#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 -0.30 3.35 3.17 0.00 -1.26 -5.13 105.19 105.02 1x9l n GLY 2 Ca 0.00 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.48 -0.33 0.05 1.61 5.65 -1.26 -5.19 115.29 114.35 1x9l s HIS 3 Ca 0.00 0.18 -0.22 0.00 0.25 0.00 0.00 55.06 55.27 1x9l s HIS 3 Cb 0.00 0.32 0.07 0.00 -1.18 0.00 0.00 32.58 31.79 1x9l s HIS 3 CO 0.00 -0.68 1.02 -2.37 -0.65 0.00 0.00 174.74 172.06 1x9l n THR 4 N 0.07 0.00 -2.67 0.89 5.66 -1.26 -5.13 114.28 111.84 1x9l n THR 4 Ca -0.17 -0.28 -0.04 0.00 -3.05 0.00 0.00 64.05 60.51 1x9l n THR 4 Cb 0.62 0.57 0.05 0.00 -1.55 0.00 0.00 70.33 70.02 1x9l n THR 4 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1x9l n MET 5 N -0.73 0.14 -2.54 1.09 0.00 -1.26 -5.17 117.12 108.66 1x9l n MET 5 Ca 0.02 -0.81 -0.37 0.00 0.00 0.00 0.00 57.70 56.53 1x9l n MET 5 Cb 0.50 -0.11 -0.04 0.00 0.00 0.00 0.00 33.22 33.57 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 0.61 4.23 0.09 0.03 0.04 -1.26 -5.05 135.00 133.69 1x9l s PRO 6 Ca 0.25 1.55 -0.26 0.00 0.04 0.00 0.00 61.00 62.58 1x9l s PRO 6 Cb 0.16 -2.63 0.08 0.00 0.04 0.00 0.00 34.50 32.15 1x9l s PRO 6 CO -0.10 -0.09 0.76 0.00 0.04 0.00 0.00 177.00 177.61 1x9l s ALA 7 N -1.59 -1.68 0.29 8.56 0.00 -1.26 -5.19 121.76 120.89 1x9l s ALA 7 Ca 0.56 0.66 -0.19 0.00 0.00 0.00 0.00 51.96 52.99 1x9l s ALA 7 Cb -0.23 0.66 0.06 0.00 0.00 0.00 0.00 23.12 23.61 1x9l s ALA 7 CO 0.29 -0.76 0.89 -1.58 0.00 0.00 0.00 175.76 174.60 1x9l s HIS 8 N -3.45 0.07 -0.41 0.00 2.46 -1.26 -5.13 115.29 107.57 1x9l s HIS 8 Ca 0.04 -0.61 0.03 0.00 0.47 0.00 0.00 55.06 54.99 1x9l s HIS 8 Cb -0.01 0.77 0.27 0.00 -0.13 0.00 0.00 32.58 33.48 1x9l s HIS 8 CO -0.09 -1.27 1.09 -2.37 -2.47 0.00 0.00 174.74 169.63 1x9l n THR 9 N -0.58 0.00 -2.02 0.89 5.66 -1.26 -5.14 114.28 111.83 1x9l n THR 9 Ca -0.06 -1.10 -0.42 0.00 -3.05 0.00 0.00 64.05 59.42 1x9l n THR 9 Cb 0.60 1.30 -0.03 0.00 -1.55 0.00 0.00 70.33 70.65 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 0.37 4.20 0.75 1.09 0.04 -1.26 -5.00 135.00 135.19 1x9l s PRO 10 Ca 0.28 2.18 -0.10 0.00 0.04 0.00 0.00 61.00 63.40 1x9l s PRO 10 Cb 0.23 -3.87 0.06 0.00 0.04 0.00 0.00 34.50 30.96 1x9l s PRO 10 CO -0.16 -0.79 1.10 -1.25 0.04 0.00 0.00 177.00 175.94 1x9l s PRO 11 N 3.60 2.26 0.15 0.56 0.04 -1.26 -5.11 135.00 135.24 1x9l s PRO 11 Ca 0.72 0.07 -0.21 0.00 0.04 0.00 0.00 61.00 61.62 1x9l s PRO 11 Cb -0.34 -2.04 0.06 0.00 0.04 0.00 0.00 34.50 32.22 1x9l s PRO 11 CO 0.29 -1.33 0.55 0.00 0.04 0.00 0.00 177.00 176.55 1x9l s ALA 12 N -3.41 -1.43 0.05 8.56 0.00 -1.26 -5.19 121.76 119.08 1x9l s ALA 12 Ca 0.60 0.37 -0.28 0.00 0.00 0.00 0.00 51.96 52.66 1x9l s ALA 12 Cb -0.11 0.82 0.10 0.00 0.00 0.00 0.00 23.12 23.93 1x9l s ALA 12 CO 0.48 -0.73 1.18 1.14 0.00 0.00 0.00 175.76 177.83 1x9l s GLN 13 N -3.70 0.71 0.27 0.00 -2.07 -1.26 -5.20 119.66 108.41 1x9l s GLN 13 Ca 0.01 -0.41 -0.17 0.00 -1.82 0.00 0.00 55.36 52.97 1x9l s GLN 13 Cb -0.00 0.23 0.06 0.00 -1.09 0.00 0.00 33.01 32.21 1x9l s GLN 13 CO -0.12 -0.33 0.86 -2.37 -1.32 0.00 0.00 175.29 172.01 1x9l n THR 14 N -0.56 0.00 -2.70 3.63 5.66 -1.26 -5.14 114.28 113.91 1x9l n THR 14 Ca -0.06 -0.72 -0.05 0.00 -3.05 0.00 0.00 64.05 60.17 1x9l n THR 14 Cb 0.61 0.82 0.05 0.00 -1.55 0.00 0.00 70.33 70.27 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 -0.81 -3.01 -2.21 1.79 0.00 -1.26 -5.15 120.51 109.85 1x9l n ALA 15 Ca -0.14 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.38 1x9l n ALA 15 Cb 0.55 -2.66 -0.03 0.00 0.00 0.00 0.00 19.45 17.31 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 0.59 4.37 -1.00 0.00 0.04 -1.26 -4.92 135.00 132.82 1x9l s PRO 16 Ca 0.27 1.98 -0.24 0.00 0.04 0.00 0.00 61.00 63.05 1x9l s PRO 16 Cb 0.16 -3.27 -0.06 0.00 0.04 0.00 0.00 34.50 31.37 1x9l s PRO 16 CO -0.12 -0.35 1.93 0.00 0.04 0.00 0.00 177.00 178.51 1x9l s ALA 17 N 0.92 1.74 -0.72 8.56 0.00 -1.26 -4.87 121.76 126.13 1x9l s ALA 17 Ca 0.61 -1.74 -0.13 0.00 0.00 0.00 0.00 51.96 50.71 1x9l s ALA 17 Cb -0.35 -4.59 -0.10 0.00 0.00 0.00 0.00 23.12 18.08 1x9l s ALA 17 CO 0.31 -4.91 1.90 0.00 0.00 0.00 0.00 175.76 173.06 1x9l n ALA 18 N 13.95 3.60 -1.47 0.00 0.00 -1.26 -4.82 120.51 130.50 1x9l n ALA 18 Ca 0.42 -2.33 -0.42 0.00 0.00 0.00 0.00 53.44 51.10 1x9l n ALA 18 Cb 0.47 -3.23 -0.03 0.00 0.00 0.00 0.00 19.45 16.66 1x9l n ALA 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1x9l n GLN 19 N 5.55 2.15 -1.74 0.00 6.02 -1.26 -4.87 117.38 123.22 1x9l n GLN 19 Ca 0.42 -2.24 -0.35 0.00 -0.01 0.00 0.00 57.00 54.82 1x9l n GLN 19 Cb 0.24 -3.12 -0.05 0.00 1.02 0.00 0.00 30.24 28.32 1x9l n GLN 19 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1x9l n LYS 20 N 6.69 1.71 -1.69 -1.09 5.02 -1.26 -4.87 118.16 122.67 1x9l n LYS 20 Ca 0.51 -2.30 -0.25 0.00 -2.02 0.00 0.00 58.31 54.25 1x9l n LYS 20 Cb 0.40 -3.39 -0.09 0.00 -0.02 0.00 0.00 