#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 -2.58 0.00 3.03 0.00 -1.26 -5.07 105.19 99.31 1x9l n GLY 2 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1x9l n GLY 2 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1x9l n HIS 3 N -2.41 0.00 -3.63 1.61 -0.00 -1.26 -5.18 115.22 104.36 1x9l n HIS 3 Ca -0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.64 1x9l n HIS 3 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.09 1x9l n HIS 3 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1x9l n THR 4 N 0.00 0.00 -3.64 0.61 5.66 -1.26 -5.19 114.28 110.46 1x9l n THR 4 Ca 0.00 -0.79 -0.15 0.00 -3.05 0.00 0.00 64.05 60.06 1x9l n THR 4 Cb 0.00 0.63 -0.08 0.00 -1.55 0.00 0.00 70.33 69.33 1x9l n THR 4 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x9l s MET 5 N -2.22 0.82 0.77 1.09 0.00 -1.26 -5.18 119.30 113.33 1x9l s MET 5 Ca 0.13 0.34 -0.12 0.00 0.00 0.00 0.00 55.69 56.04 1x9l s MET 5 Cb -0.02 0.39 0.06 0.00 0.00 0.00 0.00 34.83 35.25 1x9l s MET 5 CO 0.09 -0.20 1.10 -1.25 0.00 0.00 0.00 175.02 174.76 1x9l s PRO 6 N -0.69 2.28 -0.99 3.16 0.04 -1.26 -4.93 135.00 132.61 1x9l s PRO 6 Ca -0.08 0.56 -0.20 0.00 0.04 0.00 0.00 61.00 61.32 1x9l s PRO 6 Cb -0.03 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 1x9l s PRO 6 CO 0.05 -1.47 1.98 0.00 0.04 0.00 0.00 177.00 177.61 1x9l n ALA 7 N -3.32 3.66 -1.57 8.56 0.00 -1.26 -4.87 120.51 121.71 1x9l n ALA 7 Ca 0.07 -3.43 -0.36 0.00 0.00 0.00 0.00 53.44 49.71 1x9l n ALA 7 Cb 0.57 -3.60 -0.06 0.00 0.00 0.00 0.00 19.45 16.36 1x9l n ALA 7 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1x9l n HIS 8 N 7.95 2.25 -1.72 0.00 -0.00 -1.26 -4.94 115.22 117.51 1x9l n HIS 8 Ca 0.50 -1.63 -0.40 0.00 0.46 0.00 0.00 57.72 56.65 1x9l n HIS 8 Cb 0.41 -2.12 0.03 0.00 -0.12 0.00 0.00 29.99 28.19 1x9l n HIS 8 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 1x9l n THR 9 N 6.86 3.16 -1.33 3.57 5.66 -1.26 -5.02 114.28 125.93 1x9l n THR 9 Ca 0.47 -0.50 -0.32 0.00 -3.05 0.00 0.00 64.05 60.65 1x9l n THR 9 Cb 0.43 -1.60 0.09 0.00 -1.55 0.00 0.00 70.33 67.71 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 -2.53 2.15 0.94 1.09 0.04 -1.26 -5.07 135.00 130.36 1x9l s PRO 10 Ca 0.66 1.43 -0.16 0.00 0.04 0.00 0.00 61.00 62.97 1x9l s PRO 10 Cb -0.46 -1.87 0.22 0.00 0.04 0.00 0.00 34.50 32.43 1x9l s PRO 10 CO 0.54 -1.76 1.27 -0.35 0.04 0.00 0.00 177.00 176.73 1x9l n PRO 11 N -3.18 -1.28 -1.75 0.56 -0.04 -1.26 -5.06 135.00 123.00 1x9l n PRO 11 Ca 0.11 -1.96 -0.36 0.00 -0.04 0.00 0.00 63.50 61.25 1x9l n PRO 11 Cb 0.52 -1.31 0.06 0.00 -0.04 0.00 0.00 33.50 32.73 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 -3.95 2.36 0.26 0.55 0.00 -1.26 -5.05 121.76 114.67 1x9l s ALA 12 Ca 0.72 1.01 0.11 0.00 0.00 0.00 0.00 51.96 53.80 1x9l s ALA 12 Cb -0.02 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 1x9l s ALA 12 CO 0.51 -1.51 -0.15 1.14 0.00 0.00 0.00 175.76 175.74 1x9l s GLN 13 N -3.55 1.83 0.18 0.00 -2.07 -1.26 -5.15 119.66 109.65 1x9l s GLN 13 Ca 0.78 -1.62 -0.24 0.00 -1.82 0.00 0.00 55.36 52.46 1x9l s GLN 13 Cb -0.32 -1.90 0.05 0.00 -1.09 0.00 0.00 33.01 29.76 1x9l s GLN 13 CO 0.39 0.35 0.89 -0.08 -1.32 0.00 0.00 175.29 175.52 1x9l s THR 14 N -2.30 0.00 -0.21 3.63 -1.32 -1.26 -5.20 115.64 108.98 1x9l s THR 14 Ca 0.29 -0.72 -0.28 0.00 -1.21 0.00 0.00 61.69 59.77 1x9l s THR 14 Cb -0.06 -1.94 0.11 0.00 -1.51 0.00 0.00 72.50 69.10 1x9l s THR 14 CO 0.16 0.00 0.93 0.00 -2.21 0.00 0.00 174.62 173.50 1x9l s ALA 15 N -3.46 -1.91 0.98 11.08 0.00 -1.26 -5.18 121.76 122.01 1x9l s ALA 15 Ca 0.11 1.72 -0.04 0.00 0.00 0.00 0.00 51.96 53.76 1x9l s ALA 15 Cb -0.03 -0.96 0.05 0.00 0.00 0.00 0.00 23.12 22.18 1x9l s ALA 15 CO 0.03 -0.29 0.31 -0.35 0.00 0.00 0.00 175.76 175.46 1x9l n PRO 16 N 1.60 -0.28 -4.15 0.00 -0.04 -1.26 -5.14 135.00 125.74 1x9l n PRO 16 Ca -0.13 -0.49 -0.10 0.00 -0.04 0.00 0.00 63.50 62.75 1x9l n PRO 16 Cb 0.57 -0.31 -0.10 0.00 -0.04 0.00 0.00 33.50 33.61 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 -3.95 0.87 -0.22 0.55 0.00 -1.26 -5.18 121.76 112.58 1x9l s ALA 17 Ca 0.18 -1.37 -0.15 0.00 0.00 0.00 0.00 51.96 50.61 1x9l s ALA 17 Cb -0.00 0.41 0.06 0.00 0.00 0.00 0.00 23.12 23.59 1x9l s ALA 17 CO 0.12 -0.34 0.55 0.00 0.00 0.00 0.00 175.76 176.09 1x9l s ALA 18 N -3.81 -1.42 0.97 0.00 0.00 -1.26 -5.17 121.76 111.08 1x9l s ALA 18 Ca 0.15 1.81 -0.11 0.00 0.00 0.00 0.00 51.96 53.81 1x9l s ALA 18 Cb 0.07 -1.07 0.18 0.00 0.00 0.00 0.00 23.12 22.30 1x9l s ALA 18 CO -0.04 -0.30 1.12 1.14 0.00 0.00 0.00 175.76 177.69 1x9l s GLN 19 N 1.04 0.57 0.19 0.00 0.00 -1.26 -5.07 119.66 115.13 1x9l s GLN 19 Ca -0.06 1.42 0.01 0.00 -0.00 0.00 0.00 55.36 56.73 1x9l s GLN 19 Cb -0.06 -1.69 -0.00 0.00 0.00 0.00 0.00 33.01 31.27 1x9l s GLN 19 CO -0.10 -2.90 0.22 1.63 0.00 0.00 0.00 175.29 174.15 1x9l n LYS 20 N -4.40 0.32 -3.47 9.60 5.02 -1.26 -4.98 118.16 118.98 1x9l n LYS 20 Ca 0.10 -1.62 -0.19 0.00 -2.02 0.00 0.00 58.31 54.57 1x9l n LYS 20 Cb 0.52 1.47 0.06 0.00 -0.02 0.00 0.00 35.03 37.06 1x9l n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x9l n ALA 21 N -1.76 -2.26 -1.29 7.82 0.00 -1.26 -4.86 120.51 116.91 1x9l n ALA 21 Ca -0.07 -0.04 -0.43 0.00 0.00 0.00 0.00 53.44 52.90 1x9l n ALA 21 Cb 0.32 -3.72 -0.05 0.00 0.00 0.00 0.00 19.45 16.00 1x9l n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x9l n GLY 22 N -1.35 2.80 3.08 0.00 0.00 -1.26 -4.84 105.19 103.61 1x9l n GLY 22 Ca -0.19 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 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 7.54 3.36 -1.85 4.61 0.00 -1.26 -4.87 120.51 128.04 1x9l n ALA 23 Ca 0.50 -3.30 -0.21 0.00 0.00 0.00 0.00 53.44 50.43 1x9l n ALA 23 Cb 0.40 -3.63 -0.06 0.00 0.00 0.00 0.00 19.45 16.16 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 4.95 2.09 0.00 0.00 -0.21 -1.25 -3.39 119.66 121.85 1x9l s GLN 24 Ca 0.57 -0.15 0.00 0.00 0.02 0.00 0.00 55.36 55.80 1x9l s GLN 24 Cb 0.14 -4.98 0.00 0.00 1.00 0.00 0.00 33.01 29.17 1x9l s GLN 24 CO 0.11 -4.02 0.00 0.00 -2.12 0.00 0.00 175.29 169.26 1x9l n ALA 25 N 16.17 0.00 -1.74 6.09 0.00 0.55 -4.81 120.51 136.77 1x9l n ALA 25 Ca 0.43 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 1x9l n ALA 25 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.96 4.38 0.85 0.00 0.20 -0.54 -4.78 118.68 115.83 1x9l s LEU 26 Ca 0.00 2.79 -0.12 0.00 0.69 0.00 0.00 54.13 57.49 1x9l s LEU 26 Cb 0.00 -3.58 0.10 0.00 -0.43 0.00 0.00 46.19 42.28 1x9l s LEU 26 CO 0.00 -0.98 1.11 -2.16 -0.29 0.00 0.00 176.35 174.03 1x9l s PRO 27 N 1.99 1.66 -1.56 0.98 0.04 -1.26 -3.13 135.00 133.71 1x9l s PRO 27 Ca 0.77 0.52 -0.09 0.00 0.04 0.00 0.00 61.00 62.24 1x9l s PRO 27 Cb -0.47 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1x9l s PRO 27 CO 0.34 -1.89 2.84 1.55 0.04 0.00 0.00 177.00 179.88 1x9l n VAL 28 N -3.59 4.52 -2.78 -0.36 3.14 -1.26 -4.27 118.33 113.73 1x9l n VAL 28 Ca 0.07 -2.96 -0.10 0.00 -2.96 0.00 0.00 64.34 58.39 1x9l n VAL 28 Cb 0.57 -2.50 0.08 0.00 -1.06 0.00 0.00 33.84 30.93 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 3.20 0.01 -2.83 1.55 5.66 -1.26 -4.40 114.28 116.20 1x9l n THR 29 Ca 0.75 -1.90 -0.26 0.00 -3.05 0.00 0.00 64.05 59.59 1x9l n THR 29 Cb 0.23 1.19 -0.03 0.00 -1.55 0.00 0.00 70.33 70.18 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 0.19 2.55 -3.73 1.08 3.14 -1.26 -4.98 118.33 115.32 1x9l n VAL 30 Ca 0.07 -5.24 -0.12 0.00 -2.96 0.00 0.00 64.34 56.08 1x9l n VAL 30 Cb 0.72 -1.20 -0.11 0.00 -1.06 0.00 0.00 33.84 32.19 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 -3.40 0.38 0.16 1.45 2.00 -1.26 -4.89 119.66 114.11 1x9l s GLN 31 Ca 0.47 0.58 -0.30 0.00 -2.00 0.00 0.00 55.36 54.10 1x9l s GLN 31 Cb 0.32 0.10 -0.08 0.00 0.80 0.00 0.00 33.01 34.16 1x9l s GLN 31 CO -0.14 -0.09 1.31 0.20 -0.50 0.00 0.00 175.29 176.07 1x9l s GLY 32 N 0.64 2.33 0.19 2.59 0.00 -1.26 -4.85 107.32 106.97 1x9l s GLY 32 Ca -0.04 1.07 -0.06 0.00 0.00 0.00 0.00 44.72 45.70 1x9l s GLY 32 CO -0.04 2.13 0.45 0.00 0.00 0.00 0.00 173.10 175.64 1x9l s ALA 33 N 0.47 3.70 -0.17 3.20 0.00 -1.26 -4.81 121.76 122.90 1x9l s ALA 33 Ca 0.59 -0.49 -0.00 0.00 0.00 0.00 0.00 51.96 52.06 1x9l s ALA 33 Cb -0.36 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.53 1x9l s ALA 33 CO 0.35 0.55 -0.15 0.95 0.00 0.00 0.00 175.76 177.46 1x9l s THR 34 N -1.78 2.63 -0.23 0.00 -4.23 0.05 -0.91 115.64 111.17 1x9l s THR 34 Ca 0.43 -0.77 -0.06 0.00 -1.18 0.00 0.00 61.69 60.11 1x9l s THR 34 Cb -0.12 -2.12 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 1x9l s THR 34 CO 0.25 0.51 0.04 -0.69 -0.54 0.00 0.00 174.62 174.18 1x9l s VAL 35 N 0.99 4.15 -1.06 2.29 1.01 0.34 -0.08 120.40 128.05 1x9l s VAL 35 Ca -0.02 -0.23 -0.22 0.00 0.00 0.00 0.00 61.98 61.50 1x9l s VAL 35 Cb -0.15 -2.92 0.04 0.00 0.00 0.00 0.00 36.38 33.35 1x9l s VAL 35 CO -0.03 0.37 1.56 0.00 0.00 0.00 0.00 175.10 177.01 1x9l s ALA 36 N 1.40 2.67 -0.34 5.51 0.00 -0.78 0.14 121.76 130.36 1x9l s ALA 36 Ca 0.05 -2.28 -0.44 0.00 0.00 0.00 0.00 51.96 49.28 1x9l s ALA 36 Cb -0.15 -4.56 -0.19 0.00 0.00 0.00 0.00 23.12 18.22 1x9l s ALA 36 CO 0.02 -3.74 1.48 0.00 0.00 0.00 0.00 175.76 173.53 1x9l n ALA 37 N 9.49 -1.76 -1.12 0.00 0.00 -1.26 -3.93 120.51 121.93 1x9l n ALA 37 Ca 0.37 0.51 -0.44 0.00 0.00 0.00 0.00 53.44 53.88 1x9l n ALA 37 Cb 0.50 -1.92 -0.06 0.00 0.00 0.00 0.00 19.45 17.97 1x9l n ALA 37 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1x9l n VAL 38 N 3.43 0.00 -0.65 0.00 0.24 -1.26 -4.74 118.33 115.35 1x9l n VAL 38 Ca 0.28 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.26 1x9l n VAL 38 Cb -0.00 -0.20 0.18 0.00 -1.47 0.00 0.00 33.84 32.36 1x9l n VAL 38 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1x9l n PRO 39 N 2.00 -1.37 -1.08 7.34 -0.02 -1.25 -4.89 135.00 135.73 1x9l n PRO 39 Ca 0.18 -0.37 -0.23 0.00 -2.02 0.00 0.00 63.50 61.06 