#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 1.54 3.81 3.03 0.00 -1.26 -5.20 105.19 107.11 1x9l n GLY 2 Ca 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.00 -0.05 -0.11 1.61 5.65 -1.26 -5.20 115.29 113.94 1x9l s HIS 3 Ca 0.00 -0.34 -0.31 0.00 0.25 0.00 0.00 55.06 54.65 1x9l s HIS 3 Cb 0.00 0.69 0.12 0.00 -1.18 0.00 0.00 32.58 32.21 1x9l s HIS 3 CO 0.00 -0.97 1.05 -0.08 -0.65 0.00 0.00 174.74 174.09 1x9l s THR 4 N -2.89 0.00 -0.40 0.89 -1.32 -1.26 -5.12 115.64 105.54 1x9l s THR 4 Ca 0.15 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.70 1x9l s THR 4 Cb -0.02 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.18 1x9l s THR 4 CO 0.05 0.00 0.45 0.23 -2.21 0.00 0.00 174.62 173.14 1x9l n MET 5 N -0.00 0.54 -1.66 7.08 0.00 -1.26 -5.14 117.12 116.68 1x9l n MET 5 Ca -0.05 -3.23 -0.33 0.00 0.00 0.00 0.00 57.70 54.09 1x9l n MET 5 Cb 0.60 -1.41 0.06 0.00 0.00 0.00 0.00 33.22 32.47 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 -0.73 2.63 0.26 0.03 0.04 -1.26 -5.06 135.00 130.92 1x9l s PRO 6 Ca 0.34 1.44 -0.20 0.00 0.04 0.00 0.00 61.00 62.63 1x9l s PRO 6 Cb 0.12 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.76 1x9l s PRO 6 CO -0.14 -1.39 0.68 0.00 0.04 0.00 0.00 177.00 176.18 1x9l s ALA 7 N -2.31 -1.13 0.39 8.56 0.00 -1.26 -5.19 121.76 120.82 1x9l s ALA 7 Ca 0.68 -0.31 -0.15 0.00 0.00 0.00 0.00 51.96 52.18 1x9l s ALA 7 Cb -0.22 0.88 0.06 0.00 0.00 0.00 0.00 23.12 23.84 1x9l s ALA 7 CO 0.43 -0.99 0.79 1.58 0.00 0.00 0.00 175.76 177.57 1x9l n HIS 8 N -0.44 -2.36 -3.23 0.00 -0.00 -1.26 -5.14 115.22 102.78 1x9l n HIS 8 Ca -0.05 -1.84 -0.02 0.00 0.46 0.00 0.00 57.72 56.27 1x9l n HIS 8 Cb 0.60 0.92 -0.02 0.00 -0.12 0.00 0.00 29.99 31.37 1x9l n HIS 8 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 1x9l s THR 9 N -2.11 -0.87 0.26 3.57 -1.32 -1.26 -5.15 115.64 108.76 1x9l s THR 9 Ca 0.16 -0.18 -0.29 0.00 -1.21 0.00 0.00 61.69 60.16 1x9l s THR 9 Cb -0.05 -0.25 -0.09 0.00 -1.51 0.00 0.00 72.50 70.60 1x9l s THR 9 CO 0.12 -0.11 1.17 -2.16 -2.21 0.00 0.00 174.62 171.43 1x9l s PRO 10 N 1.90 4.54 0.35 7.08 0.04 -1.26 -4.99 135.00 142.66 1x9l s PRO 10 Ca 0.15 1.90 -0.27 0.00 0.04 0.00 0.00 61.00 62.83 1x9l s PRO 10 Cb -0.07 -3.18 -0.09 0.00 0.04 0.00 0.00 34.50 31.20 1x9l s PRO 10 CO -0.09 0.04 1.19 -1.25 0.04 0.00 0.00 177.00 176.93 1x9l s PRO 11 N -1.10 4.27 0.18 0.56 0.04 -1.26 -5.04 135.00 132.65 1x9l s PRO 11 Ca 0.48 1.93 -0.22 0.00 0.04 0.00 0.00 61.00 63.23 1x9l s PRO 11 Cb -0.34 -2.90 0.06 0.00 0.04 0.00 0.00 34.50 31.37 1x9l s PRO 11 CO 0.42 -0.16 0.61 0.00 0.04 0.00 0.00 177.00 177.90 1x9l s ALA 12 N -1.29 -1.49 0.18 8.56 0.00 -1.26 -5.10 121.76 121.37 1x9l s ALA 12 Ca 0.52 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1x9l s ALA 12 Cb -0.33 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.66 1x9l s ALA 12 CO 0.43 -0.81 0.00 0.94 0.00 0.00 0.00 175.76 176.32 1x9l n GLN 13 N -0.38 0.00 -3.85 0.00 7.27 -1.26 -5.08 117.38 114.07 1x9l n GLN 13 Ca -0.15 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 56.65 1x9l n GLN 13 Cb 0.64 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.29 1x9l n GLN 13 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1x9l n THR 14 N -2.82 -4.03 -3.66 1.69 -2.24 -1.26 -4.94 114.28 97.02 1x9l n THR 14 Ca 0.00 -0.65 -0.33 0.00 -2.27 0.00 0.00 64.05 60.81 1x9l n THR 14 Cb 0.00 -3.26 -0.08 0.00 -2.10 0.00 0.00 70.33 64.89 1x9l n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x9l n ALA 15 N -4.34 3.79 -1.32 6.98 0.00 -1.26 -5.09 120.51 119.27 1x9l n ALA 15 Ca -0.24 -4.61 -0.29 0.00 0.00 0.00 0.00 53.44 48.30 1x9l n ALA 15 Cb 0.65 -1.43 0.16 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.63 0.77 0.20 0.00 0.04 -1.26 -5.10 135.00 128.02 1x9l s PRO 16 Ca 0.29 0.44 -0.18 0.00 0.04 0.00 0.00 61.00 61.59 1x9l s PRO 16 Cb -0.03 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.76 1x9l s PRO 16 CO -0.11 -2.48 0.53 0.00 0.04 0.00 0.00 177.00 174.98 1x9l s ALA 17 N -3.09 -0.92 -0.13 8.56 0.00 -1.26 -5.18 121.76 119.74 1x9l s ALA 17 Ca 0.65 -0.26 -0.19 0.00 0.00 0.00 0.00 51.96 52.15 1x9l s ALA 17 Cb -0.17 0.87 0.05 0.00 0.00 0.00 0.00 23.12 23.87 1x9l s ALA 17 CO 0.56 -0.82 0.49 0.00 0.00 0.00 0.00 175.76 175.99 1x9l s ALA 18 N -3.88 -1.23 -0.46 0.00 0.00 -1.26 -5.09 121.76 109.83 1x9l s ALA 18 Ca 0.10 1.17 0.05 0.00 0.00 0.00 0.00 51.96 53.29 1x9l s ALA 18 Cb -0.01 -0.50 0.29 0.00 0.00 0.00 0.00 23.12 22.89 1x9l s ALA 18 CO -0.02 -0.26 1.05 0.00 0.00 0.00 0.00 175.76 176.53 1x9l n GLN 19 N 2.18 0.82 -3.67 0.00 10.64 -1.26 -5.14 117.38 120.94 1x9l n GLN 19 Ca -0.16 -1.70 -0.12 0.00 -1.83 0.00 0.00 57.00 53.19 1x9l n GLN 19 Cb 0.56 -1.11 -0.06 0.00 -0.86 0.00 0.00 30.24 28.78 1x9l n GLN 19 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1x9l s LYS 20 N 0.42 0.95 0.00 2.61 -2.85 -1.26 -5.16 119.74 114.44 1x9l s LYS 20 