35.03 31.93 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 11.11 1.21 -1.71 7.82 0.00 -1.26 -4.91 120.51 132.78 1x9l n ALA 21 Ca 0.47 -2.71 -0.59 0.00 0.00 0.00 0.00 53.44 50.61 1x9l n ALA 21 Cb 0.44 -3.46 -0.08 0.00 0.00 0.00 0.00 19.45 16.35 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 5.77 0.71 3.05 0.00 0.00 -1.26 -4.81 105.19 108.65 1x9l n GLY 22 Ca 0.44 0.93 -0.42 0.00 0.00 0.00 0.00 46.02 46.97 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 4.96 3.89 -0.52 4.61 0.00 -1.26 -4.77 120.51 127.42 1x9l n ALA 23 Ca 0.27 -3.49 0.00 0.00 0.00 0.00 0.00 53.44 50.21 1x9l n ALA 23 Cb 0.10 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 15.95 1x9l n ALA 23 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1x9l n GLN 24 N 6.91 -1.39 -3.81 0.00 7.27 -1.26 -5.12 117.38 119.98 1x9l n GLN 24 Ca 0.50 1.07 -0.09 0.00 0.07 0.00 0.00 57.00 58.55 1x9l n GLN 24 Cb 0.41 -1.31 -0.03 0.00 2.41 0.00 0.00 30.24 31.72 1x9l n GLN 24 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1x9l s ALA 25 N -4.01 -0.99 0.08 1.69 0.00 -1.26 -5.16 121.76 112.11 1x9l s ALA 25 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.66 1x9l s ALA 25 Cb 0.00 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 1x9l s ALA 25 CO 0.00 -0.91 -0.06 -0.48 0.00 0.00 0.00 175.76 174.31 1x9l s LEU 26 N -2.91 2.46 0.11 0.00 -0.00 -1.26 -5.09 118.68 111.99 1x9l s LEU 26 Ca 0.12 -0.91 -0.06 0.00 -0.00 0.00 0.00 54.13 53.28 1x9l s LEU 26 Cb -0.03 -0.04 -0.16 0.00 -0.00 0.00 0.00 46.19 45.97 1x9l s LEU 26 CO 0.03 -0.44 1.25 1.55 -0.00 0.00 0.00 176.35 178.73 1x9l h PRO 27 N 3.30 0.41 -4.85 1.48 0.13 -1.94 -3.37 132.00 127.16 1x9l h PRO 27 Ca -0.35 -0.49 -0.37 0.00 -0.87 0.00 0.00 66.00 63.91 1x9l h PRO 27 Cb 1.17 0.15 -0.14 0.00 0.13 0.00 0.00 31.00 32.31 1x9l h PRO 27 CO 0.60 1.16 -0.58 0.14 -0.23 0.00 0.00 178.00 179.09 1x9l s VAL 28 N -3.11 0.36 -1.40 1.56 -7.23 -1.26 -4.53 120.40 104.78 1x9l s VAL 28 Ca -0.06 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 57.98 1x9l s VAL 28 Cb 0.08 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 1x9l s VAL 28 CO 0.88 0.00 2.42 0.35 -0.31 0.00 0.00 175.10 178.44 1x9l n THR 29 N -0.51 3.48 -2.94 5.32 -2.24 -1.25 -4.81 114.28 111.35 1x9l n THR 29 Ca 0.01 -2.63 -0.44 0.00 -2.27 0.00 0.00 64.05 58.72 1x9l n THR 29 Cb 0.65 -2.55 -0.02 0.00 -2.10 0.00 0.00 70.33 66.31 1x9l n THR 29 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1x9l s VAL 30 N 3.08 4.78 -0.12 2.28 0.11 -1.26 -4.63 120.40 124.65 1x9l s VAL 30 Ca 0.55 -1.71 -0.08 0.00 -2.93 0.00 0.00 61.98 57.81 1x9l s VAL 30 Cb 0.15 -4.79 0.04 0.00 -1.53 0.00 0.00 36.38 30.25 1x9l s VAL 30 CO -0.06 -1.51 0.29 -1.58 -3.33 0.00 0.00 175.10 168.91 1x9l s GLN 31 N 2.51 0.29 0.59 1.54 -0.44 -1.26 -4.97 119.66 117.92 1x9l s GLN 31 Ca 0.33 0.51 -0.16 0.00 -2.50 0.00 0.00 55.36 53.55 1x9l s GLN 31 Cb -0.05 0.02 -0.04 0.00 -1.64 0.00 0.00 33.01 31.30 1x9l s GLN 31 CO -0.09 -0.11 1.05 0.20 0.50 0.00 0.00 175.29 176.85 1x9l s GLY 32 N 0.79 2.11 0.31 2.59 0.00 -1.26 -4.90 107.32 106.97 1x9l s GLY 32 Ca -0.05 0.37 0.04 0.00 0.00 0.00 0.00 44.72 45.08 1x9l s GLY 32 CO -0.05 0.68 0.46 0.00 0.00 0.00 0.00 173.10 174.19 1x9l s ALA 33 N -2.48 3.99 0.05 3.20 0.00 -0.05 -4.76 121.76 121.71 1x9l s ALA 33 Ca 0.63 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 1x9l s ALA 33 Cb -0.16 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1x9l s ALA 33 CO 0.37 0.03 -0.03 0.95 0.00 0.00 0.00 175.76 177.08 1x9l s THR 34 N -2.17 0.24 -0.02 0.00 -4.23 -0.90 -2.41 115.64 106.15 1x9l s THR 34 Ca 0.41 -1.64 0.02 0.00 -1.18 0.00 0.00 61.69 59.30 1x9l s THR 34 Cb -0.09 -1.28 0.00 0.00 1.34 0.00 0.00 72.50 72.47 1x9l s THR 34 CO 0.32 -0.89 -0.07 -0.69 -0.54 0.00 0.00 174.62 172.75 1x9l s VAL 35 N -3.40 0.61 -0.12 2.29 1.01 0.21 -0.22 120.40 120.78 1x9l s VAL 35 Ca 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 1x9l s VAL 35 Cb 0.04 -0.55 0.06 0.00 0.00 0.00 0.00 36.38 35.93 1x9l s VAL 35 CO -0.08 0.20 2.11 0.00 0.00 0.00 0.00 175.10 177.33 1x9l n ALA 36 N 3.32 4.56 -0.07 5.51 0.00 -1.24 -0.62 120.51 131.97 1x9l n ALA 36 Ca -0.18 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1x9l n ALA 36 Cb 0.55 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 1.14 0.00 -2.67 0.00 0.00 -1.26 -3.94 120.51 113.78 1x9l n ALA 37 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.20 1x9l n ALA 37 Cb 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.92 1x9l n ALA 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1x9l s VAL 38 N 0.00 5.27 1.24 0.00 -7.23 -1.26 -4.65 120.40 113.75 1x9l s VAL 38 Ca 0.00 0.50 -0.17 0.00 -1.81 0.00 0.00 61.98 60.50 1x9l s VAL 38 Cb 0.00 -3.64 0.30 0.00 0.56 0.00 0.00 36.38 33.60 1x9l s VAL 38 CO 0.00 0.29 1.02 -2.84 -0.31 0.00 0.00 175.10 173.26 1x9l s PRO 39 N 1.17 -1.47 -0.63 4.82 0.02 -1.25 -4.87 135.00 