#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lmi n ALA 2 N 0.00 1.91 -1.83 -1.46 0.00 -1.26 -4.74 120.51 113.12 1lmi n ALA 2 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 1lmi n ALA 2 Cb 0.00 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.06 1lmi n ALA 2 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1lmi s TYR 3 N -3.12 3.46 0.42 0.00 1.51 -1.26 -4.54 117.35 113.82 1lmi s TYR 3 Ca 0.08 1.44 -0.02 0.00 -1.01 0.00 0.00 57.07 57.56 1lmi s TYR 3 Cb 0.12 -2.79 -0.03 0.00 -0.11 0.00 0.00 41.96 39.15 1lmi s TYR 3 CO 0.42 -0.48 0.66 -1.25 -1.11 0.00 0.00 175.55 173.79 1lmi s PRO 4 N -4.30 3.39 -0.21 -1.71 0.05 -1.21 -4.95 135.00 126.07 1lmi s PRO 4 Ca 0.58 -0.18 -0.19 0.00 0.05 0.00 0.00 61.00 61.26 1lmi s PRO 4 Cb -0.10 -2.53 -0.03 0.00 0.05 0.00 0.00 34.50 31.88 1lmi s PRO 4 CO 0.36 -0.09 0.56 0.42 0.05 0.00 0.00 177.00 178.30 1lmi s ILE 5 N -2.53 5.07 -0.04 0.56 1.01 -0.15 -4.96 121.20 120.15 1lmi s ILE 5 Ca 0.45 1.02 0.05 0.00 0.00 0.00 0.00 60.65 62.17 1lmi s ILE 5 Cb -0.10 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 1lmi s ILE 5 CO 0.40 0.14 -0.20 -0.89 0.00 0.00 0.00 174.94 174.39 1lmi s THR 6 N 1.84 2.60 0.00 2.92 2.01 -1.26 -0.98 115.64 122.77 1lmi s THR 6 Ca 0.25 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.36 1lmi s THR 6 Cb -0.16 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.38 1lmi s THR 6 CO 0.10 0.58 0.00 0.61 -0.69 0.00 0.00 174.62 175.22 1lmi n GLY 7 N 2.43 3.53 3.88 4.40 0.00 -0.00 -4.96 105.19 114.48 1lmi n GLY 7 Ca -0.17 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 1lmi n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lmi s LYS 8 N 1.26 3.46 0.20 1.61 3.01 -1.26 -0.96 119.74 127.06 1lmi s LYS 8 Ca 0.00 -0.15 -0.32 0.00 -1.01 0.00 0.00 55.97 54.49 1lmi s LYS 8 Cb 0.00 -3.17 -0.15 0.00 -1.01 0.00 0.00 37.83 33.50 1lmi s LYS 8 CO 0.00 0.75 1.17 1.28 0.51 0.00 0.00 175.35 179.06 1lmi n LEU 9 N 1.73 1.78 0.00 3.17 4.77 -0.09 -1.04 117.00 127.32 1lmi n LEU 9 Ca -0.18 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 1lmi n LEU 9 Cb 0.54 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 1lmi n LEU 9 CO 0.34 -1.21 0.00 0.61 -1.33 0.00 0.00 177.39 175.80 1lmi n GLY 10 N 1.92 2.16 3.87 -0.72 0.00 0.12 -4.97 105.19 107.57 1lmi n GLY 10 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1lmi n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lmi s SER 11 N -1.42 6.04 -0.22 1.61 0.01 -0.21 -4.88 113.70 114.63 1lmi s SER 11 Ca 0.00 0.16 -0.17 0.00 1.31 0.00 0.00 55.95 57.25 1lmi s SER 11 Cb 0.00 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 1lmi s SER 11 CO 0.00 0.17 0.44 -0.70 0.41 0.00 0.00 173.24 173.56 1lmi s GLU 12 N -2.50 4.15 -0.11 12.44 2.12 -1.26 -3.71 118.70 129.82 1lmi s GLU 12 Ca 0.33 0.25 -0.04 0.00 0.36 0.00 0.00 54.97 55.87 1lmi s GLU 12 Cb -0.13 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 1lmi s GLU 12 CO 0.26 -0.14 0.05 -0.51 -0.54 0.00 0.00 175.26 174.38 1lmi s LEU 13 N 1.61 3.85 -0.16 2.70 1.43 0.22 -4.89 118.68 123.45 1lmi s LEU 13 Ca 0.20 0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.43 1lmi s LEU 13 Cb -0.15 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 1lmi s LEU 13 CO 0.09 0.36 0.19 -0.89 0.23 0.00 0.00 176.35 176.32 1lmi s THR 14 N -0.74 5.38 -0.02 5.49 2.01 -1.26 -1.01 115.64 125.49 1lmi s THR 14 Ca 0.12 0.32 0.03 0.00 0.31 0.00 0.00 61.69 62.47 1lmi s THR 14 Cb -0.12 -3.51 -0.00 0.00 0.01 0.00 0.00 72.50 68.88 1lmi s THR 14 CO 0.03 0.47 -0.10 -0.32 -0.69 0.00 0.00 174.62 174.01 1lmi s MET 15 N 0.00 0.91 -0.24 4.92 0.00 0.17 -4.99 119.30 120.07 1lmi s MET 15 Ca 0.13 -0.34 -0.10 0.00 0.00 0.00 0.00 55.69 55.38 1lmi s MET 15 Cb -0.12 -0.86 -0.05 0.00 0.00 0.00 0.00 34.83 33.80 1lmi s MET 15 CO 0.02 0.17 0.14 0.99 0.00 0.00 0.00 175.02 176.34 1lmi s THR 16 N -0.04 5.09 -0.49 10.11 2.01 -1.26 -1.26 115.64 129.80 1lmi s THR 16 Ca 0.01 0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.13 1lmi s THR 16 Cb -0.06 -3.38 0.13 0.00 0.01 0.00 0.00 72.50 69.20 1lmi s THR 16 CO 0.00 0.34 0.23 -0.62 -0.69 0.00 0.00 174.62 173.88 1lmi s ASP 17 N 1.19 4.47 0.37 3.53 2.15 0.11 -4.95 116.67 123.55 1lmi s ASP 17 Ca 0.06 -2.83 0.27 0.00 0.43 0.00 0.00 52.55 50.48 1lmi s ASP 17 Cb -0.14 -1.65 0.88 0.00 -0.30 0.00 0.00 42.92 41.70 1lmi s ASP 17 CO 0.05 -0.27 1.77 0.74 -0.17 0.00 0.00 175.17 177.29 1lmi h THR 18 N 