 1.01 0.10 -4.89 120.40 122.62 1x9l s VAL 124 Ca -0.09 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 1x9l s VAL 124 Cb -0.09 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.23 1x9l s VAL 124 CO -0.11 0.36 1.47 0.20 0.00 0.00 0.00 175.10 177.01 1x9l s ASN 125 N 0.22 6.31 0.89 3.32 0.01 -1.26 -0.49 114.94 123.95 1x9l s ASN 125 Ca -0.06 0.98 -0.10 0.00 -0.71 0.00 0.00 52.86 52.97 1x9l s ASN 125 Cb -0.12 -2.54 0.19 0.00 0.41 0.00 0.00 41.25 39.20 1x9l s ASN 125 CO 0.02 -1.42 1.20 2.30 -1.51 0.00 0.00 177.10 177.68 1x9l n ILE 126 N 6.99 0.00 -3.67 0.60 -5.35 0.56 -4.53 119.36 113.97 1x9l n ILE 126 Ca 0.17 -1.24 -0.13 0.00 -0.27 0.00 0.00 62.75 61.28 1x9l n ILE 126 Cb 0.47 -1.25 -0.13 0.00 -1.74 0.00 0.00 39.64 37.00 1x9l n ILE 126 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1x9l s THR 127 N -3.58 -0.37 0.81 7.28 2.01 0.94 -0.66 115.64 122.07 1x9l s THR 127 Ca 0.72 0.26 -0.07 0.00 0.31 0.00 0.00 61.69 62.91 1x9l s THR 127 Cb -0.03 -0.44 0.15 0.00 0.01 0.00 0.00 72.50 72.19 1x9l s THR 127 CO 0.49 0.11 1.11 -1.48 -0.69 0.00 0.00 174.62 174.17 1x9l s LEU 128 N 2.25 2.87 -0.30 4.42 0.05 -0.05 -0.26 118.68 127.67 1x9l s LEU 128 Ca -0.00 -0.10 0.05 0.00 0.05 0.00 0.00 54.13 54.12 1x9l s LEU 128 Cb -0.12 -2.15 0.18 0.00 -2.05 0.00 0.00 46.19 42.06 1x9l s LEU 128 CO -0.09 -2.17 0.52 -0.75 -0.55 0.00 0.00 176.35 173.32 1x9l s LYS 129 N -5.42 0.52 -0.22 1.48 2.20 -1.24 -3.23 119.74 113.83 1x9l s LYS 129 Ca 0.69 0.34 -0.19 0.00 -0.36 0.00 0.00 55.97 56.45 1x9l s LYS 129 Cb -0.05 0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.27 1x9l s LYS 129 CO 0.47 -1.05 0.56 0.00 -0.36 0.00 0.00 175.35 174.97 1x9l s ALA 130 N 2.67 3.56 -1.52 3.13 0.00 0.43 -0.49 121.76 129.53 1x9l s ALA 130 Ca 0.10 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.56 1x9l s ALA 130 Cb -0.11 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 1x9l s ALA 130 CO -0.27 -0.56 2.71 -2.37 0.00 0.00 0.00 175.76 175.27 1x9l n THR 131 N 4.76 4.48 0.13 0.00 5.66 -0.93 -2.65 114.28 125.72 1x9l n THR 131 Ca -0.03 -3.13 0.00 0.00 -3.05 0.00 0.00 64.05 57.84 1x9l n THR 131 Cb 0.50 -2.47 0.00 0.00 -1.55 0.00 0.00 70.33 66.81 1x9l n THR 131 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1x9l n ASP 132 N 3.36 -2.32 0.00 1.09 8.00 -1.26 -4.71 116.55 120.70 1x9l n ASP 132 Ca 0.71 0.73 0.00 0.00 0.71 0.00 0.00 54.79 56.94 1x9l n ASP 132 Cb 0.25 2.38 0.00 0.00 -0.02 0.00 0.00 41.12 43.74 1x9l n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x9l n GLY 133 N -1.26 1.64 3.84 0.44 0.00 -1.09 -5.09 105.19 103.67 1x9l n GLY 133 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1x9l n GLY 133 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x9l s ARG 134 N 0.03 1.90 0.07 1.61 3.52 -1.14 -4.96 118.95 119.98 1x9l s ARG 134 Ca 0.00 -1.12 -0.10 0.00 -0.13 0.00 0.00 55.73 54.38 1x9l s ARG 134 Cb 0.00 0.60 -0.06 0.00 -1.56 0.00 0.00 34.95 33.93 1x9l s ARG 134 CO 0.00 -0.88 0.39 -0.08 -0.81 0.00 0.00 175.30 173.92 1x9l s THR 135 N -3.29 5.11 -0.15 4.11 -1.32 -1.26 -0.43 115.64 118.41 1x9l s THR 135 Ca 0.13 0.44 -0.22 0.00 -1.21 0.00 0.00 61.69 60.83 1x9l s THR 135 Cb -0.05 -3.64 0.06 0.00 -1.51 0.00 0.00 72.50 67.35 1x9l s THR 135 CO 0.08 0.32 0.58 -0.22 -2.21 0.00 0.00 174.62 173.17 1x9l s LEU 136 N -1.84 -0.22 -0.04 9.08 2.96 -1.20 -4.97 118.68 122.45 1x9l s LEU 136 Ca 0.32 0.93 -0.22 0.00 -0.22 0.00 0.00 54.13 54.94 1x9l s LEU 136 Cb -0.14 