1x9l n PRO 39 Cb -0.00 -1.95 -0.10 0.00 -0.02 0.00 0.00 33.50 31.42 1x9l n PRO 39 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1x9l n PRO 40 N -3.05 2.63 -2.74 0.52 -0.04 -1.26 -4.38 135.00 126.69 1x9l n PRO 40 Ca 0.04 -1.48 -0.11 0.00 -0.04 0.00 0.00 63.50 61.92 1x9l n PRO 40 Cb 0.57 -2.33 0.02 0.00 -0.04 0.00 0.00 33.50 31.72 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 3.03 1.42 0.00 3.54 3.41 -1.26 -5.08 113.62 118.68 1x9l n SER 41 Ca 0.56 -2.78 0.00 0.00 -0.26 0.00 0.00 58.87 56.39 1x9l n SER 41 Cb 0.58 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 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 -0.01 0.00 -0.64 -1.33 5.41 -1.26 -4.37 119.36 117.15 1x9l n ILE 42 Ca 0.12 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.79 1x9l n ILE 42 Cb 0.79 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 39.62 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 -0.91 1.32 -2.64 0.38 1.85 -1.26 -4.61 116.66 110.79 1x9l n ARG 43 Ca 0.00 -0.69 -0.28 0.00 -1.00 0.00 0.00 57.85 55.88 1x9l n ARG 43 Cb 0.00 -1.86 -0.01 0.00 -1.05 0.00 0.00 32.46 29.54 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 2.43 6.32 0.26 2.89 -4.77 -1.26 -0.73 116.67 121.81 1x9l s ASP 44 Ca 0.42 1.01 -0.19 0.00 -3.30 0.00 0.00 52.55 50.49 1x9l s ASP 44 Cb 0.20 -2.28 0.02 0.00 -1.09 0.00 0.00 42.92 39.76 1x9l s ASP 44 CO -0.00 -0.55 0.65 0.28 0.70 0.00 0.00 175.17 176.24 1x9l s THR 45 N -2.68 0.00 0.02 2.11 -1.32 -1.16 -3.82 115.64 108.79 1x9l s THR 45 Ca 0.49 -1.03 -0.26 0.00 -1.21 0.00 0.00 61.69 59.68 1x9l s THR 45 Cb -0.10 -1.97 0.06 0.00 -1.51 0.00 0.00 72.50 68.98 1x9l s THR 45 CO 0.42 -0.01 0.59 0.00 -2.21 0.00 0.00 174.62 173.41 1x9l s ALA 46 N -3.93 -1.52 0.20 11.08 0.00 -1.26 0.00 121.76 126.33 1x9l s ALA 46 Ca 0.13 0.87 -0.13 0.00 0.00 0.00 0.00 51.96 52.83 1x9l s ALA 46 Cb -0.04 0.28 -0.07 0.00 0.00 0.00 0.00 23.12 23.28 1x9l s ALA 46 CO 0.06 -0.47 0.57 0.00 0.00 0.00 0.00 175.76 175.92 1x9l s ALA 47 N -2.04 3.54 -0.09 0.00 0.00 -1.11 -1.86 121.76 120.20 1x9l s ALA 47 Ca -0.07 -0.16 0.02 0.00 0.00 0.00 0.00 51.96 51.74 1x9l s ALA 47 Cb -0.01 -2.52 0.01 0.00 0.00 0.00 0.00 23.12 20.61 1x9l s ALA 47 CO 0.02 0.46 -0.14 0.71 0.00 0.00 0.00 175.76 176.81 1x9l s TYR 48 N -1.66 1.73 0.17 0.00 2.02 0.88 -4.26 117.35 116.23 1x9l s TYR 48 Ca 0.43 -0.74 -0.07 0.00 -0.37 0.00 0.00 57.07 56.32 1x9l s TYR 48 Cb -0.13 -1.27 0.03 0.00 -0.40 0.00 0.00 41.96 40.19 1x9l s TYR 48 CO 0.20 -0.39 0.39 0.00 -1.57 0.00 0.00 175.55 174.18 1x9l n MET 49 N 4.07 0.50 -3.98 -0.62 0.00 -1.02 -0.77 117.12 115.30 1x9l n MET 49 Ca -0.20 -0.99 -0.30 0.00 0.00 0.00 0.00 57.70 56.22 1x9l n MET 49 Cb 0.51 1.24 -0.16 0.00 0.00 0.00 0.00 33.22 34.81 1x9l n MET 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1x9l s THR 50 N -2.54 1.49 -0.39 3.17 2.01 -1.26 -0.26 115.64 117.85 1x9l s THR 50 Ca 0.08 -0.74 -0.26 0.00 0.31 0.00 0.00 61.69 61.08 1x9l s THR 50 Cb -0.02 -1.50 0.02 0.00 0.01 0.00 0.00 72.50 71.01 1x9l s THR 50 CO 0.05 0.30 0.95 -0.76 -0.69 0.00 0.00 174.62 174.46 1x9l s LEU 51 N 1.49 3.97 -0.41 4.42 1.02 -0.22 -4.35 118.68 124.60 1x9l s LEU 51 Ca 0.02 0.49 0.03 0.00 0.02 0.00 0.00 54.13 54.69 1x9l s LEU 51 Cb -0.14 -3.28 0.11 0.00 0.02 0.00 0.00 46.19 42.90 1x9l s LEU 51 CO -0.09 -0.93 0.15 -0.89 0.02 0.00 0.00 176.35 174.61 1x9l s THR 52 N 3.61 2.13 0.19 5.49 2.01 -1.24 -2.55 115.64 125.28 1x9l s THR 52 Ca 0.39 -2.61 -0.25 0.00 0.31 0.00 0.00 61.69 59.52 1x9l s THR 52 Cb -0.11 -2.54 -0.08 0.00 0.01 0.00 0.00 72.50 69.78 1x9l s THR 52 CO 0.21 -0.71 0.80 0.21 -0.69 0.00 0.00 174.62 174.43 1x9l s ASN 53 N 0.50 7.38 -0.39 3.53 3.84 0.05 -4.33 114.94 125.52 1x9l s ASN 53 Ca 0.14 1.66 0.11 0.00 0.21 0.00 0.00 52.86 54.98 1x9l s ASN 53 Cb -0.22 -2.51 0.34 0.00 -0.55 0.00 0.00 41.25 38.31 1x9l s ASN 53 CO -0.06 0.17 0.79 0.29 -2.79 0.00 0.00 177.10 175.51 1x9l n LYS 54 N 1.44 0.97 0.00 0.43 5.02 -1.18 -4.88 118.16 119.95 1x9l n LYS 54 Ca -0.05 -3.10 0.00 0.00 -2.02 0.00 0.00 58.31 53.14 1x9l n LYS 54 Cb 0.49 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1x9l n LYS 54 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1x9l n SER 55 N 0.35 0.00 -2.72 4.39 2.88 -1.23 -0.33 113.62 116.97 1x9l n SER 55 Ca 0.21 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.66 1x9l n SER 55 Cb 0.66 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.17 1x9l n SER 55 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1x9l n ASP 56 N -1.50 -5.34 -3.98 -3.46 2.03 -1.26 -4.61 116.55 98.44 1x9l n ASP 56 Ca 0.00 -0.46 -0.09 0.00 0.52 0.00 0.00 54.79 54.76 1x9l n ASP 56 Cb 0.00 -3.83 -0.11 0.00 -0.72 0.00 0.00 41.12 36.46 1x9l n ASP 56 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1x9l s GLN 57 N -3.89 0.41 -0.87 -0.67 -1.52 -1.26 -4.79 119.66 107.06 1x9l s GLN 57 Ca 0.30 -0.70 -0.25 0.00 -1.95 0.00 0.00 55.36 52.76 1x9l s GLN 57 Cb -0.04 0.15 -0.00 0.00 -0.22 0.00 0.00 33.01 32.90 1x9l s GLN 57 CO 0.52 -0.08 1.69 -1.25 -0.25 0.00 0.00 175.29 175.92 1x9l s PRO 58 N -1.98 2.98 0.08 2.91 0.04 -1.26 -2.31 135.00 135.45 1x9l s PRO 58 Ca -0.11 -0.41 -0.08 0.00 0.04 0.00 0.00 61.00 60.44 1x9l s PRO 58 Cb -0.06 -4.94 -0.06 0.00 0.04 0.00 0.00 34.50 29.48 1x9l s PRO 58 CO -0.03 -2.75 0.37 0.42 0.04 0.00 0.00 177.00 175.06 1x9l s ILE 59 N 7.76 5.14 -0.50 0.56 -1.09 -0.64 -4.90 121.20 127.52 1x9l s ILE 59 Ca 0.58 0.33 0.04 0.00 -2.23 0.00 0.00 60.65 59.36 1x9l s ILE 59 Cb -0.06 -3.63 0.16 0.00 -1.58 0.00 0.00 42.46 37.36 1x9l s ILE 59 CO 0.02 0.26 0.35 -1.59 -1.23 0.00 0.00 174.94 172.74 1x9l s LYS 60 N -2.01 1.41 -1.38 2.79 -2.85 -1.26 -0.87 119.74 115.57 1x9l s LYS 60 Ca 0.33 -2.38 -0.14 0.00 -1.00 0.00 0.00 55.97 52.79 1x9l s LYS 60 Cb -0.13 -2.20 0.08 0.00 -2.06 0.00 0.00 37.83 33.52 1x9l s LYS 60 CO 0.19 -1.29 2.01 1.28 0.10 0.00 0.00 175.35 177.64 1x9l n LEU 61 N 2.85 6.36 -2.90 2.77 4.77 -1.26 -4.23 117.00 125.36 1x9l n LEU 61 Ca 0.21 -4.22 -0.31 0.00 -0.03 0.00 0.00 56.01 51.66 1x9l n LEU 61 Cb 0.40 -1.64 -0.07 0.00 -2.33 0.00 0.00 43.42 39.79 1x9l n LEU 61 CO 0.18 0.96 2.54 0.52 -1.33 0.00 0.00 177.39 180.26 1x9l n VAL 62 N 4.95 4.03 -3.49 4.08 0.31 -1.26 -4.74 118.33 122.20 1x9l n VAL 62 Ca 0.48 -2.66 -0.12 0.00 -0.01 0.00 0.00 64.34 62.03 1x9l n VAL 62 Cb 0.40 -2.24 -0.03 0.00 -0.91 0.00 0.00 33.84 31.06 1x9l n VAL 62 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1x9l s GLY 63 N 1.59 -0.50 -0.46 2.92 0.00 -1.26 -4.40 107.32 105.21 1x9l s GLY 63 Ca 0.65 1.08 0.06 0.00 0.00 0.00 0.00 44.72 46.51 1x9l s GLY 63 CO -0.07 0.52 1.10 0.00 0.00 0.00 0.00 173.10 174.65 1x9l n ALA 64 N 0.10 -0.75 -1.95 3.20 0.00 -1.26 -4.59 120.51 115.27 1x9l n ALA 64 Ca -0.14 -1.50 -0.30 0.00 0.00 0.00 0.00 53.44 51.51 1x9l n ALA 64 Cb 0.61 -1.16 0.02 0.00 0.00 0.00 0.00 19.45 18.92 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 0.23 3.09 -0.19 0.00 0.00 0.61 -4.68 121.76 120.82 1x9l s ALA 65 Ca 0.23 -0.29 -0.29 0.00 0.00 0.00 0.00 51.96 51.61 1x9l s ALA 65 Cb 0.29 -2.95 0.13 0.00 0.00 0.00 0.00 23.12 20.59 1x9l s ALA 65 CO -0.06 -0.81 1.02 -0.08 0.00 0.00 0.00 175.76 175.83 1x9l s THR 66 N -3.17 0.00 -1.17 0.00 -1.32 -1.26 0.31 115.64 109.03 1x9l s THR 66 Ca 0.55 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.94 1x9l s THR 66 Cb -0.11 -1.00 -0.13 0.00 -1.51 0.00 0.00 72.50 69.75 1x9l s THR 66 CO 0.51 0.00 3.03 -0.81 -2.21 0.00 0.00 174.62 175.14 1x9l n PRO 67 N 1.06 3.13 0.00 7.08 -0.04 -1.26 -4.14 135.00 140.83 1x9l n PRO 67 Ca -0.11 -1.83 0.00 0.00 -0.04 0.00 0.00 63.50 61.53 1x9l n PRO 67 Cb 0.57 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 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 3.37 0.00 -4.61 1.53 0.00 -1.26 -4.72 117.00 111.31 1x9l n LEU 68 Ca 0.67 0.00 -0.26 0.00 0.00 0.00 0.00 56.01 56.42 1x9l n LEU 68 Cb 0.38 0.08 -0.10 0.00 0.00 0.00 0.00 43.42 43.79 1x9l n LEU 68 CO 0.66 -0.50 -0.31 0.00 0.00 0.00 0.00 177.39 177.25 1x9l s ALA 69 N -1.83 3.15 -0.23 1.96 0.00 -1.26 -0.57 121.76 122.99 1x9l s ALA 69 Ca 0.00 -2.13 0.02 0.00 0.00 0.00 0.00 51.96 49.85 1x9l s ALA 69 Cb 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 23.12 22.86 1x9l s ALA 69 CO 0.00 -0.01 -0.20 2.41 0.00 0.00 0.00 175.76 177.95 1x9l n THR 70 N -0.94 1.35 -3.61 0.00 -1.04 0.11 -4.60 114.28 105.56 1x9l n THR 70 Ca -0.04 -0.52 -0.39 0.00 -2.04 0.00 0.00 64.05 61.05 1x9l n THR 70 Cb 0.64 -1.32 -0.08 0.00 -1.82 0.00 0.00 70.33 67.76 1x9l n THR 70 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1x9l s SER 71 N -6.26 5.66 -0.98 8.00 0.15 0.68 -4.98 113.70 115.96 1x9l s SER 71 Ca -0.31 -2.76 -0.24 0.00 0.70 0.00 0.00 55.95 53.34 1x9l s SER 71 Cb 0.08 -1.95 0.03 0.00 -1.71 0.00 0.00 66.02 62.46 1x9l s SER 71 CO 0.55 -0.44 1.56 -2.16 1.20 0.00 0.00 173.24 173.95 1x9l s PRO 72 N 0.07 3.33 -0.30 5.44 0.04 -1.26 -0.56 135.00 141.76 1x9l s PRO 72 Ca 0.17 -0.88 -0.06 0.00 0.04 0.00 0.00 61.00 60.26 1x9l s PRO 72 Cb -0.18 -5.23 0.01 0.00 0.04 0.00 0.00 34.50 29.14 1x9l s PRO 72 CO -0.05 -2.48 0.07 -1.64 0.04 0.00 0.00 177.00 172.95 1x9l s MET 73 N 5.49 3.01 0.10 4.56 -1.94 0.33 -4.79 119.30 126.06 1x9l s MET 73 Ca 0.51 -0.91 -0.30 0.00 -1.71 0.00 0.00 55.69 53.29 1x9l s MET 73 Cb -0.02 -3.36 -0.06 0.00 2.01 0.00 0.00 34.83 33.40 1x9l s MET 73 CO -0.07 -0.47 0.95 -0.51 -0.01 0.00 0.00 175.02 174.92 1x9l s LEU 74 N 1.48 4.49 0.45 -0.03 1.02 -1.26 -0.22 118.68 124.60 1x9l s LEU 74 Ca 0.02 1.77 0.04 0.00 0.02 0.00 0.00 54.13 55.97 1x9l s LEU 74 Cb -0.17 -3.57 -0.04 0.00 0.02 0.00 0.00 46.19 42.43 1x9l s LEU 74 CO 0.02 -0.08 0.02 -0.04 0.02 0.00 0.00 176.35 176.30 1x9l s MET 75 N 0.08 2.04 -0.27 1.70 -1.94 -0.04 -0.94 119.30 119.93 1x9l s MET 75 Ca 0.47 -2.24 -0.20 0.00 -1.71 0.00 0.00 55.69 52.00 1x9l s MET 75 Cb -0.23 -1.40 0.07 0.00 2.01 0.00 0.00 34.83 35.28 1x9l s MET 75 CO 0.29 -0.26 0.70 -0.08 -0.01 0.00 0.00 175.02 175.66 1x9l s THR 76 N -2.90 -0.00 -0.43 2.05 -1.32 -1.26 -3.92 115.64 107.87 1x9l s THR 76 Ca 0.20 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.76 1x9l s THR 76 Cb 0.05 -0.99 0.35 0.00 -1.51 0.00 0.00 72.50 70.39 1x9l s THR 76 CO 0.10 0.00 1.14 0.41 -2.21 0.00 0.00 174.62 174.06 1x9l n THR 77 N 3.50 0.03 -3.68 5.08 -1.04 -1.12 -1.62 114.28 115.43 1x9l n THR 77 Ca -0.17 -1.89 -0.11 0.00 -2.04 0.00 0.00 64.05 59.84 1x9l n THR 77 Cb 0.57 1.14 -0.11 0.00 -1.82 0.00 0.00 70.33 70.11 1x9l n THR 77 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1x9l s THR 78 N -0.19 -0.37 -1.17 12.58 2.01 0.35 -2.63 115.64 126.22 1x9l s THR 78 Ca 0.24 0.19 -0.22 0.00 0.31 0.00 0.00 61.69 62.20 1x9l s THR 78 Cb 0.33 -0.55 -0.07 0.00 0.01 0.00 0.00 72.50 72.23 1x9l s THR 78 CO -0.06 0.08 1.92 -1.00 -0.69 0.00 0.00 174.62 174.87 1x9l s HIS 79 N 2.13 2.00 0.00 4.92 3.76 -1.26 -0.53 115.29 126.30 1x9l s HIS 79 Ca -0.03 0.34 0.00 0.00 -0.15 0.00 0.00 55.06 55.22 1x9l s HIS 79 Cb -0.11 -4.05 0.00 0.00 1.11 0.00 0.00 32.58 29.53 1x9l s HIS 79 CO -0.11 -1.28 0.00 0.45 -0.85 0.00 0.00 174.74 172.95 1x9l n SER 80 N 13.96 0.00 -0.09 1.40 2.88 -1.26 -5.12 113.62 125.39 1x9l n SER 80 Ca 0.45 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1x9l n SER 80 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1x9l n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x9l n GLY 81 N 0.00 1.48 0.25 0.46 0.00 0.31 -4.60 105.19 103.09 1x9l n GLY 81 Ca 0.00 -1.59 -0.16 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.60 0.00 -0.02 0.00 -1.75 -3.46 103.07 97.24 1x9l h GLY 82 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1x9l h GLY 82 CO 0.00 -0.22 0.00 -0.13 0.00 0.00 0.00 176.54 176.19 1x9l n MET 83 N -5.34 0.00 -2.99 4.80 0.00 -1.26 -4.79 117.12 107.55 1x9l n MET 83 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 57.70 57.33 1x9l n MET 83 Cb 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.43 1x9l n MET 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x9l n ALA 84 N -3.00 4.43 -3.12 -5.12 0.00 -1.26 -0.49 120.51 111.95 1x9l n ALA 84 Ca 0.00 -4.60 0.01 0.00 0.00 0.00 0.00 53.44 48.85 1x9l n ALA 84 Cb 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 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 -3.33 -1.32 -1.29 0.00 0.00 -0.64 -4.93 107.32 95.81 1x9l s GLY 85 Ca 0.48 0.36 -0.12 0.00 0.00 0.00 0.00 44.72 45.44 1x9l s GLY 85 CO -0.13 3.78 2.40 -0.13 0.00 0.00 0.00 173.10 179.02 1x9l n MET 86 N 4.22 2.76 -4.32 2.90 1.56 -0.88 -4.01 117.12 119.35 1x9l n MET 86 Ca 0.10 -2.11 -0.25 0.00 -0.27 0.00 0.00 57.70 55.17 1x9l n MET 86 Cb 0.58 -2.89 -0.09 0.00 2.15 0.00 0.00 33.22 32.97 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 3.20 2.11 -1.14 2.12 -2.85 -1.26 -4.92 119.74 117.00 1x9l s LYS 87 Ca 0.55 -1.86 -0.21 0.00 -1.00 0.00 0.00 55.97 53.45 1x9l s LYS 87 Cb 0.15 -1.89 0.04 0.00 -2.06 0.00 0.00 37.83 34.07 1x9l s LYS 87 CO -0.03 0.01 1.63 -1.64 0.10 0.00 0.00 175.35 175.41 1x9l s MET 88 N -3.78 3.63 0.64 1.78 -1.94 -1.26 -4.25 119.30 114.12 1x9l s MET 88 Ca 0.37 -1.44 -0.14 0.00 -1.71 0.00 0.00 55.69 52.77 1x9l s MET 88 Cb 0.03 -5.41 -0.02 0.00 2.01 0.00 0.00 34.83 31.45 1x9l s MET 88 CO 0.20 -2.40 1.07 0.14 -0.01 0.00 0.00 175.02 174.02 1x9l s VAL 89 N 5.31 3.75 0.34 -6.03 -7.23 -0.12 -4.94 120.40 111.48 1x9l s VAL 89 Ca 0.52 0.75 0.09 0.00 -1.81 0.00 0.00 61.98 61.53 1x9l s VAL 89 Cb 0.01 -3.32 0.32 0.00 0.56 0.00 0.00 36.38 33.96 1x9l s VAL 89 CO -0.01 -0.57 1.80 1.55 -0.31 0.00 0.00 175.10 177.56 1x9l h PRO 90 N 0.03 0.64 -1.48 4.82 0.13 -1.93 -3.38 132.00 130.83 1x9l h PRO 90 Ca -0.46 -0.04 0.35 0.00 -0.87 0.00 0.00 66.00 64.98 1x9l h PRO 90 Cb 1.22 -0.15 -0.11 0.00 0.13 0.00 0.00 31.00 32.09 1x9l h PRO 90 CO 0.56 0.43 0.88 1.67 -0.23 0.00 0.00 178.00 181.31 1x9l s TRP 91 N -5.73 -0.02 -0.60 1.56 -2.14 -1.26 -4.89 118.94 105.86 1x9l s TRP 91 Ca -0.10 -0.06 -0.16 0.00 2.66 0.00 0.00 56.10 58.44 1x9l s TRP 91 Cb 0.24 0.54 0.15 0.00 -3.10 0.00 0.00 33.47 31.30 1x9l s TRP 91 CO 0.80 -0.21 0.56 -0.48 -2.66 0.00 0.00 176.95 174.96 1x9l s LEU 92 N -3.15 6.26 0.05 -4.66 0.05 -1.26 -4.98 118.68 111.00 1x9l s LEU 92 Ca 0.17 -1.95 -0.30 0.00 0.05 0.00 0.00 54.13 52.11 1x9l s LEU 92 Cb 0.05 -2.21 -0.05 0.00 -2.05 0.00 0.00 46.19 41.92 1x9l s LEU 92 CO -0.04 -0.82 1.07 -0.89 -0.55 0.00 0.00 176.35 175.13 1x9l s THR 93 N 1.38 4.41 -0.40 5.48 2.01 -1.26 -4.43 115.64 122.83 1x9l s THR 93 Ca 0.06 1.79 -0.13 0.00 0.31 0.00 0.00 61.69 63.72 1x9l s THR 93 Cb -0.26 -4.15 0.03 0.00 0.01 0.00 0.00 72.50 68.13 1x9l s THR 93 CO 0.01 0.17 0.26 0.27 -0.69 0.00 0.00 174.62 174.64 1x9l s ILE 94 N 0.79 4.96 -1.46 1.82 -5.25 -0.05 -4.29 121.20 117.72 1x9l s ILE 94 Ca 0.54 -0.77 -0.14 0.00 -0.99 0.00 0.00 60.65 59.28 1x9l s ILE 94 Cb -0.25 -3.78 0.04 0.00 2.95 0.00 0.00 42.46 41.42 1x9l s ILE 94 CO 0.29 -0.30 2.23 -0.81 -1.79 0.00 0.00 174.94 174.57 1x9l n PRO 95 N 5.09 2.90 -1.13 0.37 -0.04 -1.26 -1.63 135.00 139.31 1x9l n PRO 95 Ca -0.11 -2.63 0.15 0.00 -0.04 0.00 0.00 63.50 60.86 1x9l n PRO 95 Cb 0.46 -3.26 -0.05 0.00 -0.04 0.00 0.00 33.50 30.61 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 5.95 -2.92 -1.25 0.55 0.00 -0.98 -4.82 120.51 117.04 1x9l n ALA 96 Ca 0.52 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.40 1x9l n ALA 96 Cb 0.39 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1x9l n ALA 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1x9l n ARG 97 N -3.71 -1.43 -1.47 0.00 0.00 -1.26 -4.80 116.66 103.99 1x9l n ARG 97 Ca -0.01 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.40 1x9l n ARG 97 Cb 0.52 -3.29 -0.11 0.00 0.00 0.00 0.00 32.46 29.58 1x9l n ARG 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1x9l n GLY 98 N -0.14 -0.16 2.54 5.14 0.00 -1.26 -4.78 105.19 106.53 1x9l n GLY 98 Ca 0.00 1.01 -0.20 0.00 0.00 0.00 0.00 46.02 46.83 1x9l n GLY 98 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x9l n THR 99 N 7.44 1.39 -3.64 2.61 -1.04 -1.22 -0.77 114.28 119.05 1x9l n THR 99 Ca 0.55 -4.56 -0.20 0.00 -2.04 0.00 0.00 64.05 57.79 1x9l n THR 99 Cb 0.16 -0.53 -0.02 0.00 -1.82 0.00 0.00 70.33 68.13 1x9l n THR 99 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1x9l s LEU 100 N -3.06 3.92 -0.17 -4.42 -0.00 -1.06 -4.95 118.68 108.95 1x9l s LEU 100 Ca 0.41 -0.23 -0.00 0.00 -0.00 0.00 0.00 54.13 54.31 1x9l s LEU 100 Cb 0.37 -2.62 0.04 0.00 -0.00 0.00 0.00 46.19 43.97 1x9l s LEU 100 CO -0.09 -0.35 -0.05 -0.89 -0.00 0.00 0.00 176.35 174.97 1x9l s THR 101 N -2.18 1.14 -0.46 5.48 2.01 -1.26 -1.06 115.64 119.31 1x9l s THR 101 Ca 0.42 -0.68 -0.29 0.00 0.31 0.00 0.00 61.69 61.45 1x9l s THR 101 Cb -0.09 -1.32 0.03 0.00 0.01 0.00 0.00 72.50 71.13 1x9l s THR 101 CO 0.29 0.11 1.18 -0.76 -0.69 0.00 0.00 174.62 174.75 1x9l s LEU 102 N 1.62 3.64 0.06 4.42 1.02 0.63 -4.47 118.68 125.60 1x9l s LEU 102 Ca 0.00 0.55 0.05 0.00 0.02 0.00 0.00 54.13 54.75 1x9l s LEU 102 Cb -0.16 -3.55 -0.03 0.00 0.02 0.00 0.00 46.19 42.48 1x9l s LEU 102 CO -0.08 -1.27 -0.13 -1.10 0.02 0.00 0.00 176.35 173.79 1x9l s GLN 103 N 4.50 0.82 0.08 1.70 -0.21 0.12 -2.44 119.66 124.23 1x9l s GLN 103 Ca 0.50 -0.87 -0.05 0.00 0.02 0.00 0.00 55.36 54.96 1x9l s GLN 103 Cb -0.08 -0.81 0.10 0.00 1.00 0.00 0.00 33.01 33.21 1x9l s GLN 103 CO 0.31 0.19 0.51 -2.13 -2.12 0.00 0.00 175.29 172.05 1x9l n ARG 104 N 1.51 -0.07 -3.19 2.91 0.00 -1.26 -0.96 116.66 115.61 1x9l n ARG 104 Ca -0.20 0.51 -0.21 0.00 -0.00 0.00 0.00 57.85 57.95 1x9l n ARG 104 Cb 0.54 -0.75 -0.05 0.00 0.00 0.00 0.00 32.46 32.20 1x9l n ARG 104 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1x9l n ASP 105 N -4.50 0.52 -2.71 6.15 2.03 -1.26 -4.96 116.55 111.82 1x9l n ASP 105 Ca 0.04 -2.86 -0.07 0.00 0.52 0.00 0.00 54.79 52.42 1x9l n ASP 105 Cb 0.14 -0.63 0.07 0.00 -0.72 0.00 0.00 41.12 39.98 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 0.83 -0.46 1.20 0.27 0.00 -0.13 -4.98 105.19 101.92 1x9l n GLY 106 Ca 0.23 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 1.18 -6.46 0.00 1.61 -0.08 -1.08 -3.24 116.55 108.48 1x9l n ASP 107 Ca 0.05 1.39 0.00 0.00 -1.51 0.00 0.00 54.79 54.71 1x9l n ASP 107 Cb 0.68 -3.60 0.00 0.00 2.34 0.00 0.00 41.12 40.54 1x9l n ASP 107 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x9l n HIS 108 N -2.22 0.00 -4.93 -0.67 1.44 -1.25 0.11 115.22 107.70 1x9l n HIS 108 Ca 0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 1x9l n HIS 108 Cb 0.34 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.28 1x9l n HIS 108 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1x9l s VAL 109 N -2.00 2.30 -0.45 0.61 1.01 -1.26 -0.86 120.40 119.75 1x9l s VAL 109 Ca 0.00 -0.92 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 1x9l s VAL 109 Cb 0.00 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.49 1x9l s VAL 109 CO 0.00 0.55 0.63 -0.04 0.00 0.00 0.00 175.10 176.23 1x9l s MET 110 N 0.51 3.23 -1.29 2.72 -1.94 0.69 -2.75 119.30 120.48 1x9l s MET 110 Ca -0.13 -0.51 -0.15 0.00 -1.71 0.00 0.00 55.69 53.19 1x9l s MET 110 Cb -0.17 -3.98 0.11 0.00 2.01 0.00 0.00 34.83 32.80 1x9l s MET 110 CO 0.05 -1.05 1.72 1.28 -0.01 0.00 0.00 175.02 177.01 1x9l n LEU 111 N 6.21 5.48 -4.86 -0.03 4.32 0.10 -0.52 117.00 127.70 1x9l n LEU 111 Ca -0.03 -4.21 -0.31 0.00 -0.02 0.00 0.00 56.01 51.44 1x9l n LEU 111 Cb 0.47 -1.66 -0.03 0.00 -1.62 0.00 0.00 43.42 40.57 1x9l n LEU 111 CO 0.53 0.61 0.53 -0.32 -1.22 0.00 0.00 177.39 177.52 1x9l s MET 112 N 2.76 3.86 0.00 3.23 1.75 0.27 -3.01 119.30 128.17 1x9l s MET 112 Ca 0.48 0.67 0.00 0.00 -1.25 0.00 0.00 55.69 55.59 1x9l s MET 112 Cb 0.04 -2.29 0.00 0.00 2.84 0.00 0.00 34.83 35.41 1x9l s MET 112 CO 0.02 -0.11 0.00 0.41 -0.65 0.00 0.00 175.02 174.69 1x9l n GLY 113 N -1.35 -0.11 3.60 2.11 0.00 0.09 -0.23 105.19 109.29 1x9l n