5.70 0.00 -0.62 1.71 2.02 -1.95 0.13 112.91 119.90 1lmi h THR 18 Ca -0.07 -0.57 -0.08 0.00 0.77 0.00 0.00 66.41 66.47 1lmi h THR 18 Cb 0.92 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 1lmi h THR 18 CO 0.66 0.00 0.09 0.58 0.37 0.00 0.00 175.52 177.22 1lmi h VAL 19 N 0.00 1.26 -0.01 3.16 2.07 -1.93 -3.00 116.25 117.80 1lmi h VAL 19 Ca 0.00 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1lmi h VAL 19 Cb 0.66 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1lmi h VAL 19 CO 0.00 0.38 -0.10 0.61 0.02 0.00 0.00 177.57 178.47 1lmi n GLY 20 N -0.54 -0.19 3.70 2.17 0.00 -0.87 -4.94 105.19 104.52 1lmi n GLY 20 Ca 0.03 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 1lmi n GLY 20 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1lmi n GLN 21 N -0.10 -6.82 -4.27 1.61 -0.06 0.33 -4.99 117.38 103.08 1lmi n GLN 21 Ca 0.16 0.73 -0.18 0.00 -2.00 0.00 0.00 57.00 55.72 1lmi n GLN 21 Cb 0.36 -5.72 -0.11 0.00 -4.06 0.00 0.00 30.24 20.72 1lmi n GLN 21 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 1lmi s VAL 22 N -3.30 1.44 -0.05 1.69 -7.23 -0.49 -4.48 120.40 107.99 1lmi s VAL 22 Ca 0.61 -1.88 0.03 0.00 -1.81 0.00 0.00 61.98 58.93 1lmi s VAL 22 Cb -0.29 -1.71 0.01 0.00 0.56 0.00 0.00 36.38 34.95 1lmi s VAL 22 CO 0.75 -0.48 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.24 1lmi s VAL 23 N -2.45 1.17 0.06 1.32 1.01 -0.47 0.09 120.40 121.14 1lmi s VAL 23 Ca 0.13 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 1lmi s VAL 23 Cb -0.03 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1lmi s VAL 23 CO 0.04 0.35 -0.04 -1.48 0.00 0.00 0.00 175.10 173.97 1lmi s LEU 24 N 0.37 2.48 -0.07 3.92 2.34 -0.39 -1.50 118.68 125.84 1lmi s LEU 24 Ca -0.09 -0.97 0.04 0.00 0.06 0.00 0.00 54.13 53.17 1lmi s LEU 24 Cb -0.13 0.10 -0.02 0.00 -0.56 0.00 0.00 46.19 45.58 1lmi s LEU 24 CO 0.03 -0.53 -0.20 -0.83 -1.06 0.00 0.00 176.35 173.76 1lmi s GLY 25 N -2.86 1.41 -0.07 -3.48 0.00 -0.18 -0.65 107.32 101.48 1lmi s GLY 25 Ca 0.07 -1.00 0.04 0.00 0.00 0.00 0.00 44.72 43.83 1lmi s GLY 25 CO -0.08 -0.59 -0.19 -0.98 0.00 0.00 0.00 173.10 171.26 1lmi s TRP 26 N -0.22 2.03 -0.13 1.90 0.52 -0.18 -0.35 118.94 122.52 1lmi s TRP 26 Ca -0.01 -0.73 -0.03 0.00 0.02 0.00 0.00 56.10 55.35 1lmi s TRP 26 Cb -0.13 -1.38 -0.03 0.00 -1.15 0.00 0.00 33.47 30.77 1lmi s TRP 26 CO 0.03 -0.29 -0.02 0.21 0.02 0.00 0.00 176.95 176.90 1lmi s LYS 27 N 0.29 3.40 -0.06 4.98 2.20 0.23 -0.61 119.74 130.17 1lmi s LYS 27 Ca -0.12 -0.47 0.03 0.00 -0.36 0.00 0.00 55.97 55.05 1lmi s LYS 27 Cb -0.15 -2.87 0.01 0.00 -1.51 0.00 0.00 37.83 33.30 1lmi s LYS 27 CO 0.05 0.43 -0.14 0.08 -0.36 0.00 0.00 175.35 175.42 1lmi s VAL 28 N -0.14 1.22 0.26 4.02 1.01 -1.24 -0.84 120.40 124.67 1lmi s VAL 28 Ca 0.04 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 1lmi s VAL 28 Cb -0.13 -1.09 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 1lmi s VAL 28 CO 0.02 0.37 0.47 -0.94 0.00 0.00 0.00 175.10 175.02 1lmi s SER 29 N 0.47 0.01 -1.34 3.32 1.04 -0.31 0.14 113.70 117.03 1lmi s SER 29 Ca -0.12 -1.01 -0.05 0.00 0.48 0.00 0.00 55.95 55.25 1lmi s SER 29 Cb -0.14 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.58 1lmi s SER 29 CO 0.03 -1.15 0.99 0.47 0.98 0.00 0.00 173.24 174.56 1lmi n ASP 30 N -0.48 -3.69 -4.65 7.02 8.00 -1.26 -0.73 116.55 120.76 1lmi n ASP 30 Ca -0.01 -0.67 -0.43 0.00 0.71 0.00 0.00 54.79 54.39 1lmi n ASP 30 Cb 0.62 -4.63 -0.02 0.00 -0.02 0.00 0.00 41.12 37.07 1lmi n ASP 30 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1lmi s LEU 31 N -6.89 4.04 0.09 0.64 2.96 -1.26 -4.00 118.68 114.26 1lmi s LEU 31 Ca 0.31 1.50 -0.25 0.00 -0.22 0.00 0.00 54.13 55.46 1lmi s LEU 31 Cb -0.14 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.09 1lmi s LEU 31 CO 0.77 -0.93 0.73 -1.59 -1.32 0.00 0.00 176.35 174.00 1lmi s LYS 32 N 3.88 1.09 0.32 1.98 -2.85 0.07 -5.00 119.74 119.23 1lmi s LYS 32 Ca 0.57 -0.41 -0.29 0.00 -1.00 0.00 0.00 55.97 54.84 1lmi s LYS 32 Cb -0.20 0.50 -0.12 0.00 -2.06 0.00 0.00 37.83 35.95 1lmi s LYS 32 CO 0.19 -0.48 1.42 0.45 0.10 0.00 0.00 175.35 177.04 1lmi n SER 33 N -0.33 3.22 -4.68 0.03 2.88 -1.26 -1.01 113.62 112.48 1lmi n SER 33 Ca -0.13 1.19 -0.28 0.00 -1.33 0.00 0.00 58.87 58.31 1lmi n SER 33 Cb 0.63 -1.53 -0.08 0.00 -0.75 0.00 0.00 64.21 62.49 1lmi n SER 33 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1lmi s SER 34 N 0.02 4.93 0.00 -3.46 