Ca 0.26 -0.51 0.00 0.00 -1.00 0.00 0.00 55.97 54.72 1x9l s LYS 20 Cb 0.26 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.45 1x9l s LYS 20 CO -0.14 -0.34 0.00 0.00 0.10 0.00 0.00 175.35 174.97 1x9l n ALA 21 N 0.26 0.00 -3.87 0.59 0.00 -1.26 -5.19 120.51 111.04 1x9l n ALA 21 Ca -0.18 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.36 1x9l n ALA 21 Cb 0.61 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.08 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 5.00 0.56 3.83 0.00 0.00 -1.26 -5.20 105.19 108.12 1x9l n GLY 22 Ca 0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 46.02 44.83 1x9l n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x9l s ALA 23 N -1.98 -1.13 0.51 4.61 0.00 -1.26 -5.15 121.76 117.35 1x9l s ALA 23 Ca 0.23 -0.36 -0.22 0.00 0.00 0.00 0.00 51.96 51.61 1x9l s ALA 23 Cb -0.02 0.87 -0.06 0.00 0.00 0.00 0.00 23.12 23.91 1x9l s ALA 23 CO 0.04 -1.02 1.30 -0.65 0.00 0.00 0.00 175.76 175.44 1x9l s GLN 24 N -3.93 3.39 0.34 0.00 -0.21 -1.26 -5.02 119.66 112.97 1x9l s GLN 24 Ca 0.12 2.11 -0.15 0.00 0.02 0.00 0.00 55.36 57.45 1x9l s GLN 24 Cb -0.05 -2.35 0.06 0.00 1.00 0.00 0.00 33.01 31.67 1x9l s GLN 24 CO 0.07 -0.95 0.80 0.00 -2.12 0.00 0.00 175.29 173.09 1x9l n ALA 25 N -0.77 -1.86 -0.90 6.09 0.00 -1.26 -5.16 120.51 116.65 1x9l n ALA 25 Ca 0.09 -1.17 -0.31 0.00 0.00 0.00 0.00 53.44 52.05 1x9l n ALA 25 Cb 0.46 0.88 0.14 0.00 0.00 0.00 0.00 19.45 20.93 1x9l n ALA 25 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1x9l s LEU 26 N 0.00 2.92 0.00 0.00 -0.00 -1.26 -4.94 118.68 115.40 1x9l s LEU 26 Ca 0.16 2.08 0.00 0.00 -0.00 0.00 0.00 54.13 56.38 1x9l s LEU 26 Cb -0.04 -4.55 0.00 0.00 -0.00 0.00 0.00 46.19 41.59 1x9l s LEU 26 CO 0.10 -2.74 0.00 -0.81 -0.00 0.00 0.00 176.35 172.90 1x9l n PRO 27 N -3.96 0.00 -2.96 1.48 -0.04 -1.26 -4.11 135.00 124.15 1x9l n PRO 27 Ca 0.11 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.43 1x9l n PRO 27 Cb 0.52 -0.02 0.01 0.00 -0.04 0.00 0.00 33.50 33.97 1x9l n PRO 27 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1x9l n VAL 28 N 0.00 0.20 -3.21 0.52 0.31 -1.26 -1.44 118.33 113.44 1x9l n VAL 28 Ca 0.00 -3.66 -0.01 0.00 -0.01 0.00 0.00 64.34 60.66 1x9l n VAL 28 Cb 0.00 0.26 -0.02 0.00 -0.91 0.00 0.00 33.84 33.17 1x9l n VAL 28 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1x9l s THR 29 N -2.22 -0.91 -0.42 2.52 -1.32 -1.25 -4.35 115.64 107.70 1x9l s THR 29 Ca 0.33 -0.12 0.09 0.00 -1.21 0.00 0.00 61.69 60.78 1x9l s THR 29 Cb 0.38 -0.45 0.35 0.00 -1.51 0.00 0.00 72.50 71.27 1x9l s THR 29 CO -0.04 -0.08 1.04 0.55 -2.21 0.00 0.00 174.62 173.88 1x9l n VAL 30 N 4.78 0.03 -3.99 5.08 3.14 -1.26 -5.00 118.33 121.11 1x9l n VAL 30 Ca 0.08 -2.42 -0.12 0.00 -2.96 0.00 0.00 64.34 58.93 1x9l n VAL 30 Cb 0.54 0.91 -0.13 0.00 -1.06 0.00 0.00 33.84 34.10 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 -0.70 0.28 0.15 1.45 2.00 -1.26 -4.85 119.66 116.73 1x9l s GLN 31 Ca 0.27 -0.38 -0.31 0.00 -2.00 0.00 0.00 55.36 52.94 1x9l s GLN 31 Cb 0.34 -0.09 -0.08 0.00 0.80 0.00 0.00 33.01 33.97 1x9l s GLN 31 CO -0.06 0.01 1.33 0.20 -0.50 0.00 0.00 175.29 176.28 1x9l s GLY 32 N -0.81 2.25 0.48 2.59 0.00 -1.26 -4.88 107.32 105.69 1x9l s GLY 32 Ca -0.07 1.08 -0.21 0.00 0.00 0.00 0.00 44.72 45.53 1x9l s GLY 32 CO -0.00 2.18 1.06 0.00 0.00 0.00 0.00 173.10 176.34 1x9l s ALA 33 N 0.63 2.88 0.03 3.20 0.00 -1.13 -4.80 121.76 122.56 1x9l s ALA 33 Ca 0.60 0.68 0.02 0.00 0.00 0.00 0.00 51.96 53.26 1x9l s ALA 33 Cb -0.36 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 1x9l s ALA 33 CO 0.34 -0.40 -0.06 0.95 0.00 0.00 0.00 175.76 176.59 1x9l s THR 34 N -1.87 0.42 -0.01 0.00 -4.23 -1.19 -0.96 115.64 107.80 1x9l s THR 34 Ca 0.67 -0.89 0.03 0.00 -1.18 0.00 0.00 61.69 60.32 1x9l s THR 34 Cb -0.19 -0.48 -0.01 0.00 1.34 0.00 0.00 72.50 73.16 1x9l s THR 34 CO 0.23 -0.32 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.18 1x9l s VAL 35 N -1.17 0.93 -0.04 2.29 1.01 0.19 -0.52 120.40 123.10 1x9l s VAL 35 Ca -0.09 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1x9l s VAL 35 Cb -0.09 -0.79 -0.12 0.00 0.00 0.00 0.00 36.38 35.38 1x9l s VAL 35 CO 0.00 0.27 2.87 0.00 0.00 0.00 0.00 175.10 178.24 1x9l n ALA 36 N 2.88 5.40 -0.05 5.51 0.00 -1.04 -0.52 120.51 132.68 1x9l n ALA 36 Ca -0.15 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.12 1x9l n ALA 36 Cb 0.56 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 1.92 0.00 -2.33 0.00 0.00 -1.26 -2.30 120.51 116.54 1x9l n ALA 37 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.39 1x9l n ALA 37 Cb 0.72 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.02 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 2.16 0.80 0.00 -7.23 -1.26 -4.64 120.40 110.22 1x9l s VAL 38 Ca 0.00 -1.13 -0.13 0.00 -1.81 0.00 0.00 61.98 58.90 1x9l s VAL 38 Cb 0.00 -1.77 0.08 0.00 0.56 0.00 0.00 36.38 35.25 1x9l