132.78 1x9l s PRO 39 Ca 0.15 0.38 -0.06 0.00 0.02 0.00 0.00 61.00 61.49 1x9l s PRO 39 Cb -0.14 -1.53 -0.15 0.00 0.02 0.00 0.00 34.50 32.71 1x9l s PRO 39 CO 0.06 -3.97 2.79 -0.35 -0.33 0.00 0.00 177.00 175.20 1x9l n PRO 40 N -5.03 2.26 -3.09 5.54 -0.04 -1.26 -4.40 135.00 128.98 1x9l n PRO 40 Ca 0.08 -1.31 -0.17 0.00 -0.04 0.00 0.00 63.50 62.06 1x9l n PRO 40 Cb 0.58 -2.26 -0.01 0.00 -0.04 0.00 0.00 33.50 31.76 1x9l n PRO 40 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x9l n SER 41 N 3.21 -0.02 -0.47 3.54 7.64 -1.26 -5.10 113.62 121.17 1x9l n SER 41 Ca 0.48 -3.07 0.06 0.00 1.01 0.00 0.00 58.87 57.35 1x9l n SER 41 Cb 0.47 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 1x9l n SER 41 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1x9l n ILE 42 N 0.60 -0.18 -0.87 0.44 2.08 -1.26 -4.38 119.36 115.79 1x9l n ILE 42 Ca 0.20 0.25 -0.11 0.00 0.56 0.00 0.00 62.75 63.65 1x9l n ILE 42 Cb 0.64 -0.40 -0.15 0.00 -0.75 0.00 0.00 39.64 38.98 1x9l n ILE 42 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 1x9l n ARG 43 N -2.90 1.75 -4.11 0.38 1.85 -1.26 -4.70 116.66 107.67 1x9l n ARG 43 Ca -0.02 -0.88 -0.08 0.00 -1.00 0.00 0.00 57.85 55.87 1x9l n ARG 43 Cb 0.22 -1.94 -0.10 0.00 -1.05 0.00 0.00 32.46 29.59 1x9l n ARG 43 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1x9l s ASP 44 N 2.13 0.68 0.09 2.89 2.15 -1.26 -1.13 116.67 122.23 1x9l s ASP 44 Ca 0.58 -0.99 -0.23 0.00 0.43 0.00 0.00 52.55 52.34 1x9l s ASP 44 Cb 0.28 0.17 0.08 0.00 -0.30 0.00 0.00 42.92 43.14 1x9l s ASP 44 CO -0.00 -0.55 1.08 1.07 -0.17 0.00 0.00 175.17 176.60 1x9l n THR 45 N 0.09 0.00 -4.12 1.71 5.66 -1.22 -4.28 114.28 112.12 1x9l n THR 45 Ca -0.14 -0.38 -0.08 0.00 -3.05 0.00 0.00 64.05 60.40 1x9l n THR 45 Cb 0.61 0.66 -0.10 0.00 -1.55 0.00 0.00 70.33 69.95 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 -1.98 0.68 0.46 1.79 0.00 -1.26 -0.63 121.76 120.82 1x9l s ALA 46 Ca 0.25 -1.30 -0.10 0.00 0.00 0.00 0.00 51.96 50.81 1x9l s ALA 46 Cb -0.02 0.40 -0.06 0.00 0.00 0.00 0.00 23.12 23.44 1x9l s ALA 46 CO 0.03 -0.38 0.83 0.00 0.00 0.00 0.00 175.76 176.24 1x9l s ALA 47 N -3.90 3.30 -0.23 0.00 0.00 -0.79 -3.63 121.76 116.51 1x9l s ALA 47 Ca 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 1x9l s ALA 47 Cb 0.07 -2.77 0.07 0.00 0.00 0.00 0.00 23.12 20.49 1x9l s ALA 47 CO -0.06 -0.20 0.01 0.71 0.00 0.00 0.00 175.76 176.22 1x9l s TYR 48 N -2.58 1.74 0.27 0.00 1.51 0.70 -3.87 117.35 115.12 1x9l s TYR 48 Ca 0.52 -1.39 -0.08 0.00 -1.01 0.00 0.00 57.07 55.11 1x9l s TYR 48 Cb -0.10 -1.38 0.03 0.00 -0.11 0.00 0.00 41.96 40.40 1x9l s TYR 48 CO 0.37 -0.72 0.49 0.00 -1.11 0.00 0.00 175.55 174.59 1x9l n MET 49 N 4.85 0.71 -3.94 -0.62 0.00 -0.34 -2.12 117.12 115.66 1x9l n MET 49 Ca -0.09 -1.64 -0.28 0.00 0.00 0.00 0.00 57.70 55.68 1x9l n MET 49 Cb 0.45 1.91 -0.17 0.00 0.00 0.00 0.00 33.22 35.41 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 -2.46 1.24 -0.48 3.17 2.01 -1.26 -0.97 115.64 116.89 1x9l s THR 50 Ca 0.13 -0.48 -0.29 0.00 0.31 0.00 0.00 61.69 61.37 1x9l s THR 50 Cb -0.03 -1.25 0.02 0.00 0.01 0.00 0.00 72.50 71.26 1x9l s THR 50 CO 0.10 0.36 1.24 -0.76 -0.69 0.00 0.00 174.62 174.87 1x9l s LEU 51 N 1.61 3.58 -1.16 4.42 1.02 -0.06 -4.65 118.68 123.45 1x9l s LEU 51 Ca 0.04 0.51 -0.06 0.00 0.02 0.00 0.00 54.13 54.64 1x9l s LEU 51 Cb -0.13 -3.47 0.25 0.00 0.02 0.00 0.00 46.19 42.86 1x9l s LEU 51 CO -0.09 -1.37 1.62 0.41 0.02 0.00 0.00 176.35 176.94 1x9l n THR 52 N 6.91 4.94 -2.89 5.49 -1.04 -1.26 -1.72 114.28 124.70 1x9l n THR 52 Ca 0.13 -5.34 -0.41 0.00 -2.04 0.00 0.00 64.05 56.39 1x9l n THR 52 Cb 0.49 -2.20 -0.04 0.00 -1.82 0.00 0.00 70.33 66.75 1x9l n THR 52 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1x9l s ASN 53 N -0.62 7.17 -0.39 8.00 3.84 -1.14 -3.78 114.94 128.02 1x9l s ASN 53 Ca 0.34 1.42 0.12 0.00 0.21 0.00 0.00 52.86 54.95 1x9l s ASN 53 Cb 0.06 -2.49 0.39 0.00 -0.55 0.00 0.00 41.25 38.66 1x9l s ASN 53 CO 0.06 -0.17 0.85 0.29 -2.79 0.00 0.00 177.10 175.34 1x9l n LYS 54 N 3.78 1.48 -3.74 0.43 5.02 -1.26 -4.24 118.16 119.62 1x9l n LYS 54 Ca 0.02 -3.61 -0.09 0.00 -2.02 0.00 0.00 58.31 52.61 1x9l n LYS 54 Cb 0.51 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 1x9l n LYS 54 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1x9l s SER 55 N -2.85 -0.31 -0.31 4.39 1.04 -1.26 -4.57 113.70 109.83 1x9l s SER 55 Ca 0.38 -0.47 0.09 0.00 0.48 0.00 0.00 55.95 56.43 1x9l s SER 55 Cb 0.38 0.64 0.58 0.00 0.10 0.00 0.00 66.02 67.72 1x9l s SER 55 CO -0.06 -1.15 1.61 -0.90 0.98 0.00 0.00 173.24 173.72 1x9l n ASP 56 N -0.40 3.35 -4.40 7.02 5.75 -1.26 -1.11 116.55 125.51 1x9l n ASP 56 Ca -0.08 -3.53 -0.33 0.00 -0.01 0.00 0.00 54.79 50.84 1x9l n ASP 56 Cb 0.62 -0.68 -0.14 0.00 -1.03 0.00 0.00 41.12 39.88 1x9l n ASP 56 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1x9l s GLN 57 N -3.15 2.96 -0.06 