GLY 113 Ca 0.04 -0.32 -0.45 0.00 0.00 0.00 0.00 46.02 45.29 1x9l n GLY 113 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1x9l n LEU 114 N -0.54 1.90 -0.05 0.99 -0.00 -1.15 0.09 117.00 118.25 1x9l n LEU 114 Ca 0.00 1.17 -0.01 0.00 -0.00 0.00 0.00 56.01 57.17 1x9l n LEU 114 Cb 0.19 -1.29 -0.01 0.00 -0.00 0.00 0.00 43.42 42.31 1x9l n LEU 114 CO 0.00 -1.29 0.03 0.11 -0.00 0.00 0.00 177.39 176.24 1x9l h LYS 115 N 2.41 -0.01 0.00 1.47 6.56 -1.14 -3.45 116.57 122.42 1x9l h LYS 115 Ca -0.41 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.18 1x9l h LYS 115 Cb 1.33 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.00 1x9l h LYS 115 CO 0.63 0.05 0.00 0.54 -2.06 0.00 0.00 179.45 178.62 1x9l n ARG 116 N -4.78 0.00 -2.30 3.15 1.74 -1.24 -5.09 116.66 108.14 1x9l n ARG 116 Ca -0.01 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 1x9l n ARG 116 Cb 0.03 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.43 1x9l n ARG 116 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1x9l s PRO 117 N 0.00 3.07 0.05 5.56 0.04 -1.26 -4.88 135.00 137.57 1x9l s PRO 117 Ca 0.00 -0.77 -0.05 0.00 0.04 0.00 0.00 61.00 60.22 1x9l s PRO 117 Cb 0.00 -5.22 -0.01 0.00 0.04 0.00 0.00 34.50 29.30 1x9l s PRO 117 CO 0.00 -2.85 0.10 -0.48 0.04 0.00 0.00 177.00 173.81 1x9l s LEU 118 N 7.64 1.83 -0.18 -3.56 0.05 -1.26 -4.65 118.68 118.56 1x9l s LEU 118 Ca 0.59 -0.62 -0.28 0.00 0.05 0.00 0.00 54.13 53.86 1x9l s LEU 118 Cb -0.03 0.63 0.10 0.00 -2.05 0.00 0.00 46.19 44.84 1x9l s LEU 118 CO -0.04 -0.56 0.87 -0.75 -0.55 0.00 0.00 176.35 175.32 1x9l s LYS 119 N -3.03 0.74 -0.48 1.48 2.47 -1.26 -5.04 119.74 114.62 1x9l s LYS 119 Ca -0.01 0.43 -0.28 0.00 -1.56 0.00 0.00 55.97 54.55 1x9l s LYS 119 Cb 0.01 0.35 -0.01 0.00 -1.46 0.00 0.00 37.83 36.73 1x9l s LYS 119 CO -0.07 -0.18 1.67 0.08 0.16 0.00 0.00 175.35 177.01 1x9l s VAL 120 N -0.55 3.58 0.00 4.02 1.01 -1.26 -4.05 120.40 123.14 1x9l s VAL 120 Ca -0.03 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1x9l s VAL 120 Cb -0.02 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1x9l s VAL 120 CO 0.02 -0.80 0.00 0.61 0.00 0.00 0.00 175.10 174.93 1x9l n GLY 121 N 5.42 -0.24 1.50 4.51 0.00 0.45 -4.99 105.19 111.84 1x9l n GLY 121 Ca 0.19 0.28 -0.12 0.00 0.00 0.00 0.00 46.02 46.36 1x9l n GLY 121 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x9l n GLU 122 N 0.00 -1.62 -4.15 1.61 4.71 -1.25 -4.63 120.64 115.31 1x9l n GLU 122 Ca 0.00 -0.76 -0.21 0.00 -0.01 0.00 0.00 57.16 56.18 1x9l n GLU 122 Cb 0.00 -0.66 -0.16 0.00 -1.01 0.00 0.00 31.44 29.60 1x9l n GLU 122 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1x9l s THR 123 N -1.91 0.58 -0.02 2.62 2.01 -1.26 -0.24 115.64 117.42 1x9l s THR 123 Ca 0.30 -0.13 0.07 0.00 0.31 0.00 0.00 61.69 62.24 1x9l s THR 123 Cb -0.02 -0.61 -0.02 0.00 0.01 0.00 0.00 72.50 71.85 1x9l s THR 123 CO 0.23 0.24 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.48 1x9l s VAL 124 N 1.03 1.79 -0.06 3.82 1.01 0.24 -4.93 120.40 123.30 1x9l s VAL 124 Ca -0.09 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.61 1x9l s VAL 124 Cb -0.14 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1x9l s VAL 124 CO -0.00 0.50 1.09 0.20 0.00 0.00 0.00 175.10 176.88 1x9l s ASN 125 N -0.55 7.18 0.98 3.32 0.01 -1.26 -0.58 114.94 124.04 1x9l s ASN 125 Ca 0.09 1.68 -0.16 0.00 -0.71 0.00 0.00 52.86 53.76 1x9l s ASN 125 Cb -0.09 -2.56 0.22 0.00 0.41 0.00 0.00 41.25 39.23 1x9l s ASN 125 CO -0.01 -0.48 1.34 -0.51 -1.51 0.00 0.00 177.10 175.93 1x9l s ILE 126 N 1.90 2.00 -0.15 0.60 2.07 0.31 -4.41 121.20 123.52 1x9l s ILE 126 Ca 0.52 -0.01 -0.04 0.00 -1.41 0.00 0.00 60.65 59.71 1x9l s ILE 126 Cb -0.22 -2.99 0.07 0.00 0.13 0.00 0.00 42.46 39.46 1x9l s ILE 126 CO 0.21 0.00 0.19 -0.89 -1.91 0.00 0.00 174.94 172.55 1x9l s THR 127 N -3.92 -0.29 0.18 4.00 2.01 0.15 -3.73 115.64 114.04 1x9l s THR 127 Ca 0.75 0.07 -0.25 0.00 0.31 0.00 0.00 61.69 62.58 1x9l s THR 127 Cb -0.03 -0.52 -0.08 0.00 0.01 0.00 0.00 72.50 71.88 1x9l s THR 127 CO 0.53 -0.07 0.78 -0.22 -0.69 0.00 0.00 174.62 174.96 1x9l s LEU 128 N 2.31 4.55 -0.40 4.42 1.98 0.46 -0.29 118.68 131.71 1x9l s LEU 128 Ca 0.05 1.63 0.04 0.00 -2.89 0.00 0.00 54.13 52.96 1x9l s LEU 128 Cb -0.14 -3.38 0.16 0.00 0.66 0.00 0.00 46.19 43.49 1x9l s LEU 128 CO -0.09 0.17 0.40 -0.75 -1.89 0.00 0.00 176.35 174.19 1x9l s LYS 129 N -1.31 0.75 0.28 1.98 2.36 -1.26 -0.69 119.74 121.85 1x9l s LYS 129 Ca 0.38 -1.22 -0.20 0.00 -2.55 0.00 0.00 55.97 52.37 1x9l s LYS 129 Cb -0.22 -0.84 -0.09 0.00 -1.05 0.00 0.00 37.83 35.63 1x9l s LYS 129 CO 0.26 -1.26 0.79 0.00 1.55 0.00 0.00 175.35 176.68 1x9l s ALA 130 N 1.00 3.33 0.60 3.13 0.00 -0.29 -3.99 121.76 125.54 1x9l s ALA 130 Ca 0.22 0.24 0.30 0.00 0.00 0.00 0.00 51.96 52.73 1x9l s ALA 130 Cb -0.10 -2.91 1.71 0.00 0.00 0.00 0.00 23.12 21.82 1x9l s ALA 130 CO -0.06 0.28 2.09 0.00 0.00 0.00 0.00 175.76 178.07 1x9l h THR 131 N 2.53 0.38 -0.48 0.00 1.03 -1.77 0.64 112.91 115.23 1x9l h THR 131 Ca -0.48 0.00 0.14 0.00 -0.01 0.00 0.00 66.41 66.06 1x9l h THR 131 Cb 1.19 0.82 -0.02 0.00 -1.07 0.00 0.00 68.15 69.07 1x9l h THR 131 CO 0.65 0.00 0.47 -0.78 -0.01 0.00 0.00 175.52 175.85 1x9l h ASP 132 N 0.00 0.00 -0.04 0.00 3.58 -1.93 -3.46 116.42 114.58 1x9l h ASP 132 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1x9l h ASP 132 Cb 0.