s VAL 38 CO 0.00 0.54 1.21 -2.84 -0.31 0.00 0.00 175.10 173.69 1x9l s PRO 39 N -0.75 1.70 -1.26 4.82 0.02 -0.97 -4.88 135.00 133.67 1x9l s PRO 39 Ca 0.11 1.76 -0.09 0.00 0.02 0.00 0.00 61.00 62.80 1x9l s PRO 39 Cb -0.10 -1.78 -0.07 0.00 0.02 0.00 0.00 34.50 32.57 1x9l s PRO 39 CO -0.00 -2.17 2.48 -0.35 -0.33 0.00 0.00 177.00 176.63 1x9l n PRO 40 N -3.22 2.82 -2.74 5.54 -0.04 -1.26 -4.22 135.00 131.88 1x9l n PRO 40 Ca 0.14 -1.89 -0.07 0.00 -0.04 0.00 0.00 63.50 61.63 1x9l n PRO 40 Cb 0.50 -2.69 0.05 0.00 -0.04 0.00 0.00 33.50 31.32 1x9l n PRO 40 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x9l n SER 41 N 4.27 -2.72 0.00 3.54 2.88 -1.26 -4.85 113.62 115.48 1x9l n SER 41 Ca 0.60 -3.09 0.00 0.00 -1.33 0.00 0.00 58.87 55.06 1x9l n SER 41 Cb 0.21 1.69 0.00 0.00 -0.75 0.00 0.00 64.21 65.36 1x9l n SER 41 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1x9l n ILE 42 N 1.69 0.00 0.62 2.46 5.41 -1.26 -4.78 119.36 123.50 1x9l n ILE 42 Ca 0.08 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.83 1x9l n ILE 42 Cb 0.64 0.00 0.07 0.00 -0.71 0.00 0.00 39.64 39.63 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 -0.23 1.62 -3.18 0.38 1.85 -1.26 -4.64 116.66 111.20 1x9l n ARG 43 Ca 0.00 -0.60 -0.21 0.00 -1.00 0.00 0.00 57.85 56.04 1x9l n ARG 43 Cb 0.00 -1.54 0.06 0.00 -1.05 0.00 0.00 32.46 29.93 1x9l n ARG 43 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1x9l n ASP 44 N 0.14 2.27 -2.41 2.89 5.75 -1.26 -0.80 116.55 123.13 1x9l n ASP 44 Ca 0.07 -2.64 -0.07 0.00 -0.01 0.00 0.00 54.79 52.15 1x9l n ASP 44 Cb 0.51 -0.36 0.02 0.00 -1.03 0.00 0.00 41.12 40.26 1x9l n ASP 44 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1x9l n THR 45 N -2.20 0.00 -3.78 2.12 5.66 -0.13 -4.29 114.28 111.66 1x9l n THR 45 Ca 0.13 -0.74 -0.11 0.00 -3.05 0.00 0.00 64.05 60.28 1x9l n THR 45 Cb 0.62 0.75 -0.08 0.00 -1.55 0.00 0.00 70.33 70.07 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 -1.83 -0.61 0.30 1.79 0.00 -1.26 -0.16 121.76 119.99 1x9l s ALA 46 Ca 0.13 -0.05 -0.18 0.00 0.00 0.00 0.00 51.96 51.86 1x9l s ALA 46 Cb -0.04 0.30 -0.09 0.00 0.00 0.00 0.00 23.12 23.29 1x9l s ALA 46 CO 0.09 -0.39 0.76 0.00 0.00 0.00 0.00 175.76 176.22 1x9l s ALA 47 N -2.49 3.32 -0.31 0.00 0.00 -1.20 -2.49 121.76 118.59 1x9l s ALA 47 Ca -0.05 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.07 1x9l s ALA 47 Cb -0.01 -2.85 0.09 0.00 0.00 0.00 0.00 23.12 20.35 1x9l s ALA 47 CO -0.03 0.30 0.04 0.71 0.00 0.00 0.00 175.76 176.78 1x9l s TYR 48 N -1.82 2.92 0.24 0.00 1.51 0.33 -4.32 117.35 116.21 1x9l s TYR 48 Ca 0.51 -2.40 -0.11 0.00 -1.01 0.00 0.00 57.07 54.05 1x9l s TYR 48 Cb -0.13 -2.31 0.04 0.00 -0.11 0.00 0.00 41.96 39.45 1x9l s TYR 48 CO 0.19 -0.90 0.56 0.00 -1.11 0.00 0.00 175.55 174.29 1x9l n MET 49 N 4.50 0.72 -4.38 -0.62 0.00 -1.17 -3.16 117.12 113.01 1x9l n MET 49 Ca -0.01 -1.43 -0.22 0.00 0.00 0.00 0.00 57.70 56.05 1x9l n MET 49 Cb 0.42 1.80 -0.16 0.00 0.00 0.00 0.00 33.22 35.28 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 -2.36 0.81 -0.48 3.17 2.01 -1.26 -0.71 115.64 116.82 1x9l s THR 50 Ca 0.12 -0.32 -0.26 0.00 0.31 0.00 0.00 61.69 61.53 1x9l s THR 50 Cb -0.03 -0.76 0.03 0.00 0.01 0.00 0.00 72.50 71.75 1x9l s THR 50 CO 0.07 0.27 0.99 -0.76 -0.69 0.00 0.00 174.62 174.50 1x9l s LEU 51 N 0.58 3.91 -0.33 4.42 1.02 0.06 -4.17 118.68 124.17 1x9l s LEU 51 Ca -0.10 0.12 -0.07 0.00 0.02 0.00 0.00 54.13 54.10 1x9l s LEU 51 Cb -0.13 -3.21 0.03 0.00 0.02 0.00 0.00 46.19 42.90 1x9l s LEU 51 CO 0.01 -1.14 0.12 -0.89 0.02 0.00 0.00 176.35 174.47 1x9l s THR 52 N 4.00 3.99 0.15 5.49 2.01 -1.26 -1.88 115.64 128.14 1x9l s THR 52 Ca 0.39 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 1x9l s THR 52 Cb -0.10 -3.20 -0.07 0.00 0.01 0.00 0.00 72.50 69.14 1x9l s THR 52 CO 0.26 -0.12 0.96 0.21 -0.69 0.00 0.00 174.62 175.24 1x9l s ASN 53 N 1.46 7.54 -0.39 3.53 3.84 -1.00 -3.75 114.94 126.18 1x9l s ASN 53 Ca 0.00 1.84 0.11 0.00 0.21 0.00 0.00 52.86 55.02 1x9l s ASN 53 Cb -0.19 -2.59 0.35 0.00 -0.55 0.00 0.00 41.25 38.27 1x9l s ASN 53 CO 0.04 -0.00 0.85 0.29 -2.79 0.00 0.00 177.10 175.49 1x9l n LYS 54 N 2.42 1.00 0.00 0.43 5.02 -0.52 -4.94 118.16 121.58 1x9l n LYS 54 Ca 0.01 -3.01 0.00 0.00 -2.02 0.00 0.00 58.31 53.29 1x9l n LYS 54 Cb 0.49 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1x9l n LYS 54 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1x9l n SER 55 N 0.24 0.00 -2.73 4.39 7.64 -1.24 -4.34 113.62 117.59 1x9l n SER 55 Ca 0.19 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.95 1x9l n SER 55 Cb 0.69 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.95 1x9l n SER 55 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1x9l n ASP 56 N -0.26 -2.46 -3.97 6.43 2.03 -1.26 -5.02 116.55 112.04 1x9l n ASP 56 Ca 0.00 -0.45 -0.08 0.00 0.52 0.00 0.00 54.79 54.78 1x9l n ASP 56 Cb 0.00 -3.80 -0.09 0.00 -0.72 