0.15 0.28 -4.77 113.70 110.86 1lmi s SER 34 Ca 0.59 -0.27 0.23 0.00 0.70 0.00 0.00 55.95 57.21 1lmi s SER 34 Cb -0.55 -1.13 0.16 0.00 -1.71 0.00 0.00 66.02 62.79 1lmi s SER 34 CO 0.57 0.13 1.19 0.35 1.20 0.00 0.00 173.24 176.68 1lmi n THR 35 N 0.22 0.00 -1.64 6.45 -2.24 -1.26 -4.62 114.28 111.20 1lmi n THR 35 Ca -0.10 -0.19 -0.44 0.00 -2.27 0.00 0.00 64.05 61.05 1lmi n THR 35 Cb 0.53 0.99 -0.01 0.00 -2.10 0.00 0.00 70.33 69.74 1lmi n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lmi n ALA 36 N -0.40 0.47 -2.93 6.98 0.00 -1.26 -4.98 120.51 118.39 1lmi n ALA 36 Ca 0.09 0.38 -0.35 0.00 0.00 0.00 0.00 53.44 53.56 1lmi n ALA 36 Cb 0.42 -2.13 -0.11 0.00 0.00 0.00 0.00 19.45 17.63 1lmi n ALA 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1lmi s VAL 37 N -1.07 4.43 0.00 0.00 0.11 -1.26 -4.84 120.40 117.78 1lmi s VAL 37 Ca 0.57 -0.15 -0.24 0.00 -2.93 0.00 0.00 61.98 59.23 1lmi s VAL 37 Cb -0.64 -3.02 -0.14 0.00 -1.53 0.00 0.00 36.38 31.05 1lmi s VAL 37 CO 0.61 0.41 1.04 0.40 -3.33 0.00 0.00 175.10 174.23 1lmi h ILE 38 N 5.20 0.10 0.00 7.04 1.08 -1.93 -3.44 117.51 125.57 1lmi h ILE 38 Ca -0.36 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 63.71 1lmi h ILE 38 Cb 1.18 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 35.08 1lmi h ILE 38 CO 0.64 0.02 0.00 -0.81 -0.69 0.00 0.00 178.15 177.30 1lmi n PRO 39 N -5.32 0.58 -1.19 2.37 -0.04 -1.26 -2.70 135.00 127.44 1lmi n PRO 39 Ca -0.11 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.29 1lmi n PRO 39 Cb 0.33 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.77 1lmi n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1lmi n GLY 40 N 4.41 0.85 3.83 0.55 0.00 -1.26 -4.87 105.19 108.70 1lmi n GLY 40 Ca 0.00 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 1lmi n GLY 40 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lmi s TYR 41 N -2.09 3.62 -1.38 1.61 6.14 -1.26 -5.02 117.35 118.97 1lmi s TYR 41 Ca 0.00 0.72 -0.15 0.00 0.64 0.00 0.00 57.07 58.28 1lmi s TYR 41 Cb 0.00 -2.16 0.07 0.00 0.42 0.00 0.00 41.96 40.29 1lmi s TYR 41 CO 0.00 0.60 2.01 -0.35 0.64 0.00 0.00 175.55 178.44 1lmi n PRO 42 N 2.25 3.06 -1.73 4.97 -0.04 -1.26 -4.97 135.00 137.28 1lmi n PRO 42 Ca -0.16 -2.96 -0.42 0.00 -0.04 0.00 0.00 63.50 59.92 1lmi n PRO 42 Cb 0.53 -3.31 -0.03 0.00 -0.04 0.00 0.00 33.50 30.66 1lmi n PRO 42 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1lmi s VAL 43 N 3.16 2.37 -0.10 0.52 1.01 -1.26 -4.91 120.40 121.19 1lmi s VAL 43 Ca 0.48 0.06 0.20 0.00 0.00 0.00 0.00 61.98 62.72 1lmi s VAL 43 Cb 0.10 -3.04 -0.29 0.00 0.00 0.00 0.00 36.38 33.14 1lmi s VAL 43 CO -0.02 0.00 0.30 0.00 0.00 0.00 0.00 175.10 175.37 1lmi n ALA 44 N 5.04 2.24 -2.98 5.51 0.00 -1.26 -5.02 120.51 124.04 1lmi n ALA 44 Ca 0.17 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1lmi n ALA 44 Cb 0.37 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1lmi n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lmi n GLY 45 N 1.50 3.06 3.54 0.00 0.00 -1.26 -4.96 105.19 107.07 1lmi n GLY 45 Ca -0.16 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 1lmi n GLY 45 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1lmi s GLN 46 N 3.96 3.76 0.11 1.61 2.00 -0.20 -4.86 119.66 126.04 1lmi s GLN 46 Ca 0.00 -0.47 -0.31 0.00 -2.00 0.00 0.00 55.36 52.59 1lmi s GLN 46 Cb 0.00 -3.02 -0.07 0.00 0.80 0.00 0.00 33.01 30.72 1lmi s GLN 46 CO 0.00 0.24 1.25 0.08 -0.50 0.00 0.00 175.29 176.36 1lmi s VAL 47 N 0.40 3.71 0.30 1.34 1.01 -1.26 -0.65 120.40 125.25 1lmi s VAL 47 Ca -0.02 1.28 0.09 0.00 0.00 0.00 0.00 61.98 63.33 1lmi s VAL 47 Cb -0.14 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 1lmi s VAL 47 CO 0.02 0.13 0.02 0.26 0.00 0.00 0.00 175.10 175.52 1lmi s TRP 48 N 0.78 2.63 0.10 5.22 0.52 -0.12 -0.56 118.94 127.52 1lmi s TRP 48 Ca 0.59 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 56.40 1lmi s TRP 48 Cb -0.32 -1.34 -0.04 0.00 -1.15 0.00 0.00 33.47 30.61 1lmi s TRP 48 CO 0.31 0.54 -0.03 -1.83 0.02 0.00 0.00 176.95 175.96 1lmi s GLU 49 N -3.71 0.84 0.10 4.98 -1.05 -0.18 -1.29 118.70 118.39 1lmi s GLU 49 Ca 0.33 -1.35 -0.03 0.00 -0.15 0.00 0.00 54.97 53.77 1lmi s GLU 49 Cb -0.04 -0.07 -0.03 0.00 -0.44 0.00 0.00 34.13 33.55 1lmi s GLU 49 CO 0.20 -0.09 0.07 0.00 0.95 0.00 0.00 175.26 176.40 1lmi s ALA 50 N -3.75 0.52 -0.25 -0.84 0.00 -0.47 -0.75 121.76 116.21 1lmi s ALA 50 Ca 0.14 -1.22 -0.06 0.00 