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1x9l h ASP 132 CO -0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1x9l n GLY 133 N -1.53 0.59 3.18 -0.78 0.00 0.21 -5.13 105.19 101.73 1x9l n GLY 133 Ca 0.09 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 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 0.23 0.80 0.02 1.61 3.00 -1.20 -5.02 118.95 118.39 1x9l s ARG 134 Ca 0.00 -1.06 0.04 0.00 0.00 0.00 0.00 55.73 54.71 1x9l s ARG 134 Cb 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 34.95 35.24 1x9l s ARG 134 CO 0.00 -0.23 -0.12 0.99 0.00 0.00 0.00 175.30 175.94 1x9l s THR 135 N -3.89 0.93 0.04 0.02 2.01 -1.26 -1.14 115.64 112.36 1x9l s THR 135 Ca 0.07 -0.78 -0.17 0.00 0.31 0.00 0.00 61.69 61.12 1x9l s THR 135 Cb 0.06 -0.84 0.03 0.00 0.01 0.00 0.00 72.50 71.76 1x9l s THR 135 CO -0.10 0.06 0.37 -0.22 -0.69 0.00 0.00 174.62 174.05 1x9l s LEU 136 N -0.81 0.58 -0.40 4.42 2.96 0.14 -4.97 118.68 120.60 1x9l s LEU 136 Ca 0.01 -0.06 0.10 0.00 -0.22 0.00 0.00 54.13 53.97 1x9l s LEU 136 Cb -0.06 1.59 0.32 0.00 0.50 0.00 0.00 46.19 48.54 1x9l s LEU 136 CO 0.00 -0.64 0.70 -0.46 -1.32 0.00 0.00 176.35 174.64 1x9l n ASN 137 N 0.56 1.03 -4.76 3.68 6.94 -1.26 -0.40 115.26 121.05 1x9l n ASN 137 Ca -0.19 -3.00 -0.39 0.00 -0.02 0.00 0.00 54.58 50.98 1x9l n ASN 137 Cb 0.59 -0.62 -0.06 0.00 -2.36 0.00 0.00 39.78 37.33 1x9l n ASN 137 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1x9l s VAL 138 N -2.30 4.15 -0.14 3.53 1.01 -1.24 -4.74 120.40 120.66 1x9l s VAL 138 Ca 0.40 1.96 -0.27 0.00 0.00 0.00 0.00 61.98 64.07 1x9l s VAL 138 Cb 0.30 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1x9l s VAL 138 CO -0.09 0.41 0.90 0.00 0.00 0.00 0.00 175.10 176.33 1x9l s ALA 139 N -1.28 3.46 -0.10 5.51 0.00 -1.26 -0.53 121.76 127.57 1x9l s ALA 139 Ca 0.42 0.19 0.04 0.00 0.00 0.00 0.00 51.96 52.61 1x9l s ALA 139 Cb -0.24 -3.31 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 1x9l s ALA 139 CO 0.29 -0.61 -0.24 0.00 0.00 0.00 0.00 175.76 175.20 1x9l s ALA 140 N 2.05 2.17 -0.11 0.00 0.00 0.26 -4.15 121.76 121.97 1x9l s ALA 140 Ca 0.43 -0.98 -0.25 0.00 0.00 0.00 0.00 51.96 51.15 1x9l s ALA 140 Cb -0.17 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 1x9l s ALA 140 CO 0.15 0.30 0.82 0.99 0.00 0.00 0.00 175.76 178.02 1x9l s THR 141 N 0.28 4.93 -0.65 0.00 2.01 -0.09 -0.59 115.64 121.53 1x9l s THR 141 Ca -0.17 1.65 -0.23 0.00 0.31 0.00 0.00 61.69 63.24 1x9l s THR 141 Cb -0.18 -4.14 0.06 0.00 0.01 0.00 0.00 72.50 68.26 1x9l s THR 141 CO 0.08 0.12 0.99 -0.69 -0.69 0.00 0.00 174.62 174.43 1x9l s VAL 142 N 1.53 4.28 -0.12 3.82 1.01 0.67 -0.50 120.40 131.08 1x9l s VAL 142 Ca 0.40 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.13 1x9l s VAL 142 Cb -0.18 -4.69 0.06 0.00 0.00 0.00 0.00 36.38 31.57 1x9l s VAL 142 CO 0.17 -1.45 0.25 -0.54 0.00 0.00 0.00 175.10 173.53 1x9l s LYS 143 N 4.20 0.16 0.13 2.72 -0.14 0.12 -0.41 119.74 126.52 1x9l s LYS 143 Ca 0.24 0.67 -0.21 0.00 -1.36 0.00 0.00 55.97 55.32 1x9l s LYS 143 Cb -0.15 -0.07 -0.03 0.00 -1.68 0.00 0.00 37.83 35.89 1x9l s LYS 143 CO 0.12 -0.25 1.69 -0.22 -0.76 0.00 0.00 175.35 175.93 1x9l h LYS 144 N 7.95 -0.06 0.00 1.68 1.63 -1.85 -3.23 116.57 122.69 1x9l h LYS 144 Ca -0.22 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.64 1x9l h LYS 144 Cb 1.13 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 1x9l h LYS 144 CO 0.21 -0.04 -0.07 -1.71 -3.45 0.00 0.00 179.45 174.38 1x9l n ASN 145 N -5.23 -5.78 -4.77 4.20 2.85 -1.26 -4.69 115.26 100.58 1x9l n ASN 145 Ca -0.03 0.22 -0.38 0.00 -0.11 0.00 0.00 54.58 54.29 1x9l n ASN 145 Cb 0.15 -0.62 -0.00 0.00 1.24 0.00 0.00 39.78 40.55 1x9l n ASN 145 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1x9l s ILE 146 N -0.33 2.81 0.35 -1.44 -4.36 -1.26 -5.04 121.20 111.93 1x9l s ILE 146 Ca 0.00 0.65 -0.02 0.00 -0.26 0.00 0.00 60.65 61.01 1x9l s ILE 146 Cb 0.00 -3.34 0.01 0.00 1.25 0.00 0.00 42.46 40.38 1x9l s ILE 146 CO 0.00 0.03 0.49 -1.84 0.24 0.00 0.00 174.94 173.86 1x9l n GLU 147 N -0.37 0.71 0.00 0.37 0.28 -1.26 -5.08 120.64 115.30 1x9l n GLU 147 Ca 0.07 -2.72 0.00 0.00 -0.16 0.00 0.00 57.16 54.35 1x9l n GLU 147 Cb 0.46 2.65 0.00 0.00 1.43 0.00 0.00 31.44 35.98 1x9l n GLU 147 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x9l n GLY 148 N -0.56 -0.46 0.00 -1.84 0.00 -1.26 -5.22 105.19 95.85 1x9l n GLY 148 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1x9l n GLY 148 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19