0.00 0.00 41.12 36.51 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 -4.84 0.68 -1.17 -0.67 -0.21 -1.26 -4.77 119.66 107.42 1x9l s GLN 57 Ca 0.04 -1.01 -0.21 0.00 0.02 0.00 0.00 55.36 54.20 1x9l s GLN 57 Cb -0.01 0.26 -0.01 0.00 1.00 0.00 0.00 33.01 34.26 1x9l s GLN 57 CO 0.52 -0.17 1.80 -1.25 -2.12 0.00 0.00 175.29 174.07 1x9l s PRO 58 N -3.54 3.18 0.06 2.91 0.04 -1.26 -1.42 135.00 134.97 1x9l s PRO 58 Ca 0.03 -1.35 -0.06 0.00 0.04 0.00 0.00 61.00 59.66 1x9l s PRO 58 Cb 0.04 -5.34 -0.05 0.00 0.04 0.00 0.00 34.50 29.19 1x9l s PRO 58 CO -0.09 -3.05 0.31 0.42 0.04 0.00 0.00 177.00 174.63 1x9l s ILE 59 N 7.66 5.25 -0.39 0.56 -1.09 -1.02 -4.90 121.20 127.26 1x9l s ILE 59 Ca 0.60 0.10 0.04 0.00 -2.23 0.00 0.00 60.65 59.16 1x9l s ILE 59 Cb 0.00 -3.60 0.16 0.00 -1.58 0.00 0.00 42.46 37.44 1x9l s ILE 59 CO 0.06 0.24 0.41 -1.59 -1.23 0.00 0.00 174.94 172.84 1x9l s LYS 60 N -2.12 0.73 -1.37 2.79 0.00 -1.26 -0.48 119.74 118.04 1x9l s LYS 60 Ca 0.33 -1.05 -0.14 0.00 0.00 0.00 0.00 55.97 55.10 1x9l s LYS 60 Cb -0.13 -0.73 0.08 0.00 0.00 0.00 0.00 37.83 37.05 1x9l s LYS 60 CO 0.20 -1.24 1.97 1.28 0.00 0.00 0.00 175.35 177.57 1x9l n LEU 61 N 3.90 6.16 -3.07 2.77 4.77 -1.26 -4.13 117.00 126.15 1x9l n LEU 61 Ca 0.15 -4.18 -0.34 0.00 -0.03 0.00 0.00 56.01 51.60 1x9l n LEU 61 Cb 0.47 -1.65 -0.05 0.00 -2.33 0.00 0.00 43.42 39.85 1x9l n LEU 61 CO 0.07 0.85 2.84 0.55 -1.33 0.00 0.00 177.39 180.38 1x9l n VAL 62 N 5.15 4.20 -3.51 4.08 3.14 -1.25 -4.78 118.33 125.36 1x9l n VAL 62 Ca 0.48 -2.70 -0.17 0.00 -2.96 0.00 0.00 64.34 58.99 1x9l n VAL 62 Cb 0.41 -2.37 -0.05 0.00 -1.06 0.00 0.00 33.84 30.77 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 1.75 -0.58 -0.47 7.55 0.00 -1.16 -4.67 107.32 109.75 1x9l s GLY 63 Ca 0.66 1.15 0.06 0.00 0.00 0.00 0.00 44.72 46.60 1x9l s GLY 63 CO -0.06 0.80 1.05 0.00 0.00 0.00 0.00 173.10 174.89 1x9l n ALA 64 N 0.68 -0.89 -2.33 3.20 0.00 -1.26 -4.49 120.51 115.42 1x9l n ALA 64 Ca -0.19 -1.49 -0.33 0.00 0.00 0.00 0.00 53.44 51.44 1x9l n ALA 64 Cb 0.58 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.78 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 0.33 3.50 -0.10 0.00 0.00 -0.54 -4.80 121.76 120.16 1x9l s ALA 65 Ca 0.25 -0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.75 1x9l s ALA 65 Cb 0.27 -2.54 0.09 0.00 0.00 0.00 0.00 23.12 20.94 1x9l s ALA 65 CO -0.10 0.45 0.81 -0.08 0.00 0.00 0.00 175.76 176.84 1x9l s THR 66 N -1.78 0.00 -2.00 0.00 -1.32 -1.26 0.05 115.64 109.33 1x9l s THR 66 Ca 0.47 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 61.07 1x9l s THR 66 Cb -0.12 -1.00 0.34 0.00 -1.51 0.00 0.00 72.50 70.22 1x9l s THR 66 CO 0.20 0.00 1.19 -0.81 -2.21 0.00 0.00 174.62 172.99 1x9l n PRO 67 N 0.89 0.59 -0.00 7.08 -0.04 -1.26 -3.37 135.00 138.88 1x9l n PRO 67 Ca -0.15 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.19 1x9l n PRO 67 Cb 0.57 -1.32 -0.06 0.00 -0.04 0.00 0.00 33.50 32.65 1x9l n PRO 67 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1x9l h LEU 68 N 0.00 0.10 -7.86 1.53 7.12 -1.90 -3.42 115.31 110.88 1x9l h LEU 68 Ca 0.00 -0.09 -0.11 0.00 0.13 0.00 0.00 57.88 57.81 1x9l h LEU 68 Cb 0.00 -0.03 -0.17 0.00 -0.53 0.00 0.00 40.66 39.94 1x9l h LEU 68 CO 0.00 0.16 -0.47 0.00 -0.13 0.00 0.00 178.44 178.00 1x9l s ALA 69 N -5.85 -0.14 -0.08 1.25 0.00 -1.22 -0.88 121.76 114.84 1x9l s ALA 69 Ca -0.13 -0.53 -0.08 0.00 0.00 0.00 0.00 51.96 51.21 1x9l s ALA 69 Cb 0.06 0.30 -0.28 0.00 0.00 0.00 0.00 23.12 23.20 1x9l s ALA 69 CO 0.68 -0.37 0.52 1.15 0.00 0.00 0.00 175.76 177.74 1x9l h THR 70 N 3.41 0.78 -3.29 0.00 2.02 -0.27 -3.42 112.91 112.14 1x9l h THR 70 Ca -0.33 -2.43 -0.66 0.00 0.77 0.00 0.00 66.41 63.76 1x9l h THR 70 Cb 1.19 2.63 -0.39 0.00 -1.74 0.00 0.00 68.15 69.83 1x9l h THR 70 CO 0.52 0.88 -0.43 -0.55 0.37 0.00 0.00 175.52 176.30 1x9l s SER 71 N -7.15 5.06 -0.29 4.18 0.15 0.85 -4.99 113.70 111.51 1x9l s SER 71 Ca -0.19 -3.46 -0.29 0.00 0.70 0.00 0.00 55.95 52.71 1x9l s SER 71 Cb 0.06 -1.74 0.01 0.00 -1.71 0.00 0.00 66.02 62.64 1x9l s SER 71 CO 0.81 -0.19 1.11 -2.16 1.20 0.00 0.00 173.24 174.01 1x9l s PRO 72 N -0.93 4.08 0.14 5.44 0.04 -1.26 -0.51 135.00 142.00 1x9l s PRO 72 Ca 0.22 1.17 0.10 0.00 0.04 0.00 0.00 61.00 62.54 1x9l s PRO 72 Cb -0.13 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 1x9l s PRO 72 CO -0.10 -0.88 -0.24 -1.64 0.04 0.00 0.00 177.00 174.18 1x9l s MET 73 N 3.65 1.34 -0.06 4.56 -1.94 0.06 -4.94 119.30 121.98 1x9l s MET 73 Ca 0.47 -1.33 -0.04 0.00 -1.71 0.00 0.00 55.69 53.07 1x9l s MET 73 Cb -0.14 -1.73 -0.04 0.00 2.01 0.00 0.00 34.83 34.94 1x9l s MET 73 CO 0.15 0.40 0.15 -0.51 -0.01 0.00 0.00 175.02 175.20 1x9l s LEU 74 N -2.16 4.33 0.15 -0.03 1.02 -1.24 -0.04 118.68 120.71 1x9l s LEU 74 Ca 0.13 0.38 0.02 0.00 0.02 0.00 0.00 54.13 54.68 1x9l s LEU 74 Cb -0.09 -2.34 -0.04 0.00 0.02 0.00 0.00 46.19 43.73 1x9l s