0.00 0.00 0.00 51.96 50.82 1lmi s ALA 50 Cb 0.06 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 1lmi s ALA 50 CO -0.04 -0.47 0.04 0.99 0.00 0.00 0.00 175.76 176.28 1lmi s THR 51 N -3.98 3.99 0.00 0.00 2.01 0.09 -1.41 115.64 116.34 1lmi s THR 51 Ca 0.16 -0.35 0.08 0.00 0.31 0.00 0.00 61.69 61.89 1lmi s THR 51 Cb 0.07 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.67 1lmi s THR 51 CO -0.04 0.32 -0.26 0.00 -0.69 0.00 0.00 174.62 173.96 1lmi s ALA 52 N 1.56 2.14 -0.06 7.40 0.00 -0.33 -1.17 121.76 131.30 1lmi s ALA 52 Ca 0.06 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.88 1lmi s ALA 52 Cb -0.15 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.48 1lmi s ALA 52 CO 0.01 0.52 -0.06 0.99 0.00 0.00 0.00 175.76 177.22 1lmi s THR 53 N -0.66 0.72 -0.06 0.00 2.01 -0.02 -1.36 115.64 116.27 1lmi s THR 53 Ca 0.10 -0.19 -0.00 0.00 0.31 0.00 0.00 61.69 61.91 1lmi s THR 53 Cb -0.10 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 1lmi s THR 53 CO -0.00 0.28 -0.02 0.54 -0.69 0.00 0.00 174.62 174.73 1lmi s VAL 54 N 1.10 4.10 -0.19 3.82 0.11 -0.24 -0.60 120.40 128.50 1lmi s VAL 54 Ca -0.08 -0.41 0.01 0.00 -2.93 0.00 0.00 61.98 58.58 1lmi s VAL 54 Cb -0.14 -2.74 0.03 0.00 -1.53 0.00 0.00 36.38 32.00 1lmi s VAL 54 CO -0.01 0.54 -0.13 0.21 -3.33 0.00 0.00 175.10 172.38 1lmi s ASN 55 N -1.05 3.23 -0.95 3.54 2.47 0.53 -0.96 114.94 121.75 1lmi s ASN 55 Ca 0.15 -0.77 -0.22 0.00 0.42 0.00 0.00 52.86 52.43 1lmi s ASN 55 Cb -0.11 -1.28 0.07 0.00 -1.45 0.00 0.00 41.25 38.48 1lmi s ASN 55 CO 0.04 -0.10 1.31 0.00 -3.72 0.00 0.00 177.10 174.63 1lmi s ALA 56 N 1.38 2.94 -0.00 1.71 0.00 -0.58 -1.01 121.76 126.20 1lmi s ALA 56 Ca 0.01 -2.32 -0.18 0.00 0.00 0.00 0.00 51.96 49.47 1lmi s ALA 56 Cb -0.15 -4.32 -0.34 0.00 0.00 0.00 0.00 23.12 18.31 1lmi s ALA 56 CO -0.09 -3.35 0.94 0.82 0.00 0.00 0.00 175.76 174.08 1lmi h ILE 57 N 6.39 1.34 -3.36 0.00 2.04 -1.58 0.21 117.51 122.56 1lmi h ILE 57 Ca 0.12 -2.63 -0.40 0.00 1.00 0.00 0.00 64.86 62.95 1lmi h ILE 57 Cb 1.02 3.08 -0.36 0.00 -0.74 0.00 0.00 36.82 39.82 1lmi h ILE 57 CO 1.30 0.78 -0.76 -0.60 0.00 0.00 0.00 178.15 178.87 1lmi s ARG 58 N -2.54 0.50 0.00 2.37 3.52 -0.58 -4.63 118.95 117.60 1lmi s ARG 58 Ca -0.11 0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.58 1lmi s ARG 58 Cb 0.03 -0.78 0.00 0.00 -1.56 0.00 0.00 34.95 32.64 1lmi s ARG 58 CO 0.90 -0.22 0.00 0.41 -0.81 0.00 0.00 175.30 175.58 1lmi n GLY 59 N 4.70 -1.83 3.73 8.12 0.00 -1.26 -1.36 105.19 117.29 1lmi n GLY 59 Ca -0.15 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 1lmi n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lmi s SER 60 N -4.49 7.38 -0.07 1.61 1.04 -1.26 -3.12 113.70 114.80 1lmi s SER 60 Ca 0.00 1.89 0.05 0.00 0.48 0.00 0.00 55.95 58.37 1lmi s SER 60 Cb 0.00 -2.59 -0.00 0.00 0.10 0.00 0.00 66.02 63.52 1lmi s SER 60 CO 0.00 -0.17 -0.23 -0.69 0.98 0.00 0.00 173.24 173.14 1lmi s VAL 61 N 0.12 1.90 -0.36 5.02 1.01 -0.35 -4.94 120.40 122.79 1lmi s VAL 61 Ca 0.49 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 1lmi s VAL 61 Cb -0.25 -1.62 0.04 0.00 0.00 0.00 0.00 36.38 34.55 1lmi s VAL 61 CO 0.31 0.53 0.16 -0.89 0.00 0.00 0.00 175.10 175.21 1lmi s THR 62 N 0.07 4.03 0.26 3.92 2.01 -1.26 -0.28 115.64 124.40 1lmi s THR 62 Ca -0.09 -1.13 -0.30 0.00 0.31 0.00 0.00 61.69 60.48 1lmi s THR 62 Cb -0.15 -3.32 -0.09 0.00 0.01 0.00 0.00 72.50 68.95 1lmi s THR 62 CO 0.05 -0.26 1.27 -2.16 -0.69 0.00 0.00 174.62 172.83 1lmi s PRO 63 N 1.44 4.42 -1.21 4.92 0.04 -1.26 -4.88 135.00 138.47 1lmi s PRO 63 Ca 0.00 2.06 -0.07 0.00 0.04 0.00 0.00 61.00 63.04 1lmi s PRO 63 Cb -0.20 -3.15 0.22 0.00 0.04 0.00 0.00 34.50 31.40 1lmi s PRO 63 CO 0.03 -0.15 1.80 0.00 0.04 0.00 0.00 177.00 178.72 1lmi n ALA 64 N 1.76 5.49 0.20 8.56 0.00 -1.26 -4.79 120.51 130.47 1lmi n ALA 64 Ca 0.03 -4.47 0.06 0.00 0.00 0.00 0.00 53.44 49.06 1lmi n ALA 64 Cb 0.43 -2.72 0.53 0.00 0.00 0.00 0.00 19.45 17.69 1lmi n ALA 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1lmi h VAL 65 N 3.45 1.09 0.00 0.00 2.07 -1.97 -1.00 116.25 119.89 1lmi h VAL 65 Ca 0.37 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1lmi h VAL 65 Cb 0.58 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1lmi h VAL 65 CO 1.50 0.11 0.00 -1.54 0.02 0.00 0.00 177.57 177.66 1lmi n SER 66 N -4.41 0.04 0.00 0.57 3.41 -1.26 -2.11 113.62 109.86 1lmi n SER 66 Ca -0.02 0.52 0.14 