2.06 -0.04 0.00 0.50 0.00 0.00 46.19 48.57 1x9l s LEU 136 CO 0.17 -0.34 0.64 0.54 -1.32 0.00 0.00 176.35 176.04 1x9l s ASN 137 N -0.27 6.96 -0.04 3.68 4.22 -1.26 -0.87 114.94 127.35 1x9l s ASN 137 Ca -0.04 1.15 -0.00 0.00 -2.14 0.00 0.00 52.86 51.82 1x9l s ASN 137 Cb -0.03 -2.38 0.03 0.00 1.28 0.00 0.00 41.25 40.14 1x9l s ASN 137 CO 0.04 -0.01 0.01 -0.69 -2.04 0.00 0.00 177.10 174.40 1x9l s VAL 138 N 0.37 0.20 -0.44 3.54 1.01 0.16 -4.96 120.40 120.28 1x9l s VAL 138 Ca 0.34 0.14 -0.27 0.00 0.00 0.00 0.00 61.98 62.19 1x9l s VAL 138 Cb -0.18 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 35.89 1x9l s VAL 138 CO 0.17 0.18 0.99 0.00 0.00 0.00 0.00 175.10 176.44 1x9l s ALA 139 N 1.45 3.27 -0.28 5.51 0.00 -1.26 -0.32 121.76 130.12 1x9l s ALA 139 Ca -0.04 -0.59 -0.10 0.00 0.00 0.00 0.00 51.96 51.23 1x9l s ALA 139 Cb -0.13 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 1x9l s ALA 139 CO -0.03 -1.98 0.16 0.00 0.00 0.00 0.00 175.76 173.91 1x9l s ALA 140 N 3.87 3.40 -0.10 0.00 0.00 0.36 -3.81 121.76 125.49 1x9l s ALA 140 Ca 0.41 -1.15 -0.26 0.00 0.00 0.00 0.00 51.96 50.95 1x9l s ALA 140 Cb -0.10 -2.38 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 1x9l s ALA 140 CO 0.25 -0.60 0.84 0.99 0.00 0.00 0.00 175.76 177.25 1x9l s THR 141 N 1.70 4.91 -0.35 0.00 2.01 -0.69 -0.72 115.64 122.51 1x9l s THR 141 Ca 0.07 1.71 -0.08 0.00 0.31 0.00 0.00 61.69 63.69 1x9l s THR 141 Cb -0.16 -4.17 0.03 0.00 0.01 0.00 0.00 72.50 68.22 1x9l s THR 141 CO 0.09 0.11 0.15 -0.69 -0.69 0.00 0.00 174.62 173.59 1x9l s VAL 142 N 1.53 4.14 -0.04 3.82 1.01 -0.05 -0.28 120.40 130.53 1x9l s VAL 142 Ca 0.42 -0.99 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 1x9l s VAL 142 Cb -0.18 -3.32 0.06 0.00 0.00 0.00 0.00 36.38 32.94 1x9l s VAL 142 CO 0.18 -0.19 0.61 -1.59 0.00 0.00 0.00 175.10 174.11 1x9l s LYS 143 N 1.47 0.99 0.09 2.72 -2.85 0.02 -0.36 119.74 121.83 1x9l s LYS 143 Ca 0.00 0.16 0.03 0.00 -1.00 0.00 0.00 55.97 55.16 1x9l s LYS 143 Cb -0.19 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 36.00 1x9l s LYS 143 CO 0.04 -0.31 0.12 -1.59 0.10 0.00 0.00 175.35 173.71 1x9l s LYS 144 N -1.28 3.00 0.34 1.78 0.00 -1.26 -1.54 119.74 120.77 1x9l s LYS 144 Ca -0.11 -0.67 0.00 0.00 0.00 0.00 0.00 55.97 55.19 1x9l s LYS 144 Cb -0.01 -2.78 0.00 0.00 0.00 0.00 0.00 37.83 35.04 1x9l s LYS 144 CO 0.08 0.56 0.00 0.27 0.00 0.00 0.00 175.35 176.27 1x9l n ASN 145 N 0.29 -7.40 -4.64 0.03 6.94 -1.26 -4.47 115.26 104.75 1x9l n ASN 145 Ca -0.08 0.64 -0.42 0.00 -0.02 0.00 0.00 54.58 54.69 1x9l n ASN 145 Cb 0.52 -3.98 -0.03 0.00 -2.36 0.00 0.00 39.78 33.93 1x9l n ASN 145 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1x9l s ILE 146 N -2.48 3.23 -0.25 1.53 1.09 -1.26 -4.91 121.20 118.14 1x9l s ILE 146 Ca 0.00 0.26 -0.02 0.00 -1.10 0.00 0.00 60.65 59.79 1x9l s ILE 146 Cb 0.00 -3.21 0.14 0.00 -1.06 0.00 0.00 42.46 38.32 1x9l s ILE 146 CO 0.00 -0.08 0.37 -0.70 -0.10 0.00 0.00 174.94 174.44 1x9l s GLU 147 N 4.98 0.35 0.00 2.79 2.56 -1.26 -4.87 118.70 123.24 1x9l s GLU 147 Ca 0.86 0.41 0.00 0.00 0.00 0.00 0.00 54.97 56.24 1x9l s GLU 147 Cb -0.35 -0.49 0.00 0.00 2.00 0.00 0.00 34.13 35.29 1x9l s GLU 147 CO 0.36 -0.73 0.00 0.41 -0.56 0.00 0.00 175.26 174.73 1x9l n GLY 148 N 5.36 0.96 0.00 -1.50 0.00 -1.26 -5.03 105.19 103.71 1x9l n GLY 148 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1x9l n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86