LEU 74 CO 0.06 0.33 -0.03 -0.32 0.02 0.00 0.00 176.35 176.41 1x9l s MET 75 N -1.51 1.04 -0.23 1.70 1.75 -0.53 -1.16 119.30 120.36 1x9l s MET 75 Ca 0.21 -1.48 -0.16 0.00 -1.25 0.00 0.00 55.69 53.01 1x9l s MET 75 Cb -0.12 -0.30 0.07 0.00 2.84 0.00 0.00 34.83 37.31 1x9l s MET 75 CO 0.12 -0.08 0.58 -0.08 -0.65 0.00 0.00 175.02 174.91 1x9l s THR 76 N -3.60 -0.01 -0.35 10.11 -1.32 -1.26 -3.48 115.64 115.73 1x9l s THR 76 Ca 0.20 0.02 0.15 0.00 -1.21 0.00 0.00 61.69 60.85 1x9l s THR 76 Cb 0.05 -0.83 0.43 0.00 -1.51 0.00 0.00 72.50 70.65 1x9l s THR 76 CO 0.01 0.01 1.20 1.07 -2.21 0.00 0.00 174.62 174.70 1x9l n THR 77 N 3.68 0.53 -3.63 5.08 5.66 -1.26 -0.98 114.28 123.35 1x9l n THR 77 Ca -0.18 -2.20 -0.29 0.00 -3.05 0.00 0.00 64.05 58.32 1x9l n THR 77 Cb 0.57 0.91 -0.15 0.00 -1.55 0.00 0.00 70.33 70.11 1x9l n THR 77 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1x9l s THR 78 N -1.55 0.43 0.37 1.09 2.01 -1.23 -4.72 115.64 112.05 1x9l s THR 78 Ca 0.23 -1.16 0.17 0.00 0.31 0.00 0.00 61.69 61.24 1x9l s THR 78 Cb 0.42 -1.34 0.37 0.00 0.01 0.00 0.00 72.50 71.95 1x9l s THR 78 CO -0.04 -0.72 1.71 0.45 -0.69 0.00 0.00 174.62 175.33 1x9l h HIS 79 N 8.14 0.80 0.00 4.92 -0.00 -1.91 0.19 115.15 127.30 1x9l h HIS 79 Ca -0.15 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.25 1x9l h HIS 79 Cb 1.01 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.20 1x9l h HIS 79 CO 0.34 -0.04 0.00 0.45 -0.00 0.00 0.00 177.93 178.67 1x9l n SER 80 N -4.82 0.00 0.00 2.45 2.88 -1.26 -4.73 113.62 108.13 1x9l n SER 80 Ca 0.29 -0.83 0.00 0.00 -1.33 0.00 0.00 58.87 57.00 1x9l n SER 80 Cb 0.96 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.42 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 0.53 1.68 0.13 0.46 0.00 0.68 -5.02 105.19 103.65 1x9l n GLY 81 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.34 0.00 -0.02 0.00 -1.86 -3.49 103.07 97.36 1x9l h GLY 82 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1x9l h GLY 82 CO 0.00 -0.12 0.00 -0.13 0.00 0.00 0.00 176.54 176.29 1x9l n MET 83 N -3.05 0.00 -2.68 4.80 0.00 -1.26 -4.85 117.12 110.07 1x9l n MET 83 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.61 1x9l n MET 83 Cb 0.13 0.00 0.06 0.00 0.00 0.00 0.00 33.22 33.41 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 -1.22 -2.97 -5.12 0.00 -1.25 -2.79 120.51 104.16 1x9l n ALA 84 Ca 0.00 -0.80 0.03 0.00 0.00 0.00 0.00 53.44 52.67 1x9l n ALA 84 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 -0.61 -1.30 -0.65 0.00 0.00 -0.16 -4.92 107.32 99.68 1x9l s GLY 85 Ca 0.14 1.40 -0.26 0.00 0.00 0.00 0.00 44.72 46.00 1x9l s GLY 85 CO -0.07 4.13 2.32 -0.29 0.00 0.00 0.00 173.10 179.19 1x9l s MET 86 N 2.32 1.99 0.33 2.90 1.75 -0.95 -4.36 119.30 123.27 1x9l s MET 86 Ca 0.19 0.84 -0.08 0.00 -1.25 0.00 0.00 55.69 55.39 1x9l s MET 86 Cb -0.00 -4.68 0.01 0.00 2.84 0.00 0.00 34.83 33.00 1x9l s MET 86 CO -0.17 -3.70 0.53 -1.59 -0.65 0.00 0.00 175.02 169.45 1x9l s LYS 87 N 8.30 1.87 -0.15 4.11 -2.85 -1.26 -5.01 119.74 124.74 1x9l s LYS 87 Ca 0.91 -1.56 -0.29 0.00 -1.00 0.00 0.00 55.97 54.02 1x9l s LYS 87 Cb -0.14 0.49 -0.00 0.00 -2.06 0.00 0.00 37.83 36.11 1x9l s LYS 87 CO 0.16 -0.80 1.04 -1.64 0.10 0.00 0.00 175.35 174.21 1x9l s MET 88 N -3.17 4.35 0.26 1.78 -1.94 -1.26 -4.29 119.30 115.02 1x9l s MET 88 Ca 0.25 1.40 0.06 0.00 -1.71 0.00 0.00 55.69 55.70 1x9l s MET 88 Cb -0.01 -3.59 -0.05 0.00 2.01 0.00 0.00 34.83 33.18 1x9l s MET 88 CO 0.16 -0.46 -0.06 0.14 -0.01 0.00 0.00 175.02 174.78 1x9l s VAL 89 N 2.55 1.55 0.16 -6.03 -7.23 -0.31 -5.03 120.40 106.06 1x9l s VAL 89 Ca 0.47 -2.12 -0.26 0.00 -1.81 0.00 0.00 61.98 58.26 1x9l s VAL 89 Cb -0.17 -2.35 0.02 0.00 0.56 0.00 0.00 36.38 34.43 1x9l s VAL 89 CO 0.13 -0.36 1.58 1.55 -0.31 0.00 0.00 175.10 177.69 1x9l h PRO 90 N 2.37 -0.29 0.00 4.82 0.13 -1.96 -3.30 132.00 133.76 1x9l h PRO 90 Ca -0.39 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1x9l h PRO 90 Cb 1.23 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1x9l h PRO 90 CO 0.66 -0.20 0.00 -2.67 -0.23 0.00 0.00 178.00 175.56 1x9l n TRP 91 N -5.42 0.00 -3.80 1.56 -0.00 -1.26 -4.48 117.44 104.05 1x9l n TRP 91 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.39 1x9l n TRP 91 Cb 0.35 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.58 1x9l n TRP 91 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 177.69 177.21 1x9l s LEU 92 N 0.00 1.12 -0.26 5.67 -0.00 -1.26 -4.90 118.68 119.05 1x9l s LEU 92 Ca 0.00 -0.29 -0.12 0.00 -0.00 0.00 0.00 54.13 53.72 1x9l s LEU 92 Cb 0.00 1.17 -0.05 0.00 -0.00 0.00 0.00 46.19 47.31 1x9l s LEU 92 CO 0.00 -0.60 0.22 -0.89 -0.00 0.00 0.00 176.35 175.08 1x9l s THR 93 N -2.64 5.30 -0.32 5.48 2.01 -1.26 -4.18 115.64 120.03 1x9l s THR 93 Ca -0.04 0.27 -0.25 0.00 0.31 0.00 0.00 61.69 61.97 1x9l s THR 93 Cb -0.01 -3.56 0.01 0.00 0.01 0.00 0.00 72.50 68.95 1x9l s THR 93 CO -0.04 0.27 0.90 0.27 -0.69 0.00 0.00 174.62 175.32 1x9l s ILE 94 N 1.54 4.68 -1.41 1.82 -5.25 0.37 -4.94 121.20 118.02 1x9l s ILE 94 Ca 0.09 1.36 -0.13 0.00 -0.99 0.00 0.00 60.65 60.99 1x9l s ILE 94 Cb -0.15 -4.25 0.08 0.00 2.95 0.00 0.00 42.46 41.08 1x9l s ILE 94 CO 0.08 -0.35 2.13 -0.81 -1.79 0.00 0.00 174.94 174.20 1x9l n PRO 95 N 6.47 3.08 -1.31 0.37 -0.04 -1.26 -2.44 135.00 139.87 1x9l n PRO 95 Ca 0.07 -2.87 0.17 0.00 -0.04 0.00 0.00 63.50 60.83 1x9l n PRO 95 Cb 0.48 -3.18 -0.05 0.00 -0.04 0.00 0.00 33.50 30.70 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 5.45 -3.40 -0.10 0.55 0.00 -0.51 -4.80 120.51 117.71 1x9l n ALA 96 Ca 0.48 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.47 1x9l n ALA 96 Cb 0.38 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -4.06 0.00 -1.48 0.00 3.00 -1.26 -4.83 116.66 108.02 1x9l n ARG 97 Ca -0.02 0.00 -0.45 0.00 -0.01 0.00 0.00 57.85 57.37 1x9l n ARG 97 Cb 0.61 -2.79 -0.07 0.00 0.00 0.00 0.00 32.46 30.20 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 -1.19 0.26 2.77 -0.13 0.00 -1.26 -4.60 105.19 101.04 1x9l n GLY 98 Ca 0.00 0.90 -0.33 0.00 0.00 0.00 0.00 46.02 46.59 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 7.46 4.07 -2.79 2.61 -1.04 -1.24 -2.37 114.28 120.97 1x9l n THR 99 Ca 0.44 -5.47 -0.32 0.00 -2.04 0.00 0.00 64.05 56.66 1x9l n THR 99 Cb 0.28 -1.41 -0.05 0.00 -1.82 0.00 0.00 70.33 67.33 1x9l n THR 99 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1x9l s LEU 100 N -3.85 3.85 0.03 -4.42 2.96 -0.79 -4.91 118.68 111.55 1x9l s LEU 100 Ca 0.46 1.39 0.02 0.00 -0.22 0.00 0.00 54.13 55.77 1x9l s LEU 100 Cb 0.29 -4.26 -0.02 0.00 0.50 0.00 0.00 46.19 42.70 1x9l s LEU 100 CO -0.18 -0.39 -0.06 0.28 -1.32 0.00 0.00 176.35 174.68 1x9l s THR 101 N -2.31 0.41 -0.19 3.68 -1.32 -1.26 -0.76 115.64 113.89 1x9l s THR 101 Ca 0.56 -0.83 -0.03 0.00 -1.21 0.00 0.00 61.69 60.18 1x9l s THR 101 Cb -0.10 -0.46 -0.01 0.00 -1.51 0.00 0.00 72.50 70.41 1x9l s THR 101 CO 0.24 -0.29 -0.05 -0.76 -2.21 0.00 0.00 174.62 171.55 1x9l s LEU 102 N -1.20 2.94 0.02 9.08 1.02 0.11 -4.58 118.68 126.07 1x9l s LEU 102 Ca -0.08 -0.32 -0.11 0.00 0.02 0.00 0.00 54.13 53.63 1x9l s LEU 102 Cb -0.08 -1.73 0.01 0.00 0.02 0.00 0.00 46.19 44.41 1x9l s LEU 102 CO 0.00 0.05 0.24 0.00 0.02 0.00 0.00 176.35 176.66 1x9l s GLN 103 N 1.05 0.66 0.53 1.70 0.00 -0.63 -3.03 119.66 119.95 1x9l s GLN 103 Ca 0.01 -0.43 0.40 0.00 -0.00 0.00 0.00 55.36 55.33 1x9l s GLN 103 Cb -0.15 0.28 1.58 0.00 0.00 0.00 0.00 33.01 34.73 1x9l s GLN 103 CO -0.00 -0.19 1.71 0.07 0.00 0.00 0.00 175.29 176.88 1x9l h ARG 104 N 3.70 0.03 0.09 9.60 0.11 -1.95 0.27 114.38 126.24 1x9l h ARG 104 Ca -0.31 -0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.76 1x9l h ARG 104 Cb 1.19 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.26 1x9l h ARG 104 CO 0.44 0.02 -0.04 0.22 0.10 0.00 0.00 179.97 180.71 1x9l h ASP 105 N 0.03 -0.10 -3.60 0.08 3.58 -2.00 -3.49 116.42 110.92 1x9l h ASP 105 Ca 0.72 -0.44 -0.34 0.00 0.42 0.00 0.00 57.03 57.39 1x9l h ASP 105 Cb 2.77 0.03 -0.32 0.00 1.72 0.00 0.00 39.33 43.52 1x9l h ASP 105 CO -0.07 0.43 -0.75 -0.83 -2.88 0.00 0.00 179.24 175.14 1x9l s GLY 106 N -3.23 0.25 -1.20 -0.78 0.00 0.97 -4.72 107.32 98.62 1x9l s GLY 106 Ca -0.15 0.03 -0.28 0.00 0.00 0.00 0.00 44.72 44.32 1x9l s GLY 106 CO 0.59 0.34 0.54 1.22 0.00 0.00 0.00 173.10 175.79 1x9l n ASP 107 N 3.75 -3.09 -4.57 1.64 9.92 -1.26 -1.60 116.55 121.34 1x9l n ASP 107 Ca -0.22 -1.24 -0.26 0.00 -0.53 0.00 0.00 54.79 52.54 1x9l n ASP 107 Cb 0.53 -1.49 -0.11 0.00 -0.64 0.00 0.00 41.12 39.42 1x9l n ASP 107 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 1x9l s HIS 108 N -3.73 2.31 -0.12 1.24 -3.43 -1.23 -3.82 115.29 106.51 1x9l s HIS 108 Ca 0.40 -0.78 -0.02 0.00 -0.80 0.00 0.00 55.06 53.85 1x9l s HIS 108 Cb -0.22 -1.62 -0.03 0.00 -1.43 0.00 0.00 32.58 29.28 1x9l s HIS 108 CO 0.93 0.30 -0.03 0.14 -2.00 0.00 0.00 174.74 174.07 1x9l s VAL 109 N -2.89 3.98 -0.44 -5.38 -7.23 -1.26 -1.45 120.40 105.72 1x9l s VAL 109 Ca 0.33 -0.35 -0.12 0.00 -1.81 0.00 0.00 61.98 60.03 1x9l s VAL 109 Cb 0.09 -2.71 0.07 0.00 0.56 0.00 0.00 36.38 34.40 1x9l s VAL 109 CO 0.16 0.54 0.32 -0.04 -0.31 0.00 0.00 175.10 175.77 1x9l s MET 110 N -0.19 2.79 -0.96 4.82 -1.94 0.94 -3.25 119.30 121.51 1x9l s MET 110 Ca 0.04 -1.38 -0.18 0.00 -1.71 0.00 0.00 55.69 52.46 1x9l s MET 110 Cb -0.13 -3.94 0.14 0.00 2.01 0.00 0.00 34.83 32.91 1x9l s MET 110 CO 0.02 -0.97 1.15 -0.51 -0.01 0.00 0.00 175.02 174.70 1x9l s LEU 111 N 1.53 5.16 0.31 -0.03 1.02 0.78 -0.76 118.68 126.69 1x9l s LEU 111 Ca 0.03 -2.21 -0.20 0.00 0.02 0.00 0.00 54.13 51.77 1x9l s LEU 111 Cb -0.23 -2.39 -0.09 0.00 0.02 0.00 0.00 46.19 43.50 1x9l s LEU 111 CO 0.05 -0.99 0.81 -0.32 0.02 0.00 0.00 176.35 175.91 1x9l s MET 112 N 2.37 4.23 0.00 1.70 1.75 0.34 -0.96 119.30 128.73 1x9l s MET 112 Ca 0.33 