0.11 1.11 -1.26 -4.87 119.66 114.49 1x9l s GLN 57 Ca 0.49 -0.71 -0.30 0.00 0.01 0.00 0.00 55.36 54.85 1x9l s GLN 57 Cb 0.42 -2.48 -0.04 0.00 -1.01 0.00 0.00 33.01 29.89 1x9l s GLN 57 CO 0.06 0.39 1.45 -1.25 0.01 0.00 0.00 175.29 175.95 1x9l s PRO 58 N -0.12 4.23 -0.48 2.91 0.04 -1.26 -3.24 135.00 137.08 1x9l s PRO 58 Ca -0.02 1.96 0.04 0.00 0.04 0.00 0.00 61.00 63.02 1x9l s PRO 58 Cb -0.14 -3.77 0.16 0.00 0.04 0.00 0.00 34.50 30.80 1x9l s PRO 58 CO 0.04 -0.70 0.36 0.42 0.04 0.00 0.00 177.00 177.15 1x9l s ILE 59 N 3.26 1.03 1.02 0.56 1.01 -1.10 -4.83 121.20 122.13 1x9l s ILE 59 Ca 0.65 -2.94 -0.17 0.00 0.00 0.00 0.00 60.65 58.18 1x9l s ILE 59 Cb -0.29 -1.70 0.24 0.00 0.01 0.00 0.00 42.46 40.71 1x9l s ILE 59 CO 0.24 -1.13 1.34 2.29 0.00 0.00 0.00 174.94 177.69 1x9l n LYS 60 N 2.81 -1.46 -3.68 2.79 2.85 -1.26 -4.42 118.16 115.79 1x9l n LYS 60 Ca 0.24 -2.08 -0.12 0.00 -1.05 0.00 0.00 58.31 55.30 1x9l n LYS 60 Cb 0.43 -1.42 -0.09 0.00 -0.65 0.00 0.00 35.03 33.30 1x9l n LYS 60 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1x9l s LEU 61 N 0.00 -0.29 -0.39 -5.58 1.98 -1.26 -4.64 118.68 108.50 1x9l s LEU 61 Ca 0.77 1.16 0.11 0.00 -2.89 0.00 0.00 54.13 53.27 1x9l s LEU 61 Cb -0.02 1.90 0.38 0.00 0.66 0.00 0.00 46.19 49.11 1x9l s LEU 61 CO 0.54 -0.20 1.09 0.55 -1.89 0.00 0.00 176.35 176.43 1x9l n VAL 62 N 3.36 0.20 -3.54 1.68 3.14 0.16 -4.11 118.33 119.23 1x9l n VAL 62 Ca -0.17 -2.44 -0.14 0.00 -2.96 0.00 0.00 64.34 58.63 1x9l n VAL 62 Cb 0.56 0.82 -0.05 0.00 -1.06 0.00 0.00 33.84 34.11 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 -1.90 -0.44 -0.48 7.55 0.00 -0.53 -4.66 107.32 106.85 1x9l s GLY 63 Ca 0.27 1.57 0.06 0.00 0.00 0.00 0.00 44.72 46.62 1x9l s GLY 63 CO -0.05 0.92 0.83 0.00 0.00 0.00 0.00 173.10 174.81 1x9l n ALA 64 N 0.71 -1.03 -1.96 3.20 0.00 -1.25 -3.21 120.51 116.97 1x9l n ALA 64 Ca -0.15 -1.59 -0.39 0.00 0.00 0.00 0.00 53.44 51.32 1x9l n ALA 64 Cb 0.58 -1.29 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 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 0.52 3.42 -0.22 0.00 0.00 0.29 -4.71 121.76 121.06 1x9l s ALA 65 Ca 0.32 0.38 -0.28 0.00 0.00 0.00 0.00 51.96 52.38 1x9l s ALA 65 Cb 0.20 -2.98 0.12 0.00 0.00 0.00 0.00 23.12 20.47 1x9l s ALA 65 CO -0.22 0.28 1.01 -0.08 0.00 0.00 0.00 175.76 176.75 1x9l s THR 66 N -1.22 0.00 -0.44 0.00 -1.32 -1.26 -0.10 115.64 111.31 1x9l s THR 66 Ca 0.38 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.79 1x9l s THR 66 Cb -0.22 -1.00 -0.19 0.00 -1.51 0.00 0.00 72.50 69.57 1x9l s THR 66 CO 0.26 0.00 3.15 -0.81 -2.21 0.00 0.00 174.62 175.01 1x9l n PRO 67 N 1.47 2.25 0.08 7.08 -0.04 -1.26 -3.93 135.00 140.65 1x9l n PRO 67 Ca -0.12 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 1x9l n PRO 67 Cb 0.57 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 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 2.90 0.47 -4.52 1.53 7.94 -1.26 -4.62 117.00 119.44 1x9l n LEU 68 Ca 0.48 0.27 -0.25 0.00 -1.11 0.00 0.00 56.01 55.40 1x9l n LEU 68 Cb 0.64 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.49 1x9l n LEU 68 CO 0.34 -0.74 -0.42 0.00 -1.11 0.00 0.00 177.39 175.46 1x9l s ALA 69 N -2.00 2.90 -0.11 1.96 0.00 -1.25 -1.30 121.76 121.95 1x9l s ALA 69 Ca 0.00 -1.96 -0.13 0.00 0.00 0.00 0.00 51.96 49.87 1x9l s ALA 69 Cb 0.00 -0.21 -0.26 0.00 0.00 0.00 0.00 23.12 22.64 1x9l s ALA 69 CO 0.00 0.18 0.47 1.15 0.00 0.00 0.00 175.76 177.56 1x9l h THR 70 N 2.11 0.86 -3.24 0.00 2.02 0.06 -3.44 112.91 111.28 1x9l h THR 70 Ca -0.41 -2.37 -0.63 0.00 0.77 0.00 0.00 66.41 63.77 1x9l h THR 70 Cb 1.25 2.59 -0.41 0.00 -1.74 0.00 0.00 68.15 69.85 1x9l h THR 70 CO 0.65 0.75 -0.67 -0.55 0.37 0.00 0.00 175.52 176.07 1x9l s SER 71 N -7.05 4.08 -1.12 4.18 0.15 0.68 -5.00 113.70 109.62 1x9l s SER 71 Ca -0.21 -2.88 -0.22 0.00 0.70 0.00 0.00 55.95 53.34 1x9l s SER 71 Cb 0.05 -1.43 0.02 0.00 -1.71 0.00 0.00 66.02 62.95 1x9l s SER 71 CO 0.76 -0.24 1.70 -2.16 1.20 0.00 0.00 173.24 174.50 1x9l s PRO 72 N -0.07 3.38 -0.29 5.44 0.04 -1.26 -0.73 135.00 141.51 1x9l s PRO 72 Ca 0.17 -1.28 -0.26 0.00 0.04 0.00 0.00 61.00 59.67 1x9l s PRO 72 Cb -0.25 -5.35 0.01 0.00 0.04 0.00 0.00 34.50 28.94 1x9l s PRO 72 CO 0.00 -2.70 0.91 -1.64 0.04 0.00 0.00 177.00 173.60 1x9l s MET 73 N 5.30 4.07 -0.03 4.56 -1.94 0.45 -4.87 119.30 126.84 1x9l s MET 73 Ca 0.56 0.88 -0.30 0.00 -1.71 0.00 0.00 55.69 55.12 1x9l s MET 73 Cb 0.00 -3.70 -0.02 0.00 2.01 0.00 0.00 34.83 33.11 1x9l s MET 73 CO 0.01 -0.70 0.98 -0.51 -0.01 0.00 0.00 175.02 174.79 1x9l s LEU 74 N 3.16 4.33 0.01 -0.03 1.43 -1.26 -0.13 118.68 126.19 1x9l s LEU 74 Ca 0.38 1.61 0.03 0.00 -1.03 0.00 0.00 54.13 55.12 1x9l s LEU 74 Cb -0.14 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 1x9l s LEU 74 CO 0.11 -0.31 -0.06 -0.32 0.23 0.00 0.00 176.35 176.00 1x9l s MET 75 N 1.30 2.55 0.72 1.70 1.75 0.52 -1.37 119.30 126.46 