0.00 -0.26 0.00 0.00 58.87 59.24 1lmi n SER 66 Cb 0.17 -0.52 0.62 0.00 -0.26 0.00 0.00 64.21 64.22 1lmi n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lmi n GLN 67 N -1.55 0.06 -2.61 4.33 6.02 -0.38 -4.81 117.38 118.44 1lmi n GLN 67 Ca 0.01 0.02 -0.33 0.00 -0.01 0.00 0.00 57.00 56.69 1lmi n GLN 67 Cb 0.07 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.78 1lmi n GLN 67 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1lmi s PHE 68 N -2.94 3.34 -0.06 1.08 0.08 -0.90 -0.87 117.98 117.72 1lmi s PHE 68 Ca 0.15 1.55 -0.20 0.00 0.12 0.00 0.00 56.93 58.55 1lmi s PHE 68 Cb 0.18 -2.84 0.04 0.00 -0.57 0.00 0.00 43.02 39.83 1lmi s PHE 68 CO 0.50 -0.28 0.45 -0.80 -0.10 0.00 0.00 175.22 174.99 1lmi s ASN 69 N -2.56 -0.39 -0.10 1.36 0.01 -0.37 -1.67 114.94 111.23 1lmi s ASN 69 Ca 0.61 0.44 -0.01 0.00 -0.71 0.00 0.00 52.86 53.19 1lmi s ASN 69 Cb -0.10 0.51 -0.03 0.00 0.41 0.00 0.00 41.25 42.04 1lmi s ASN 69 CO 0.22 -0.44 -0.04 0.00 -1.51 0.00 0.00 177.10 175.33 1lmi s ALA 70 N -0.97 3.06 0.12 0.60 0.00 0.22 -0.49 121.76 124.29 1lmi s ALA 70 Ca -0.10 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.04 1lmi s ALA 70 Cb -0.03 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 1lmi s ALA 70 CO 0.05 0.45 -0.08 1.03 0.00 0.00 0.00 175.76 177.21 1lmi s ARG 71 N -0.41 0.92 0.43 0.00 0.52 0.13 -0.10 118.95 120.44 1lmi s ARG 71 Ca 0.07 -1.38 -0.01 0.00 -0.52 0.00 0.00 55.73 53.89 1lmi s ARG 71 Cb -0.12 -0.35 -0.02 0.00 0.52 0.00 0.00 34.95 34.98 1lmi s ARG 71 CO 0.02 0.01 0.65 0.95 0.02 0.00 0.00 175.30 176.96 1lmi s THR 72 N -3.52 4.44 0.47 0.02 -4.23 -0.56 -1.09 115.64 111.17 1lmi s THR 72 Ca 0.14 -0.38 0.14 0.00 -1.18 0.00 0.00 61.69 60.40 1lmi s THR 72 Cb 0.04 -3.64 0.29 0.00 1.34 0.00 0.00 72.50 70.53 1lmi s THR 72 CO -0.03 -0.47 2.07 0.00 -0.54 0.00 0.00 174.62 175.66 1lmi h ALA 73 N 0.47 1.96 0.00 3.99 0.00 -1.90 -1.26 119.26 122.52 1lmi h ALA 73 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1lmi h ALA 73 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1lmi h ALA 73 CO 0.59 -0.01 -0.22 -0.40 0.00 0.00 0.00 179.25 179.21 1lmi n ASP 74 N -4.49 0.43 0.00 0.00 5.68 -1.26 -4.93 116.55 111.98 1lmi n ASP 74 Ca 0.03 0.29 0.00 0.00 -0.50 0.00 0.00 54.79 54.61 1lmi n ASP 74 Cb 0.18 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 1lmi n ASP 74 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lmi n GLY 75 N 1.42 1.34 3.77 6.12 0.00 -0.47 -5.10 105.19 112.27 1lmi n GLY 75 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1lmi n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lmi s ILE 76 N -2.00 2.16 -0.04 -0.61 1.01 -1.26 -4.81 121.20 115.65 1lmi s ILE 76 Ca 0.00 0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.85 1lmi s ILE 76 Cb 0.00 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 1lmi s ILE 76 CO 0.00 0.03 -0.19 0.21 0.00 0.00 0.00 174.94 175.00 1lmi s ASN 77 N 0.06 2.33 -0.17 3.58 2.47 -1.26 -1.50 114.94 120.44 1lmi s ASN 77 Ca 0.56 -0.38 0.01 0.00 0.42 0.00 0.00 52.86 53.47 1lmi s ASN 77 Cb -0.46 -0.62 0.03 0.00 -1.45 0.00 0.00 41.25 38.75 1lmi s ASN 77 CO 0.56 0.17 -0.14 -0.31 -3.72 0.00 0.00 177.10 173.66 1lmi s TYR 78 N -0.03 2.42 0.48 0.43 2.02 0.86 -4.98 117.35 118.55 1lmi s TYR 78 Ca -0.03 -1.46 -0.23 0.00 -0.37 0.00 0.00 57.07 54.97 1lmi s TYR 78 Cb -0.12 -1.70 -0.07 0.00 -0.40 0.00 0.00 41.96 39.68 1lmi s TYR 78 CO 0.02 -0.73 1.29 1.03 -1.57 0.00 0.00 175.55 175.59 1lmi s ARG 79 N 1.40 3.55 0.48 -0.62 1.81 -1.26 -0.61 118.95 123.70 1lmi s ARG 79 Ca 0.03 2.09 -0.24 0.00 -1.72 0.00 0.00 55.73 55.88 1lmi s ARG 79 Cb -0.14 -2.44 -0.07 0.00 -0.45 0.00 0.00 34.95 31.85 1lmi s ARG 79 CO -0.10 -0.81 1.42 0.54 -0.68 0.00 0.00 175.30 175.67 1lmi s VAL 80 N -1.36 2.01 -1.33 3.52 0.11 -0.67 -4.33 120.40 118.35 1lmi s VAL 80 Ca 0.65 0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 59.60 1lmi s VAL 80 Cb -0.36 -3.00 0.13 0.00 -1.53 0.00 0.00 36.38 31.61 1lmi s VAL 80 CO 0.44 0.00 1.96 0.18 -3.33 0.00 0.00 175.10 174.35 1lmi n LEU 81 N -0.45 6.62 -4.81 2.54 4.77 0.85 -4.98 117.00 121.55 1lmi n LEU 81 Ca 0.07 -4.48 -0.34 0.00 -0.03 0.00 0.00 56.01 51.23 1lmi n LEU 81 Cb 0.42 -1.54 -0.05 0.00 -2.33 0.00 0.00 43.42 39.92 1lmi n LEU 81 CO 0.58 1.25 0.68 -1.66 -1.33 0.00 0.00 177.39 176.91 1lmi s TRP 82 N 1.31 3.19 0.20 -1.77 -2.14 -1.26 -2.77 118.94 115.72 1lmi s TRP 82 Ca 0.42 1.60 -0.10 0.00 2.66 0.00 