0.93 0.00 0.00 -1.25 0.00 0.00 55.69 55.70 1x9l s MET 112 Cb -0.05 -2.60 0.00 0.00 2.84 0.00 0.00 34.83 35.02 1x9l s MET 112 CO -0.08 0.22 0.00 0.41 -0.65 0.00 0.00 175.02 174.92 1x9l n GLY 113 N 0.11 0.15 3.43 2.11 0.00 -1.10 -0.11 105.19 109.79 1x9l n GLY 113 Ca 0.02 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.69 0.10 0.00 0.99 -0.00 0.02 -0.17 117.00 117.24 1x9l n LEU 114 Ca 0.00 0.67 0.00 0.00 -0.00 0.00 0.00 56.01 56.68 1x9l n LEU 114 Cb 0.33 -1.14 0.00 0.00 -0.00 0.00 0.00 43.42 42.62 1x9l n LEU 114 CO 0.00 -3.35 0.00 0.29 -0.00 0.00 0.00 177.39 174.33 1x9l n LYS 115 N 0.02 0.00 0.00 1.47 4.01 -0.06 -4.73 118.16 118.87 1x9l n LYS 115 Ca 0.10 0.32 0.00 0.00 -0.51 0.00 0.00 58.31 58.23 1x9l n LYS 115 Cb 0.48 -0.81 0.00 0.00 -0.51 0.00 0.00 35.03 34.20 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 -1.89 0.00 -1.99 1.97 1.74 -1.26 -5.07 116.66 110.15 1x9l n ARG 116 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 1x9l n ARG 116 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 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 0.00 2.47 -3.88 5.56 -0.04 -1.26 -4.83 135.00 133.02 1x9l n PRO 117 Ca 0.00 -2.67 -0.28 0.00 -0.04 0.00 0.00 63.50 60.51 1x9l n PRO 117 Cb 0.00 -3.39 -0.17 0.00 -0.04 0.00 0.00 33.50 29.90 1x9l n PRO 117 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1x9l s LEU 118 N 4.58 1.43 -0.05 1.53 0.05 -1.26 -4.89 118.68 120.06 1x9l s LEU 118 Ca 0.56 -0.55 0.00 0.00 0.05 0.00 0.00 54.13 54.19 1x9l s LEU 118 Cb 0.08 -0.86 0.02 0.00 -2.05 0.00 0.00 46.19 43.38 1x9l s LEU 118 CO 0.05 -0.17 -0.02 -0.54 -0.55 0.00 0.00 176.35 175.12 1x9l s LYS 119 N 1.68 0.64 -0.79 1.48 1.02 -1.26 -4.94 119.74 117.57 1x9l s LYS 119 Ca 0.02 -0.01 -0.25 0.00 0.02 0.00 0.00 55.97 55.75 1x9l s LYS 119 Cb -0.14 -0.77 -0.15 0.00 -0.52 0.00 0.00 37.83 36.25 1x9l s LYS 119 CO -0.08 -0.15 2.41 1.55 -0.92 0.00 0.00 175.35 178.17 1x9l n VAL 120 N 4.32 -0.00 0.00 3.17 3.14 -1.26 -0.85 118.33 126.84 1x9l n VAL 120 Ca -0.21 -0.51 0.00 0.00 -2.96 0.00 0.00 64.34 60.66 1x9l n VAL 120 Cb 0.51 -1.95 0.00 0.00 -1.06 0.00 0.00 33.84 31.33 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 6.73 2.07 0.90 7.55 0.00 0.93 -4.95 105.19 118.43 1x9l n GLY 121 Ca 0.47 -0.19 -0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.85 -3.71 1.61 4.71 -0.03 -4.72 120.64 117.66 1x9l n GLU 122 Ca 0.00 -0.47 -0.11 0.00 -0.01 0.00 0.00 57.16 56.57 1x9l n GLU 122 Cb 0.00 -0.36 -0.11 0.00 -1.01 0.00 0.00 31.44 29.95 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 -1.61 -0.03 0.07 2.62 2.01 -1.26 -0.65 115.64 116.79 1x9l s THR 123 Ca 0.18 0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.35 1x9l s THR 123 Cb -0.01 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 1x9l s THR 123 CO 0.13 0.04 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.24 1x9l s VAL 124 N 1.27 1.37 0.57 3.82 1.01 0.07 -4.95 120.40 123.57 1x9l s VAL 124 Ca -0.09 -1.33 -0.18 0.00 0.00 0.00 0.00 61.98 60.38 1x9l s VAL 124 Cb -0.09 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 1x9l s VAL 124 CO -0.11 -0.09 1.12 0.20 0.00 0.00 0.00 175.10 176.22 1x9l s ASN 125 N -1.64 5.63 0.15 3.32 -0.87 -1.26 -0.15 114.94 120.11 1x9l s ASN 125 Ca 0.02 2.11 0.09 0.00 -1.57 0.00 0.00 52.86 53.51 1x9l s ASN 125 Cb -0.10 -2.57 -0.04 0.00 -0.02 0.00 0.00 41.25 38.52 1x9l s ASN 125 CO 0.03 -1.28 -0.14 -0.51 -2.57 0.00 0.00 177.10 172.63 1x9l s ILE 126 N -1.93 3.04 -0.23 0.60 2.07 0.16 -4.40 121.20 120.51 1x9l s ILE 126 Ca 0.71 -1.57 -0.01 0.00 -1.41 0.00 0.00 60.65 58.37 1x9l s ILE 126 Cb -0.22 -2.45 0.07 0.00 0.13 0.00 0.00 42.46 39.98 1x9l s ILE 126 CO 0.30 -0.00 0.03 -0.89 -1.91 0.00 0.00 174.94 172.46 1x9l s THR 127 N -1.43 0.91 0.32 4.00 2.01 0.11 -0.83 115.64 120.73 1x9l s THR 127 Ca 0.22 -0.97 -0.17 0.00 0.31 0.00 0.00 61.69 61.08 1x9l s THR 127 Cb -0.10 -1.42 -0.09 0.00 0.01 0.00 0.00 72.50 70.90 1x9l s THR 127 CO 0.13 -0.30 0.78 -0.22 -0.69 0.00 0.00 174.62 174.32 1x9l s LEU 128 N 1.66 4.10 -0.29 4.42 1.98 0.54 -1.46 118.68 129.64 1x9l s LEU 128 Ca 0.00 1.40 0.01 0.00 -2.89 0.00 0.00 54.13 52.65 1x9l s LEU 128 Cb -0.18 -4.08 0.15 0.00 0.66 0.00 0.00 46.19 42.75 1x9l s LEU 128 CO -0.12 -0.19 0.37 -1.59 -1.89 0.00 0.00 176.35 172.94 1x9l s LYS 129 N -2.81 0.38 0.38 1.98 0.00 -1.26 -0.72 119.74 117.68 1x9l s LYS 129 Ca 0.54 0.08 -0.22 0.00 0.00 0.00 0.00 55.97 56.36 1x9l s LYS 129 Cb -0.11 -0.44 -0.10 0.00 0.00 0.00 0.00 37.83 37.17 1x9l s LYS 129 CO 0.17 -1.00 0.92 0.00 0.00 0.00 0.00 175.35 175.44 1x9l s ALA 130 N 2.48 3.13 0.32 0.59 0.00 -0.49 -2.98 121.76 124.82 1x9l s ALA 130 Ca 0.10 0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.49 1x9l s ALA 130 Cb -0.13 -3.11 0.67 0.00 0.00 0.00 0.00 23.12 20.55 1x9l s ALA 130 CO -0.30 0.17 1.87 0.00 0.00 0.00 0.00 175.76 177.50 1x9l h THR 131 N 2.14 0.92 -0.14 0.00 1.03 -1.87 