1x9l s MET 75 Ca 0.51 -0.73 -0.07 0.00 -1.25 0.00 0.00 55.69 54.14 1x9l s MET 75 Cb -0.20 -2.50 0.06 0.00 2.84 0.00 0.00 34.83 35.03 1x9l s MET 75 CO 0.25 0.60 1.03 0.99 -0.65 0.00 0.00 175.02 177.24 1x9l s THR 76 N -1.02 2.24 0.58 10.11 2.01 -0.41 -2.28 115.64 126.87 1x9l s THR 76 Ca 0.18 -0.24 0.08 0.00 0.31 0.00 0.00 61.69 62.01 1x9l s THR 76 Cb -0.11 -3.00 0.09 0.00 0.01 0.00 0.00 72.50 69.49 1x9l s THR 76 CO 0.08 0.00 0.81 0.28 -0.69 0.00 0.00 174.62 175.10 1x9l s THR 77 N -3.28 2.24 -1.17 -0.82 -1.32 -1.26 -0.88 115.64 109.14 1x9l s THR 77 Ca 0.60 -0.92 -0.07 0.00 -1.21 0.00 0.00 61.69 60.09 1x9l s THR 77 Cb -0.11 -2.31 0.24 0.00 -1.51 0.00 0.00 72.50 68.81 1x9l s THR 77 CO 0.45 0.00 1.59 0.41 -2.21 0.00 0.00 174.62 174.86 1x9l n THR 78 N -2.31 4.81 -3.17 5.08 -1.04 -1.26 -0.29 114.28 116.09 1x9l n THR 78 Ca 0.15 -5.21 -0.09 0.00 -2.04 0.00 0.00 64.05 56.85 1x9l n THR 78 Cb 0.61 -2.27 0.01 0.00 -1.82 0.00 0.00 70.33 66.86 1x9l n THR 78 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1x9l n HIS 79 N 2.78 -2.92 -2.70 -1.42 -0.00 -1.15 -4.81 115.22 105.00 1x9l n HIS 79 Ca 0.32 1.15 -0.07 0.00 0.46 0.00 0.00 57.72 59.58 1x9l n HIS 79 Cb 0.36 -3.70 0.09 0.00 -0.12 0.00 0.00 29.99 26.62 1x9l n HIS 79 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1x9l n SER 80 N -1.47 -1.85 0.00 0.26 2.88 -1.26 -5.00 113.62 107.18 1x9l n SER 80 Ca -0.04 -2.65 0.00 0.00 -1.33 0.00 0.00 58.87 54.85 1x9l n SER 80 Cb 0.54 1.31 0.00 0.00 -0.75 0.00 0.00 64.21 65.31 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 -0.18 1.92 3.51 0.46 0.00 -1.26 -4.67 105.19 104.97 1x9l n GLY 81 Ca -0.04 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 1x9l n GLY 81 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x9l s GLY 82 N 0.00 1.52 0.00 -0.02 0.00 -1.26 -5.01 107.32 102.55 1x9l s GLY 82 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1x9l s GLY 82 CO 0.00 0.25 0.13 1.03 0.00 0.00 0.00 173.10 174.51 1x9l n MET 83 N -4.90 0.00 -1.20 2.90 2.81 -1.26 -3.34 117.12 112.13 1x9l n MET 83 Ca 0.08 0.04 -0.01 0.00 -1.81 0.00 0.00 57.70 56.00 1x9l n MET 83 Cb 0.58 -0.63 0.01 0.00 -0.71 0.00 0.00 33.22 32.47 1x9l n MET 83 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x9l n ALA 84 N -2.41 -0.46 0.00 3.04 0.00 -1.05 -2.93 120.51 116.70 1x9l n ALA 84 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1x9l n ALA 84 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.19 2.90 3.56 0.00 0.00 0.61 -4.73 105.19 107.33 1x9l n GLY 85 Ca -0.06 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 1x9l n GLY 85 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1x9l s MET 86 N -1.04 2.23 0.08 1.61 1.75 -1.25 -4.24 119.30 118.43 1x9l s MET 86 Ca 0.00 0.37 -0.02 0.00 -1.25 0.00 0.00 55.69 54.79 1x9l s MET 86 Cb 0.00 -4.77 -0.03 0.00 2.84 0.00 0.00 34.83 32.86 1x9l s MET 86 CO 0.00 -3.54 0.03 -1.59 -0.65 0.00 0.00 175.02 169.27 1x9l s LYS 87 N 7.74 0.73 -0.48 4.11 -2.85 -1.26 -4.94 119.74 122.79 1x9l s LYS 87 Ca 0.80 -1.23 -0.27 0.00 -1.00 0.00 0.00 55.97 54.27 1x9l s LYS 87 Cb -0.11 0.24 0.03 0.00 -2.06 0.00 0.00 37.83 35.93 1x9l s LYS 87 CO 0.10 -0.18 1.03 -1.64 0.10 0.00 0.00 175.35 174.76 1x9l s MET 88 N -3.94 3.59 0.36 1.78 -1.94 -1.26 -1.29 119.30 116.59 1x9l s MET 88 Ca 0.11 0.29 0.08 0.00 -1.71 0.00 0.00 55.69 54.46 1x9l s MET 88 Cb 0.07 -3.94 -0.03 0.00 2.01 0.00 0.00 34.83 32.95 1x9l s MET 88 CO -0.07 -1.34 0.27 0.14 -0.01 0.00 0.00 175.02 174.01 1x9l s VAL 89 N 4.14 3.13 0.22 -6.03 -7.23 -0.47 -5.00 120.40 109.15 1x9l s VAL 89 Ca 0.41 -1.46 -0.13 0.00 -1.81 0.00 0.00 61.98 58.99 1x9l s VAL 89 Cb -0.09 -3.08 0.26 0.00 0.56 0.00 0.00 36.38 34.03 1x9l s VAL 89 CO 0.28 -0.13 1.38 -0.81 -0.31 0.00 0.00 175.10 175.51 1x9l n PRO 90 N -1.35 -0.18 -3.25 4.82 -0.04 -1.26 -4.53 135.00 129.21 1x9l n PRO 90 Ca -0.01 1.37 0.00 0.00 -0.04 0.00 0.00 63.50 64.82 1x9l n PRO 90 Cb 0.61 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1x9l n PRO 90 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1x9l n TRP 91 N -5.34 0.00 -3.90 0.54 2.14 -1.26 -4.88 117.44 104.74 1x9l n TRP 91 Ca 0.10 0.00 -0.34 0.00 2.07 0.00 0.00 57.50 59.33 1x9l n TRP 91 Cb 0.38 0.00 -0.13 0.00 -0.81 0.00 0.00 31.31 30.74 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 4.75 -0.17 5.67 2.34 -1.26 -4.91 118.68 125.11 1x9l s LEU 92 Ca 0.00 -1.91 -0.29 0.00 0.06 0.00 0.00 54.13 51.99 1x9l s LEU 92 Cb 0.00 -1.73 -0.01 0.00 -0.56 0.00 0.00 46.19 43.89 1x9l s LEU 92 CO 0.00 -0.42 1.18 -0.89 -1.06 0.00 0.00 176.35 175.16 1x9l s THR 93 N 1.08 4.41 -0.34 5.48 2.01 -1.26 -4.16 115.64 122.86 1x9l s THR 93 Ca 0.06 1.71 -0.19 0.00 0.31 0.00 0.00 61.69 63.58 1x9l s THR 93 Cb -0.21 -4.10 -0.00 0.00 0.01 0.00 0.00 72.50 68.20 1x9l s THR 93 CO -0.05 -0.13 0.56 0.27 -0.69 0.00 0.00 174.62 174.58 1x9l s ILE 94 N 3.20 4.98 -1.45 1.82 -4.36 -1.26 -4.93 