0.00 56.10 60.68 1lmi s TRP 82 Cb 0.10 -2.95 0.14 0.00 -3.10 0.00 0.00 33.47 27.66 1lmi s TRP 82 CO -0.02 -0.41 1.84 1.96 -2.66 0.00 0.00 176.95 177.65 1lmi h GLN 83 N 1.84 1.01 0.00 3.25 1.08 -1.99 -3.48 115.11 116.82 1lmi h GLN 83 Ca -0.49 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 56.61 1lmi h GLN 83 Cb 1.20 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 1lmi h GLN 83 CO 0.60 0.73 0.00 0.00 -0.95 0.00 0.00 178.83 179.21 1lmi n ALA 84 N -2.34 2.66 -1.00 3.87 0.00 -1.11 -4.81 120.51 117.77 1lmi n ALA 84 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1lmi n ALA 84 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1lmi n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lmi n ALA 85 N -1.99 0.00 -1.51 0.00 0.00 -1.26 -5.06 120.51 110.70 1lmi n ALA 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1lmi n ALA 85 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1lmi n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lmi n GLY 86 N 2.66 -0.90 3.76 0.00 0.00 -1.10 -4.78 105.19 104.83 1lmi n GLY 86 Ca 0.00 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1lmi n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1lmi s PRO 87 N -1.49 4.47 -1.64 1.61 0.04 -1.26 -3.46 135.00 133.28 1lmi s PRO 87 Ca 0.00 1.94 -0.14 0.00 0.04 0.00 0.00 61.00 62.84 1lmi s PRO 87 Cb 0.00 -3.08 0.12 0.00 0.04 0.00 0.00 34.50 31.58 1lmi s PRO 87 CO 0.00 0.02 0.66 -0.25 0.04 0.00 0.00 177.00 177.46 1lmi n ASP 88 N 0.91 -2.36 -4.77 6.66 8.00 -1.26 -4.64 116.55 119.09 1lmi n ASP 88 Ca -0.00 -1.04 -0.40 0.00 0.71 0.00 0.00 54.79 54.06 1lmi n ASP 88 Cb 0.44 -2.70 -0.01 0.00 -0.02 0.00 0.00 41.12 38.83 1lmi n ASP 88 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1lmi s THR 89 N -3.50 2.56 0.45 -3.53 2.01 -1.22 -0.28 115.64 112.13 1lmi s THR 89 Ca 0.54 0.53 -0.24 0.00 0.31 0.00 0.00 61.69 62.83 1lmi s THR 89 Cb -0.30 -3.33 -0.09 0.00 0.01 0.00 0.00 72.50 68.80 1lmi s THR 89 CO 0.93 0.10 1.24 0.00 -0.69 0.00 0.00 174.62 176.20 1lmi n ILE 90 N 0.38 2.76 -2.58 1.82 3.06 -0.66 -4.56 119.36 119.58 1lmi n ILE 90 Ca 0.02 -0.50 -0.36 0.00 -2.50 0.00 0.00 62.75 59.41 1lmi n ILE 90 Cb 0.42 -1.51 -0.04 0.00 0.54 0.00 0.00 39.64 39.04 1lmi n ILE 90 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1lmi s SER 91 N -0.64 6.84 0.00 9.51 0.15 -1.26 -4.94 113.70 123.36 1lmi s SER 91 Ca 0.63 2.00 0.18 0.00 0.70 0.00 0.00 55.95 59.46 1lmi s SER 91 Cb -0.50 -2.58 0.52 0.00 -1.71 0.00 0.00 66.02 61.75 1lmi s SER 91 CO 0.56 -0.43 1.42 0.61 1.20 0.00 0.00 173.24 176.60 1lmi n GLY 92 N 0.33 1.01 3.76 9.45 0.00 -1.26 -4.87 105.19 113.61 1lmi n GLY 92 Ca 0.05 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1lmi n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lmi s ALA 93 N -1.52 2.58 0.25 4.61 0.00 -1.26 -4.47 121.76 121.94 1lmi s ALA 93 Ca 0.33 0.90 -0.30 0.00 0.00 0.00 0.00 51.96 52.89 1lmi s ALA 93 Cb 0.18 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.80 1lmi s ALA 93 CO 0.25 -1.05 1.34 0.99 0.00 0.00 0.00 175.76 177.29 1lmi s THR 94 N -1.73 2.94 -0.03 0.00 2.01 -1.26 -4.53 115.64 113.04 1lmi s THR 94 Ca 0.75 0.82 0.07 0.00 0.31 0.00 0.00 61.69 63.64 1lmi s THR 94 Cb -0.27 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 1lmi s THR 94 CO 0.32 0.14 -0.25 0.27 -0.69 0.00 0.00 174.62 174.41 1lmi s ILE 95 N -0.25 1.99 0.74 1.82 -4.36 0.62 -4.96 121.20 116.81 1lmi s ILE 95 Ca 0.55 -1.07 -0.11 0.00 -0.26 0.00 0.00 60.65 59.77 1lmi s ILE 95 Cb -0.39 -1.66 0.04 0.00 1.25 0.00 0.00 42.46 41.70 1lmi s ILE 95 CO 0.43 0.56 1.08 -2.16 0.24 0.00 0.00 174.94 175.09 1lmi s PRO 96 N -0.51 2.52 0.22 0.37 0.04 -1.26 -1.22 135.00 135.16 1lmi s PRO 96 Ca 0.07 1.09 -0.31 0.00 0.04 0.00 0.00 61.00 61.89 1lmi s PRO 96 Cb -0.10 -1.93 -0.14 0.00 0.04 0.00 0.00 34.50 32.36 1lmi s PRO 96 CO -0.00 -1.44 1.24 0.94 0.04 0.00 0.00 177.00 177.78 1lmi n GLN 97 N -3.36 1.55 0.00 4.56 7.27 -1.18 -2.05 117.38 124.16 1lmi n GLN 97 Ca 0.08 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.70 1lmi n GLN 97 Cb 0.53 -2.09 0.00 0.00 2.41 0.00 0.00 30.24 31.09 1lmi n GLN 97 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1lmi n GLY 98 N 1.92 1.39 4.01 1.69 0.00 0.75 -5.02 105.19 109.94 1lmi n GLY 98 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 1lmi n GLY 98 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lmi s GLU 99 N -0.69 2.70 0.13 1.61 2.02 -0.87 -4.91 118.70 118.70 1lmi s GLU 99 Ca 0.00 -1.28 0.01 0.00 0.02 0.00 0.00 54.97 53.72 1lmi s GLU 99 Cb 0.00 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 1lmi s GLU 99 CO 0.00 -0.42 -0.02 -0.65 0.02 0.00 0.00 175.26 174.19 1lmi s GLN 100 N -4.44 0.95 -0.05 1.61 -0.21 -1.26 -1.52 119.66 114.74 1lmi s GLN 100 Ca 0.57 -1.43 -0.02 0.00 0.02 0.00 0.00 55.36 54.49 1lmi s GLN 100 Cb -0.09 -0.14 0.03 0.00 1.00 0.00 0.00 33.01 33.80 1lmi s GLN 100 CO 0.35 -0.10 0.11 0.45 -2.12 0.00 0.00 175.29 173.97 1lmi s SER 101 N -3.09 -0.07 0.16 5.90 0.15 -0.14 -4.99 113.70 111.63 1lmi s SER 101 Ca 0.18 0.22 0.04 0.00 0.70 0.00 0.00 55.95 57.09 1lmi s SER 101 Cb 0.06 0.13 -0.05 0.00 -1.71 0.00 0.00 66.02 64.46 1lmi s SER 101 CO -0.01 -0.12 -0.07 0.28 1.20 0.00 0.00 173.24 174.52 1lmi s THR 102 N 0.89 1.06 -3.54 6.45 -1.32 -1.26 -1.08 115.64 116.84 1lmi s THR 102 Ca -0.07 -2.04 0.00 0.00 -1.21 0.00 0.00 61.69 58.37 1lmi s THR 102 Cb -0.09 -1.94 0.00 0.00 -1.51 0.00 0.00 72.50 68.96 1lmi s THR 102 CO -0.04 -0.66 0.00 0.61 -2.21 0.00 0.00 174.62 172.32 1lmi n GLY 103 N -0.22 -1.78 3.89 6.08 0.00 -0.46 -4.43 105.19 108.27 1lmi n GLY 103 Ca -0.09 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 1lmi n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lmi s LYS 104 N -1.65 3.68 0.07 1.61 -0.14 0.61 -1.19 119.74 122.72 1lmi s LYS 104 Ca 0.00 0.22 0.06 0.00 -1.36 0.00 0.00 55.97 54.89 1lmi s LYS 104 Cb 0.00 -2.49 -0.03 0.00 -1.68 0.00 0.00 37.83 33.63 1lmi s LYS 104 CO 0.00 0.04 -0.16 0.96 -0.76 0.00 0.00 175.35 175.43 1lmi s ILE 105 N -2.32 1.23 0.24 2.17 -4.36 -0.50 -1.65 121.20 116.01 1lmi s ILE 105 Ca 0.47 -1.25 0.10 0.00 -0.26 0.00 0.00 60.65 59.72 1lmi s ILE 105 Cb -0.10 -1.15 -0.05 0.00 1.25 0.00 0.00 42.46 42.41 1lmi s ILE 105 CO 0.33 -0.11 -0.18 -0.31 0.24 0.00 0.00 174.94 174.90 1lmi s TYR 106 N -1.11 2.07 0.02 1.37 2.02 -1.26 -1.37 117.35 119.08 1lmi s TYR 106 Ca 0.01 -0.42 -0.01 0.00 -0.37 0.00 0.00 57.07 56.28 1lmi s TYR 106 Cb -0.09 -0.93 -0.02 0.00 -0.40 0.00 0.00 41.96 40.52 1lmi s TYR 106 CO 0.02 0.56 -0.01 -0.06 -1.57 0.00 0.00 175.55 174.49 1lmi s PHE 107 N -2.57 0.24 -0.50 2.71 0.08 -0.41 -0.10 117.98 117.43 1lmi s PHE 107 Ca 0.26 -0.49 -0.12 0.00 0.12 0.00 0.00 56.93 56.70 1lmi s PHE 107 Cb -0.04 -0.18 0.12 0.00 -0.57 0.00 0.00 43.02 42.36 1lmi s PHE 107 CO 0.11 -0.20 0.41 0.34 -0.10 0.00 0.00 175.22 175.78 1lmi s ASP 108 N -1.47 5.91 -0.41 1.36 2.15 -1.26 -0.95 116.67 121.99 1lmi s ASP 108 Ca -0.16 -1.84 -0.23 0.00 0.43 0.00 0.00 52.55 50.76 1lmi s ASP 108 Cb -0.10 -2.09 0.02 0.00 -0.30 0.00 0.00 42.92 40.45 1lmi s ASP 108 CO -0.01 -0.76 0.78 -0.69 -0.17 0.00 0.00 175.17 174.32 1lmi s VAL 109 N 1.47 4.69 -1.85 1.11 1.01 0.18 -4.81 120.40 122.19 1lmi s VAL 109 Ca 0.05 0.61 0.15 0.00 0.00 0.00 0.00 61.98 62.78 1lmi s VAL 109 Cb -0.28 -4.27 0.12 0.00 0.00 0.00 0.00 36.38 31.95 1lmi s VAL 109 CO 0.01 -0.60 0.97 0.35 0.00 0.00 0.00 175.10 175.83 1lmi n THR 110 N 5.99 0.00 -1.35 3.92 -2.24 -1.26 -1.03 114.28 118.31 1lmi n THR 110 Ca 0.02 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1lmi n THR 110 Cb 0.48 1.31 0.00 0.00 -2.10 0.00 0.00 70.33 70.02 1lmi n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lmi n GLY 111 N 0.84 5.42 3.62 3.38 0.00 -1.26 -4.99 105.19 112.20 1lmi n GLY 111 Ca 0.09 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 1lmi n GLY 111 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1lmi n PRO 112 N 0.00 0.86 -2.08 1.61 -0.02 -1.26 -4.92 135.00 129.19 1lmi n PRO 112 Ca 0.00 0.34 -0.41 0.00 -2.02 0.00 0.00 63.50 61.41 1lmi n PRO 112 Cb 0.00 -2.20 -0.02 0.00 -0.02 0.00 0.00 33.50 31.26 1lmi n PRO 112 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1lmi s SER 113 N -1.31 6.72 0.60 2.55 0.01 -1.26 -4.88 113.70 116.13 1lmi s SER 113 Ca 0.77 2.72 -0.12 0.00 1.31 0.00 0.00 55.95 60.63 1lmi s SER 113 Cb -0.40 -2.65 -0.05 0.00 0.21 0.00 0.00 66.02 63.13 1lmi s SER 113 CO 0.46 -0.59 1.01 -2.16 0.41 0.00 0.00 173.24 172.38 1lmi s PRO 114 N -1.63 3.66 0.00 12.44 0.04 -1.26 -4.70 135.00 143.55 1lmi s PRO 114 Ca 0.51 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1lmi s PRO 114 Cb -0.41 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1lmi s PRO 114 CO 0.53 -0.51 0.32 0.25 0.04 0.00 0.00 177.00 177.63 1lmi n THR 115 N -2.54 0.09 -4.07 1.26 -2.24 -0.25 -4.95 114.28 101.58 1lmi n THR 115 Ca 0.06 -0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.54 1lmi n THR 115 Cb 0.54 1.41 -0.13 0.00 -2.10 0.00 0.00 70.33 70.05 1lmi n THR 115 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1lmi s ILE 116 N -0.09 0.39 -0.03 2.28 1.01 -0.84 -3.77 121.20 120.16 1lmi s ILE 116 Ca 0.00 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.11 1lmi s ILE 116 Cb 0.00 -0.41 -0.02 0.00 0.01 0.00 0.00 42.46 42.04 1lmi s ILE 116 CO 0.00 -0.15 -0.25 -0.69 0.00 0.00 0.00 174.94 173.85 1lmi s VAL 117 N -0.74 2.14 0.00 2.92 1.01 -0.36 -0.69 120.40 124.68 1lmi s VAL 117 Ca -0.05 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 60.89 1lmi s VAL 117 Cb -0.06 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1lmi s VAL 117 CO -0.00 0.58 -0.09 0.00 0.00 0.00 0.00 175.10 175.59 1lmi s ALA 118 N -0.54 0.75 -0.23 5.51 0.00 0.35 -0.80 121.76 126.80 1lmi s ALA 118 Ca 0.08 -0.44 -0.09 0.00 0.00 0.00 0.00 51.96 51.51 1lmi s ALA 118 Cb -0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1lmi s ALA 118 CO -0.00 0.17 0.12 -1.64 0.00 0.00 0.00 175.76 174.41 1lmi s MET 119 N -0.37 3.98 -0.03 0.00 -1.94 0.94 -1.23 119.30 120.65 1lmi s MET 119 Ca 0.02 -0.32 0.03 0.00 -1.71 0.00 0.00 55.69 53.71 1lmi s MET 119 Cb -0.04 -3.43 0.00 0.00 2.01 0.00 0.00 34.83 33.37 1lmi s MET 119 CO -0.00 0.07 -0.11 1.21 -0.01 0.00 0.00 175.02 176.17 1lmi s ASN 120 N 1.00 1.46 -0.19 3.03 2.47 -0.04 -0.66 114.94 122.01 1lmi s ASN 120 Ca 0.06 -0.23 0.16 0.00 0.42 0.00 0.00 52.86 53.27 1lmi s ASN 120 Cb -0.14 -0.39 0.76 0.00 -1.45 0.00 0.00 41.25 40.04 1lmi s ASN 120 CO 0.04 0.09 1.68 -0.46 -3.72 0.00 0.00 177.10 174.73 1lmi n ASN 121 N 3.24 5.25 0.00 -4.21 0.23 -0.91 -4.51 115.26 114.35 1lmi n ASN 121 Ca -0.18 -2.76 0.00 0.00 -0.53 0.00 0.00 54.58 51.11 1lmi n ASN 121 Cb 0.54 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.61 1lmi n ASN 121 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1lmi n GLY 122 N 0.73 3.15 0.11 4.83 0.00 -1.26 -4.75 105.19 108.00 1lmi n GLY 122 Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.13 1lmi n GLY 122 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1lmi n MET 123 N -1.57 0.61 -3.73 1.61 2.81 -1.26 -5.08 117.12 110.51 1lmi n MET 123 Ca 0.00 0.12 -0.04 0.00 -1.81 0.00 0.00 57.70 55.97 1lmi n MET 123 Cb 0.00 -1.46 -0.01 0.00 -0.71 0.00 0.00 33.22 31.04 1lmi n MET 123 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1lmi s GLU 124 N -2.45 1.15 0.06 0.03 -1.05 -1.26 -5.13 118.70 110.05 1lmi s GLU 124 Ca -0.29 -0.62 -0.31 0.00 -0.15 0.00 0.00 54.97 53.60 1lmi s GLU 124 Cb 0.08 0.40 -0.06 0.00 -0.44 0.00 0.00 34.13 34.12 1lmi s GLU 124 CO 0.54 -0.53 1.18 -0.51 0.95 0.00 0.00 175.26 176.89 1lmi s ASP 125 N -2.90 7.11 -0.22 0.83 1.01 -1.26 -2.15 116.67 119.08 1lmi s ASP 125 Ca 0.12 2.00 -0.11 0.00 0.71 0.00 0.00 52.55 55.26 1lmi s ASP 125 Cb -0.01 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 41.24 1lmi s ASP 125 CO 0.01 -0.44 -0.28 0.18 0.21 0.00 0.00 175.17 174.85 1lmi n LEU 126 N 3.84 1.58 -3.90 1.23 4.77 0.17 -3.36 117.00 121.32 1lmi n LEU 126 Ca 0.08 0.26 -0.16 0.00 -0.03 0.00 0.00 56.01 56.17 1lmi n LEU 126 Cb 0.47 -0.65 -0.15 0.00 -2.33 0.00 0.00 43.42 40.76 1lmi n LEU 126 CO 0.55 0.47 -0.39 -0.76 -1.33 0.00 0.00 177.39 175.93 1lmi s LEU 127 N -7.17 1.74 -0.03 2.23 1.43 -1.15 -0.98 118.68 114.74 1lmi s LEU 127 Ca -0.31 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1lmi s LEU 127 Cb 0.12 -0.23 0.01 0.00 0.03 0.00 0.00 46.19 46.12 1lmi s LEU 127 CO 0.39 0.00 -0.05 -0.63 0.23 0.00 0.00 176.35 176.29 1lmi s ILE 128 N 0.27 0.55 -0.19 -0.59 1.01 -0.15 -0.04 121.20 122.05 1lmi s ILE 128 Ca -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.43 1lmi s ILE 128 Cb -0.06 -0.54 -0.00 0.00 0.01 0.00 0.00 42.46 41.87 1lmi s ILE 128 CO -0.00 0.21 -0.10 0.26 0.00 0.00 0.00 174.94 175.30 1lmi s TRP 129 N 0.60 2.88 0.27 3.97 0.51 0.02 -0.82 118.94 126.37 1lmi s TRP 129 Ca -0.08 -1.02 0.04 0.00 -2.12 0.00 0.00 56.10 52.92 1lmi s TRP 129 Cb -0.11 -2.01 -0.06 0.00 -0.81 0.00 0.00 33.47 30.48 1lmi s TRP 129 CO 0.00 -0.53 0.00 -1.83 -0.51 0.00 0.00 176.95 174.09 1lmi s GLU 130 N 1.18 1.48 0.00 4.98 -1.05 -0.13 -1.22 118.70 123.95 1lmi s GLU 130 Ca 0.02 -1.77 0.00 0.00 -0.15 0.00 0.00 54.97 53.06 1lmi s GLU 130 Cb -0.14 -0.82 0.00 0.00 -0.44 0.00 0.00 34.13 32.73 1lmi s GLU 130 CO -0.03 -0.09 0.48 -2.30 0.95 0.00 0.00 175.26 174.26