0.15 112.91 115.14 1x9l h THR 131 Ca -0.48 -0.30 -0.16 0.00 -0.01 0.00 0.00 66.41 65.46 1x9l h THR 131 Cb 1.18 -0.02 -0.01 0.00 -1.07 0.00 0.00 68.15 68.23 1x9l h THR 131 CO 0.63 0.16 -0.58 0.44 -0.01 0.00 0.00 175.52 176.16 1x9l h ASP 132 N 0.86 0.49 -2.22 0.00 5.19 -1.93 -3.40 116.42 115.42 1x9l h ASP 132 Ca 0.45 -0.27 -0.58 0.00 -0.62 0.00 0.00 57.03 56.01 1x9l h ASP 132 Cb 0.51 -0.14 -0.39 0.00 0.18 0.00 0.00 39.33 39.50 1x9l h ASP 132 CO -0.21 0.96 -1.02 0.61 -3.12 0.00 0.00 179.24 176.47 1x9l n GLY 133 N 0.27 2.54 2.20 2.75 0.00 0.40 -5.02 105.19 108.32 1x9l n GLY 133 Ca -0.03 -1.48 -0.20 0.00 0.00 0.00 0.00 46.02 44.31 1x9l n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x9l n ARG 134 N 2.17 2.39 -3.15 1.61 1.74 -0.49 -1.39 116.66 119.53 1x9l n ARG 134 Ca 0.26 -1.64 0.04 0.00 -0.77 0.00 0.00 57.85 55.74 1x9l n ARG 134 Cb 0.50 -2.14 -0.00 0.00 -1.02 0.00 0.00 32.46 29.79 1x9l n ARG 134 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1x9l s THR 135 N -0.05 -0.94 -0.01 0.55 2.01 -1.25 -4.80 115.64 111.16 1x9l s THR 135 Ca 0.64 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 62.41 1x9l s THR 135 Cb 0.32 -0.96 0.05 0.00 0.01 0.00 0.00 72.50 71.92 1x9l s THR 135 CO -0.08 0.00 0.51 -0.22 -0.69 0.00 0.00 174.62 174.14 1x9l s LEU 136 N 2.85 0.02 -0.02 4.42 0.20 0.10 -4.91 118.68 121.34 1x9l s LEU 136 Ca 0.14 0.34 0.00 0.00 0.69 0.00 0.00 54.13 55.30 1x9l s LEU 136 Cb -0.11 1.99 0.03 0.00 -0.43 0.00 0.00 46.19 47.67 1x9l s LEU 136 CO -0.24 -0.59 0.01 0.54 -0.29 0.00 0.00 176.35 175.78 1x9l s ASN 137 N -1.49 0.26 0.22 3.68 4.22 -1.26 -0.34 114.94 120.22 1x9l s ASN 137 Ca -0.10 0.01 -0.03 0.00 -2.14 0.00 0.00 52.86 50.60 1x9l s ASN 137 Cb -0.02 -0.15 -0.03 0.00 1.28 0.00 0.00 41.25 42.33 1x9l s ASN 137 CO 0.04 -0.11 0.21 -0.69 -2.04 0.00 0.00 177.10 174.51 1x9l s VAL 138 N 1.05 0.00 -0.13 3.54 1.01 -0.01 -4.99 120.40 120.86 1x9l s VAL 138 Ca -0.09 -1.88 -0.09 0.00 0.00 0.00 0.00 61.98 59.92 1x9l s VAL 138 Cb -0.13 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1x9l s VAL 138 CO -0.02 0.00 0.16 0.00 0.00 0.00 0.00 175.10 175.24 1x9l s ALA 139 N -4.09 3.80 -0.20 5.51 0.00 -1.26 -0.67 121.76 124.85 1x9l s ALA 139 Ca 0.36 -0.61 -0.00 0.00 0.00 0.00 0.00 51.96 51.70 1x9l s ALA 139 Cb 0.05 -2.07 0.02 0.00 0.00 0.00 0.00 23.12 21.12 1x9l s ALA 139 CO 0.12 0.46 -0.14 0.00 0.00 0.00 0.00 175.76 176.21 1x9l s ALA 140 N -0.59 2.51 -0.02 0.00 0.00 0.79 -2.85 121.76 121.60 1x9l s ALA 140 Ca 0.14 -1.28 -0.28 0.00 0.00 0.00 0.00 51.96 50.54 1x9l s ALA 140 Cb -0.12 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 1x9l s ALA 140 CO 0.03 -0.49 0.88 0.99 0.00 0.00 0.00 175.76 177.17 1x9l s THR 141 N 1.33 4.91 -0.53 0.00 2.01 -0.13 -0.75 115.64 122.48 1x9l s THR 141 Ca 0.04 1.84 -0.22 0.00 0.31 0.00 0.00 61.69 63.66 1x9l s THR 141 Cb -0.14 -4.22 0.05 0.00 0.01 0.00 0.00 72.50 68.20 1x9l s THR 141 CO -0.09 0.20 0.78 -0.69 -0.69 0.00 0.00 174.62 174.14 1x9l s VAL 142 N 0.86 4.63 -0.28 3.82 1.01 0.18 -0.63 120.40 129.99 1x9l s VAL 142 Ca 0.46 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 1x9l s VAL 142 Cb -0.20 -4.42 0.13 0.00 0.00 0.00 0.00 36.38 31.89 1x9l s VAL 142 CO 0.25 -0.95 0.27 -0.54 0.00 0.00 0.00 175.10 174.13 1x9l s LYS 143 N 3.28 0.30 0.00 2.72 -0.14 0.32 -0.05 119.74 126.18 1x9l s LYS 143 Ca 0.23 -0.15 0.00 0.00 -1.36 0.00 0.00 55.97 54.68 1x9l s LYS 143 Cb -0.16 -0.74 0.00 0.00 -1.68 0.00 0.00 37.83 35.26 1x9l s LYS 143 CO 0.16 -1.00 0.89 1.63 -0.76 0.00 0.00 175.35 176.27 1x9l n LYS 144 N 5.31 0.00 -1.03 1.68 5.02 -1.26 -4.07 118.16 123.81 1x9l n LYS 144 Ca -0.03 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1x9l n LYS 144 Cb 0.46 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1x9l n LYS 144 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1x9l n ASN 145 N -2.12 -5.92 -4.43 4.39 3.02 -1.26 -4.70 115.26 104.25 1x9l n ASN 145 Ca 0.00 0.80 -0.37 0.00 -0.03 0.00 0.00 54.58 54.98 1x9l n ASN 145 Cb 0.00 -2.72 -0.09 0.00 -0.61 0.00 0.00 39.78 36.36 1x9l n ASN 145 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1x9l n ILE 146 N -0.88 -0.53 -1.50 2.41 -5.35 -1.26 -4.92 119.36 107.33 1x9l n ILE 146 Ca 0.00 -0.26 -0.29 0.00 -0.27 0.00 0.00 62.75 61.93 1x9l n ILE 146 Cb 0.00 -0.77 0.17 0.00 -1.74 0.00 0.00 39.64 37.30 1x9l n ILE 146 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1x9l s GLU 147 N -7.32 0.53 0.00 6.28 -1.05 -1.26 -4.03 118.70 111.84 1x9l s GLU 147 Ca 0.40 0.10 0.00 0.00 -0.15 0.00 0.00 54.97 55.32 1x9l s GLU 147 Cb -0.23 -1.79 0.00 0.00 -0.44 0.00 0.00 34.13 31.67 1x9l s GLU 147 CO 1.01 -2.58 0.00 0.41 0.95 0.00 0.00 175.26 175.06 1x9l n GLY 148 N -2.18 1.27 0.74 -3.83 0.00 -1.26 -5.08 105.19 94.84 1x9l n GLY 148 Ca 0.09 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.21 1x9l n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86