121.20 119.20 1x9l s ILE 94 Ca 0.52 0.49 -0.09 0.00 -0.26 0.00 0.00 60.65 61.30 1x9l s ILE 94 Cb -0.20 -3.99 -0.08 0.00 1.25 0.00 0.00 42.46 39.43 1x9l s ILE 94 CO 0.13 -0.22 2.97 -0.81 0.24 0.00 0.00 174.94 177.25 1x9l n PRO 95 N 5.83 3.64 -0.74 0.37 -0.04 -1.26 -2.72 135.00 140.08 1x9l n PRO 95 Ca -0.03 -2.22 0.10 0.00 -0.04 0.00 0.00 63.50 61.31 1x9l n PRO 95 Cb 0.49 -2.71 -0.03 0.00 -0.04 0.00 0.00 33.50 31.21 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 3.29 -1.90 -0.28 0.55 0.00 -1.20 -4.74 120.51 116.23 1x9l n ALA 96 Ca 0.74 0.23 0.00 0.00 0.00 0.00 0.00 53.44 54.41 1x9l n ALA 96 Cb 0.29 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 -2.96 0.00 -1.89 0.00 5.12 -0.27 -4.84 116.66 111.82 1x9l n ARG 97 Ca 0.01 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.60 1x9l n ARG 97 Cb 0.34 -3.41 -0.06 0.00 -1.16 0.00 0.00 32.46 28.17 1x9l n ARG 97 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x9l n GLY 98 N -1.25 1.47 2.26 -0.13 0.00 -1.26 -4.76 105.19 101.53 1x9l n GLY 98 Ca 0.00 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 1x9l n GLY 98 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1x9l n THR 99 N 7.30 4.01 -2.82 2.61 5.66 -1.25 -2.88 114.28 126.91 1x9l n THR 99 Ca 0.46 -2.57 -0.18 0.00 -3.05 0.00 0.00 64.05 58.72 1x9l n THR 99 Cb 0.45 -2.28 0.08 0.00 -1.55 0.00 0.00 70.33 67.03 1x9l n THR 99 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x9l n LEU 100 N 2.77 0.00 -4.04 1.09 -0.00 -0.70 -4.89 117.00 111.23 1x9l n LEU 100 Ca 0.64 -1.96 -0.26 0.00 -0.00 0.00 0.00 56.01 54.43 1x9l n LEU 100 Cb 0.46 -0.44 -0.17 0.00 -0.00 0.00 0.00 43.42 43.27 1x9l n LEU 100 CO 0.58 -0.78 -0.48 0.28 -0.00 0.00 0.00 177.39 176.99 1x9l s THR 101 N -2.27 1.24 -0.36 1.47 -1.32 -1.26 -0.88 115.64 112.26 1x9l s THR 101 Ca 0.53 -0.53 -0.17 0.00 -1.21 0.00 0.00 61.69 60.32 1x9l s THR 101 Cb -0.04 -1.13 -0.00 0.00 -1.51 0.00 0.00 72.50 69.82 1x9l s THR 101 CO 0.35 0.38 0.43 -0.76 -2.21 0.00 0.00 174.62 172.81 1x9l s LEU 102 N 0.71 4.46 0.14 9.08 1.02 -0.14 -4.48 118.68 129.47 1x9l s LEU 102 Ca -0.13 -0.22 -0.20 0.00 0.02 0.00 0.00 54.13 53.60 1x9l s LEU 102 Cb -0.16 -2.44 0.05 0.00 0.02 0.00 0.00 46.19 43.67 1x9l s LEU 102 CO 0.03 -0.43 0.51 0.00 0.02 0.00 0.00 176.35 176.48 1x9l s GLN 103 N 2.18 1.18 0.19 1.70 -2.07 0.41 -1.19 119.66 122.05 1x9l s GLN 103 Ca 0.14 -0.57 -0.21 0.00 -1.82 0.00 0.00 55.36 52.90 1x9l s GLN 103 Cb -0.16 0.53 0.12 0.00 -1.09 0.00 0.00 33.01 32.41 1x9l s GLN 103 CO 0.13 -0.49 1.58 -0.09 -1.32 0.00 0.00 175.29 175.09 1x9l h ARG 104 N 2.19 -0.15 0.47 9.60 2.43 -1.84 -3.19 114.38 123.89 1x9l h ARG 104 Ca -0.34 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 1x9l h ARG 104 Cb 1.28 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 1x9l h ARG 104 CO 0.42 -0.10 -0.34 0.22 -1.51 0.00 0.00 179.97 178.66 1x9l h ASP 105 N -0.15 -0.88 -3.25 -3.80 3.58 -1.98 -3.47 116.42 106.46 1x9l h ASP 105 Ca 0.24 0.06 0.03 0.00 0.42 0.00 0.00 57.03 57.78 1x9l h ASP 105 Cb 0.56 0.27 -0.24 0.00 1.72 0.00 0.00 39.33 41.64 1x9l h ASP 105 CO -0.72 -0.49 0.25 -0.83 -2.88 0.00 0.00 179.24 174.57 1x9l s GLY 106 N -1.72 -0.34 0.10 -0.78 0.00 -1.20 -4.80 107.32 98.58 1x9l s GLY 106 Ca -0.13 2.53 0.00 0.00 0.00 0.00 0.00 44.72 47.13 1x9l s GLY 106 CO 0.40 2.09 0.00 1.22 0.00 0.00 0.00 173.10 176.81 1x9l n ASP 107 N 3.11 -5.36 0.00 1.64 8.00 -0.06 -4.37 116.55 119.52 1x9l n ASP 107 Ca -0.16 0.66 0.00 0.00 0.71 0.00 0.00 54.79 56.01 1x9l n ASP 107 Cb 0.57 -2.96 0.00 0.00 -0.02 0.00 0.00 41.12 38.70 1x9l n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x9l n HIS 108 N 0.92 0.00 -3.65 1.24 1.44 -0.97 -0.45 115.22 113.76 1x9l n HIS 108 Ca 0.00 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.34 1x9l n HIS 108 Cb 0.00 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.01 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 5.31 -0.67 0.61 1.01 -1.26 -0.36 120.40 123.04 1x9l s VAL 109 Ca 0.00 0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.89 1x9l s VAL 109 Cb 0.00 -3.49 0.04 0.00 0.00 0.00 0.00 36.38 32.93 1x9l s VAL 109 CO 0.00 0.32 1.15 -0.04 0.00 0.00 0.00 175.10 176.53 1x9l s MET 110 N 1.24 3.23 -1.37 2.72 -1.94 0.82 -1.88 119.30 122.12 1x9l s MET 110 Ca 0.07 -0.32 -0.15 0.00 -1.71 0.00 0.00 55.69 53.58 1x9l s MET 110 Cb -0.14 -4.15 0.07 0.00 2.01 0.00 0.00 34.83 32.62 1x9l s MET 110 CO 0.06 -1.92 1.97 1.28 -0.01 0.00 0.00 175.02 176.41 1x9l n LEU 111 N 8.58 6.04 -4.84 -0.03 4.77 0.19 -0.41 117.00 131.31 1x9l n LEU 111 Ca 0.02 -4.12 -0.33 0.00 -0.03 0.00 0.00 56.01 51.55 1x9l n LEU 111 Cb 0.48 -1.68 -0.06 0.00 -2.33 0.00 0.00 43.42 39.83 1x9l n LEU 111 CO 0.68 0.76 0.47 -0.32 -1.33 0.00 0.00 177.39 177.65 1x9l s MET 112 N 3.24 4.07 0.00 3.23 1.75 0.09 -3.44 119.30 128.24 1x9l s MET 112 Ca 0.49 0.78 0.00 0.00 -1.25 0.00 0.00 55.69 55.71 1x9l s MET 112 Cb 0.09 -2.42 0.00 0.00 2.84 0.00 0.00 34.83 35.34 1x9l s MET 112 CO -0.01 0.14 0.00 0.41 -0.65 0.00 0.00 175.02 174.91 1x9l n GLY 113 N -0.32 0.26 2.66 2.11 0.00 -0.58 -0.23 105.19 109.10 1x9l n GLY 113 Ca 0.04 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.61 -0.38 -0.02 0.99 0.00 -0.29 0.05 117.00 116.74 1x9l n LEU 114 Ca 0.00 0.88 -0.02 0.00 0.00 0.00 0.00 56.01 56.87 1x9l n LEU 114 Cb 0.29 -0.72 -0.01 0.00 0.00 0.00 0.00 43.42 42.98 1x9l n LEU 114 CO 0.00 -1.80 -0.17 0.29 0.00 0.00 0.00 177.39 175.72 1x9l n LYS 115 N 1.00 0.13 0.13 1.96 4.01 -0.42 -4.78 118.16 120.19 1x9l n LYS 115 Ca 0.15 0.06 0.00 0.00 -0.51 0.00 0.00 58.31 58.00 1x9l n LYS 115 Cb 0.11 -0.73 0.00 0.00 -0.51 0.00 0.00 35.03 33.90 1x9l n LYS 115 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1x9l n ARG 116 N -2.98 0.00 -2.12 1.97 1.74 -1.26 -5.06 116.66 108.95 1x9l n ARG 116 Ca -0.03 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.63 1x9l n ARG 116 Cb 0.13 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.56 1x9l n ARG 116 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1x9l n PRO 117 N -3.21 2.81 -2.59 5.56 -0.04 -1.26 -4.58 135.00 131.68 1x9l n PRO 117 Ca 0.00 -2.86 -0.14 0.00 -0.04 0.00 0.00 63.50 60.46 1x9l n PRO 117 Cb 0.00 -3.40 0.02 0.00 -0.04 0.00 0.00 33.50 30.08 1x9l n PRO 117 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1x9l n LEU 118 N 8.04 2.58 -4.75 1.53 -0.00 -1.26 -4.89 117.00 118.25 1x9l n LEU 118 Ca 0.50 -4.12 -0.37 0.00 -0.00 0.00 0.00 56.01 52.01 1x9l n LEU 118 Cb 0.43 0.14 0.03 0.00 -0.00 0.00 0.00 43.42 44.02 1x9l n LEU 118 CO 0.83 1.73 0.90 -0.75 -0.00 0.00 0.00 177.39 180.09 1x9l s LYS 119 N -3.34 3.09 -0.31 1.47 2.20 -1.26 -4.74 119.74 116.85 1x9l s LYS 119 Ca 0.34 1.99 -0.28 0.00 -0.36 0.00 0.00 55.97 57.67 1x9l s LYS 119 Cb 0.42 -2.10 -0.04 0.00 -1.51 0.00 0.00 37.83 34.60 1x9l s LYS 119 CO -0.03 -1.15 2.08 0.54 -0.36 0.00 0.00 175.35 176.43 1x9l s VAL 120 N -1.46 3.18 0.00 4.02 0.11 -1.26 -1.15 120.40 123.84 1x9l s VAL 120 Ca 0.74 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.97 1x9l s VAL 120 Cb -0.35 -3.27 0.00 0.00 -1.53 0.00 0.00 36.38 31.24 1x9l s VAL 120 CO 0.39 -0.19 0.00 0.61 -3.33 0.00 0.00 175.10 172.58 1x9l n GLY 121 N 5.68 0.72 3.89 6.54 0.00 0.96 -4.96 105.19 118.02 1x9l n GLY 121 Ca 0.28 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.14 0.64 -3.68 1.61 4.07 -0.30 -4.96 120.64 116.88 1x9l n GLU 122 Ca 0.00 -3.33 -0.11 0.00 -0.06 0.00 0.00 57.16 53.66 1x9l n GLU 122 Cb 0.44 0.09 -0.09 0.00 -0.06 0.00 0.00 31.44 31.83 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 -2.71 -0.01 -0.02 6.31 2.01 -1.26 -1.00 115.64 118.97 1x9l s THR 123 Ca 0.45 0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.50 1x9l s THR 123 Cb -0.04 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.68 1x9l s THR 123 CO 0.29 0.01 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.44 1x9l s VAL 124 N 0.92 0.81 -0.35 3.82 1.01 0.16 -4.97 120.40 121.80 1x9l s VAL 124 Ca -0.05 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 1x9l s VAL 124 Cb -0.05 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.63 1x9l s VAL 124 CO -0.08 0.25 1.13 0.20 0.00 0.00 0.00 175.10 176.60 1x9l s ASN 125 N 0.10 6.82 0.97 3.32 -0.87 -1.26 -0.55 114.94 123.46 1x9l s ASN 125 Ca -0.02 0.95 -0.13 0.00 -1.57 0.00 0.00 52.86 52.09 1x9l s ASN 125 Cb -0.08 -2.54 0.19 0.00 -0.02 0.00 0.00 41.25 38.80 1x9l s ASN 125 CO 0.00 -1.00 1.13 2.30 -2.57 0.00 0.00 177.10 176.96 1x9l n ILE 126 N 6.15 0.00 -3.69 0.60 -5.35 0.10 -4.72 119.36 112.45 1x9l n ILE 126 Ca 0.13 -0.90 -0.20 0.00 -0.27 0.00 0.00 62.75 61.50 1x9l n ILE 126 Cb 0.47 -1.52 -0.18 0.00 -1.74 0.00 0.00 39.64 36.68 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 -3.44 -0.01 0.79 7.28 2.01 0.86 -1.76 115.64 121.37 1x9l s THR 127 Ca 0.65 0.37 -0.09 0.00 0.31 0.00 0.00 61.69 62.92 1x9l s THR 127 Cb -0.02 -0.22 0.10 0.00 0.01 0.00 0.00 72.50 72.37 1x9l s THR 127 CO 0.45 0.19 1.12 -1.48 -0.69 0.00 0.00 174.62 174.21 1x9l s LEU 128 N 2.11 2.74 -0.29 4.42 0.05 -0.13 -0.54 118.68 127.04 1x9l s LEU 128 Ca 0.05 0.40 0.02 0.00 0.05 0.00 0.00 54.13 54.65 1x9l s LEU 128 Cb -0.12 -2.84 0.18 0.00 -2.05 0.00 0.00 46.19 41.36 1x9l s LEU 128 CO -0.03 -1.95 0.52 -0.54 -0.55 0.00 0.00 176.35 173.79 1x9l s LYS 129 N -5.46 0.49 -0.23 1.48 1.02 -1.20 -3.93 119.74 111.93 1x9l s LYS 129 Ca 0.64 0.53 -0.25 0.00 0.02 0.00 0.00 55.97 56.91 1x9l s LYS 129 Cb -0.09 0.07 -0.01 0.00 -0.52 0.00 0.00 37.83 37.29 1x9l s LYS 129 CO 0.47 -0.90 0.85 0.00 -0.92 0.00 0.00 175.35 174.85 1x9l s ALA 130 N 2.72 3.63 0.44 5.17 0.00 0.54 -0.66 121.76 133.60 1x9l s ALA 130 Ca 0.13 -0.08 0.24 0.00 0.00 0.00 0.00 51.96 52.25 1x9l s ALA 130 Cb -0.12 -3.30 1.25 0.00 0.00 0.00 0.00 23.12 20.95 1x9l s ALA 130 CO -0.25 -0.88 1.77 0.00 0.00 0.00 0.00 175.76 176.40 1x9l h THR 131 N 5.39 0.47 -0.81 0.00 1.03 -1.87 0.52 112.91 117.63 1x9l h THR 131 Ca -0.24 -0.09 0.18 0.00 -0.01 0.00 0.00 66.41 66.26 1x9l h THR 131 Cb 1.10 0.19 -0.05 0.00 -1.07 0.00 0.00 68.15 68.31 1x9l h THR 131 CO 0.88 0.05 0.55 0.44 -0.01 0.00 0.00 175.52 177.42 1x9l h ASP 132 N 0.26 0.33 0.00 0.00 5.19 -1.92 -3.44 116.42 116.83 1x9l h ASP 132 Ca 0.60 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 57.03 1x9l h ASP 132 Cb 1.79 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 41.26 1x9l h ASP 132 CO -0.22 0.15 0.00 0.61 -3.12 0.00 0.00 179.24 176.66 1x9l n GLY 133 N -1.55 0.26 2.88 2.75 0.00 0.11 -5.16 105.19 104.47 1x9l n GLY 133 Ca 0.16 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 0.04 -0.44 1.61 3.52 -0.79 -5.00 118.95 117.89 1x9l s ARG 134 Ca 0.00 0.20 0.07 0.00 -0.13 0.00 0.00 55.73 55.88 1x9l s ARG 134 Cb 0.00 -0.12 0.33 0.00 -1.56 0.00 0.00 34.95 33.59 1x9l s ARG 134 CO 0.00 -0.11 1.05 -2.37 -0.81 0.00 0.00 175.30 173.06 1x9l n THR 135 N 3.77 -0.02 -2.98 4.11 5.66 -1.26 -0.34 114.28 123.22 1x9l n THR 135 Ca -0.22 -2.10 -0.33 0.00 -3.05 0.00 0.00 64.05 58.35 1x9l n THR 135 Cb 0.54 1.14 -0.06 0.00 -1.55 0.00 0.00 70.33 70.40 1x9l n THR 135 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1x9l s LEU 136 N -2.34 4.07 -1.16 1.09 1.02 -1.25 -4.78 118.68 115.33 1x9l s LEU 136 Ca 0.25 1.50 -0.05 0.00 0.02 0.00 0.00 54.13 55.86 1x9l s LEU 136 Cb 0.31 -4.21 0.25 0.00 0.02 0.00 0.00 46.19 42.55 1x9l s LEU 136 CO -0.06 -0.23 1.82 -0.46 0.02 0.00 0.00 176.35 177.44 1x9l n ASN 137 N -0.29 6.65 -4.80 2.29 6.94 -1.26 -0.96 115.26 123.84 1x9l n ASN 137 Ca 0.04 -3.37 -0.35 0.00 -0.02 0.00 0.00 54.58 50.88 1x9l n ASN 137 Cb 0.53 -1.31 -0.06 0.00 -2.36 0.00 0.00 39.78 36.58 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 -2.19 4.15 -0.02 3.53 1.01 -0.72 -4.57 120.40 121.60 1x9l s VAL 138 Ca 0.39 1.57 -0.27 0.00 0.00 0.00 0.00 61.98 63.67 1x9l s VAL 138 Cb 0.12 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1x9l s VAL 138 CO -0.01 -0.07 0.86 0.00 0.00 0.00 0.00 175.10 175.89 1x9l s ALA 139 N -1.84 3.24 -0.22 5.51 0.00 -1.26 0.01 121.76 127.20 1x9l s ALA 139 Ca 0.57 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.92 1x9l s ALA 139 Cb -0.16 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 19.83 1x9l s ALA 139 CO 0.21 -0.15 -0.15 0.00 0.00 0.00 0.00 175.76 175.66 1x9l s ALA 140 N 0.81 2.47 0.01 0.00 0.00 0.29 -0.87 121.76 124.47 1x9l s ALA 140 Ca 0.46 -1.49 -0.25 0.00 0.00 0.00 0.00 51.96 50.67 1x9l s ALA 140 Cb -0.20 -1.41 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 1x9l s ALA 140 CO 0.24 -0.77 0.78 0.99 0.00 0.00 0.00 175.76 177.00 1x9l s THR 141 N 1.21 4.82 -0.27 0.00 2.01 -1.01 -0.66 115.64 121.74 1x9l s THR 141 Ca -0.02 1.66 -0.10 0.00 0.31 0.00 0.00 61.69 63.54 1x9l s THR 141 Cb -0.16 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 1x9l s THR 141 CO -0.09 0.30 0.14 -0.69 -0.69 0.00 0.00 174.62 173.60 1x9l s VAL 142 N 0.32 4.93 -0.36 3.82 1.01 -0.17 -0.62 120.40 129.33 1x9l s VAL 142 Ca 0.40 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.49 1x9l s VAL 142 Cb -0.20 -3.33 0.19 0.00 0.00 0.00 0.00 36.38 33.04 1x9l s VAL 142 CO 0.23 0.29 0.61 -1.59 0.00 0.00 0.00 175.10 174.63 1x9l s LYS 143 N 1.68 0.71 0.21 2.72 -2.85 0.21 -0.03 119.74 122.38 1x9l s LYS 143 Ca 0.07 0.06 -0.07 0.00 -1.00 0.00 0.00 55.97 55.02 1x9l s LYS 143 Cb -0.16 0.14 0.15 0.00 -2.06 0.00 0.00 37.83 35.90 1x9l s LYS 143 CO 0.08 -1.13 1.68 1.57 0.10 0.00 0.00 175.35 177.64 1x9l h LYS 144 N 7.41 0.99 -3.24 1.78 2.10 -1.77 -3.35 116.57 120.50 1x9l h LYS 144 Ca 0.02 -0.30 -0.59 0.00 -2.00 0.00 0.00 60.65 57.78 1x9l h LYS 144 Cb 1.18 -0.10 0.02 0.00 -0.90 0.00 0.00 32.23 32.44 1x9l h LYS 144 CO 0.12 0.98 3.41 0.09 -2.00 0.00 0.00 179.45 182.05 1x9l n ASN 145 N -4.18 7.15 0.07 7.07 4.13 -1.26 -2.60 115.26 125.64 1x9l n ASN 145 Ca 0.03 -2.52 0.00 0.00 1.68 0.00 0.00 54.58 53.77 1x9l n ASN 145 Cb 0.34 -1.42 0.00 0.00 -1.54 0.00 0.00 39.78 37.16 1x9l n ASN 145 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1x9l n ILE 146 N 3.94 0.00 0.16 2.41 2.08 -1.26 -4.92 119.36 121.77 1x9l n ILE 146 Ca 0.66 0.00 -0.16 0.00 0.56 0.00 0.00 62.75 63.81 1x9l n ILE 146 Cb 0.22 -0.39 -0.09 0.00 -0.75 0.00 0.00 39.64 38.62 1x9l n ILE 146 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1x9l h GLU 147 N 0.00 -0.76 -1.74 0.38 4.81 -1.75 -3.47 114.58 112.06 1x9l h GLU 147 Ca 0.00 0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 1x9l h GLU 147 Cb 0.00 0.17 0.02 0.00 0.63 0.00 0.00 28.75 29.57 1x9l h GLU 147 CO 0.00 -0.51 -0.21 0.41 -0.73 0.00 0.00 179.01 177.97 1x9l n GLY 148 N -1.50 0.22 0.00 1.92 0.00 -1.25 -5.22 105.19 99.37 1x9l n GLY 148 Ca -0.09 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1x9l n GLY 148 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19