#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gmi n VAL 2 N 0.00-11.76 -4.35 1.12 0.31 -1.26 -4.84 118.33 97.55 1gmi n VAL 2 Ca 0.00 2.81 -0.18 0.00 -0.01 0.00 0.00 64.34 66.96 1gmi n VAL 2 Cb 0.00 -5.30 -0.10 0.00 -0.91 0.00 0.00 33.84 27.53 1gmi n VAL 2 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1gmi s VAL 3 N -0.47 1.11 -0.06 2.52 -7.23 -1.26 -4.47 120.40 110.54 1gmi s VAL 3 Ca 0.00 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.17 1gmi s VAL 3 Cb 0.00 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 1gmi s VAL 3 CO 0.00 -0.28 -0.16 0.12 -0.31 0.00 0.00 175.10 174.47 1gmi s PHE 4 N -3.37 2.67 -0.25 2.82 5.36 -0.34 -1.45 117.98 123.43 1gmi s PHE 4 Ca 0.29 -0.28 -0.01 0.00 -0.96 0.00 0.00 56.93 55.98 1gmi s PHE 4 Cb 0.06 -1.65 0.07 0.00 -0.34 0.00 0.00 43.02 41.17 1gmi s PHE 4 CO 0.10 0.09 0.03 -0.80 -1.46 0.00 0.00 175.22 173.17 1gmi s ASN 5 N -0.54 3.66 0.00 6.13 0.01 -0.45 -1.24 114.94 122.51 1gmi s ASN 5 Ca 0.07 -1.26 0.00 0.00 -0.71 0.00 0.00 52.86 50.97 1gmi s ASN 5 Cb -0.11 -0.93 0.00 0.00 0.41 0.00 0.00 41.25 40.62 1gmi s ASN 5 CO 0.01 -0.32 0.00 0.61 -1.51 0.00 0.00 177.10 175.89 1gmi n GLY 6 N 4.82 -0.49 3.73 0.66 0.00 -0.50 -1.29 105.19 112.11 1gmi n GLY 6 Ca -0.07 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 1gmi n GLY 6 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1gmi s LEU 7 N 0.00 4.27 -0.18 0.99 2.96 -0.13 0.46 118.68 127.04 1gmi s LEU 7 Ca 0.00 0.68 -0.03 0.00 -0.22 0.00 0.00 54.13 54.56 1gmi s LEU 7 Cb 0.00 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.13 1gmi s LEU 7 CO 0.00 0.06 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.81 1gmi s LEU 8 N 0.46 2.94 -0.15 -0.68 2.96 -0.02 -1.38 118.68 122.81 1gmi s LEU 8 Ca 0.21 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 1gmi s LEU 8 Cb -0.14 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.84 1gmi s LEU 8 CO 0.07 0.07 -0.20 -0.75 -1.32 0.00 0.00 176.35 174.23 1gmi s LYS 9 N 0.92 3.07 -0.04 1.98 2.20 -0.38 -0.99 119.74 126.50 1gmi s LYS 9 Ca -0.01 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 1gmi s LYS 9 Cb -0.15 -2.51 0.03 0.00 -1.51 0.00 0.00 37.83 33.69 1gmi s LYS 9 CO 0.01 -0.03 0.00 -1.50 -0.36 0.00 0.00 175.35 173.46 1gmi s ILE 10 N 0.88 0.20 -0.22 5.43 2.07 0.06 -0.69 121.20 128.93 1gmi s ILE 10 Ca -0.05 0.10 -0.06 0.00 -1.41 0.00 0.00 60.65 59.23 1gmi s ILE 10 Cb -0.15 -0.31 -0.02 0.00 0.13 0.00 0.00 42.46 42.10 1gmi s ILE 10 CO -0.03 0.16 0.02 -0.75 -1.91 0.00 0.00 174.94 172.44 1gmi s LYS 11 N 1.18 3.60 -0.62 3.50 2.20 0.08 -0.82 119.74 128.86 1gmi s LYS 11 Ca -0.08 -0.52 -0.18 0.00 -0.36 0.00 0.00 55.97 54.84 1gmi s LYS 11 Cb -0.13 -3.17 0.12 0.00 -1.51 0.00 0.00 37.83 33.13 1gmi s LYS 11 CO -0.02 -0.10 0.70 0.42 -0.36 0.00 0.00 175.35 175.99 1gmi s ILE 12 N 1.33 4.93 -0.04 5.43 1.01 -0.08 -1.56 121.20 132.21 1gmi s ILE 12 Ca 0.04 -1.21 -0.08 0.00 0.00 0.00 0.00 60.65 59.41 1gmi s ILE 12 Cb -0.15 -4.49 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 1gmi s ILE 12 CO 0.02 -1.11 0.40 0.00 0.00 0.00 0.00 174.94 174.25 1gmi s GLU 14 N -2.47 1.45 0.12 0.00 -1.05 -1.22 -0.73 118.70 114.79 1gmi s GLU 14 Ca -0.04 -0.72 0.04 0.00 -0.15 0.00 0.00 54.97 54.10 1gmi s GLU 14 Cb 0.00 0.54 -0.04 0.00 -0.44 0.00 0.00 34.13 34.20 1gmi s GLU 14 CO 0.12 -0.66 -0.11 0.00 0.95 0.00 0.00 175.26 175.57 1gmi s ALA 15 N -3.68 1.28 0.04 -0.84 0.00 0.05 -0.60 121.76 118.01 1gmi s ALA 15 Ca 0.08 -1.31 -0.01 0.00 0.00 0.00 0.00 51.96 50.72 1gmi s ALA 15 Cb -0.03 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 1gmi s ALA 15 CO -0.01 -0.04 -0.02 0.14 0.00 0.00 0.00 175.76 175.83 1gmi s VAL 16 N -2.72 0.17 -1.49 0.00 -7.23 -0.50 -3.13 120.40 105.50 1gmi s VAL 16 Ca 0.10 -1.40 -0.07 0.00 -1.81 0.00 0.00 61.98 58.80 1gmi s VAL 16 Cb -0.01 -0.98 0.02 0.00 0.56 0.00 0.00 36.38 35.98 1gmi s VAL 16 CO 0.00 -0.77 0.71 -1.20 -0.31 0.00 0.00 175.10 173.53 1gmi n SER 17 N 0.75 -5.73 -4.77 4.85 7.64 -1.18 -2.19 113.62 112.99 1gmi n SER 17 Ca -0.18 -0.38 -0.39 0.00 1.01 0.00 0.00 58.87 58.93 1gmi n SER 17 Cb 0.58 -4.61 -0.02 0.00 -1.01 0.00 0.00 64.21 59.15 1gmi n SER 17 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1gmi s LEU 18 N -6.80 4.27 -0.17 -3.43 1.43 -0.35 -3.27 118.68 110.36 1gmi s LEU 18 Ca 0.39 2.38 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 1gmi s LEU 18 Cb -0.18 -3.92 0.01 0.00 0.03 0.00 0.00 46.19 42.12 1gmi s LEU 18 CO 0.48 -0.59 -0.16 -0.75 0.23 0.00 0.00 176.35 175.56 1gmi s LYS 19 N -2.13 3.14 0.35 1.70 2.20 -1.26 -4.85 119.74 118.90 1gmi s LYS 19 Ca 0.54 -0.77 -0.28 0.00 -0.36 0.00 0.00 55.97 55.09 1gmi s LYS 19 Cb -0.32 -2.62 -0.11 0.00 -1.51 0.00 0.00 37.83 33.27 1gmi s LYS 19 CO 0.41 -0.07 1.46 -2.14 -0.36 0.00 0.00 175.35 174.65 1gmi s PRO 20 N 1.01 4.17 0.63 4.03 0.02 -1.26 -4.94 135.00 138.66 1gmi s PRO 20 Ca -0.02 2.49 -0.08 0.00 0.02 0.00 0.00 61.00 63.41 1gmi s PRO 20 Cb -0.15 -3.00 0.01 0.00 0.02 0.00 0.00 34.50 31.38 1gmi s PRO 20 CO -0.04 -0.47 0.97 0.95 -0.33 0.00 0.00 177.00 178.08 1gmi s THR 21 N -0.96 3.65 0.37 0.99 -4.23 -1.26 -4.91 115.64 109.29 1gmi s THR 21 Ca 0.53 0.20 0.07 0.00 -1.18 0.00 0.00 61.69 61.31 1gmi s THR 21 Cb -0.45 -3.48 0.30 0.00 1.34 0.00 0.00 72.50 70.21 1gmi s THR 21 CO 0.59 -0.55 1.95 0.00 -0.54 0.00 0.00 174.62 176.06 1gmi h ALA 22 N -0.34 1.76 -0.31 3.99 0.00 -1.98 -1.53 119.26 120.86 1gmi h ALA 22 Ca -0.45 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 1gmi h ALA 22 Cb 1.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1gmi h ALA 22 CO 0.62 0.10 -0.12 2.35 0.00 0.00 0.00 179.25 182.20 1gmi h TRP 23 N 0.71 0.71 0.00 0.00 2.91 -1.98 -1.90 115.95 116.40 1gmi h TRP 23 Ca 0.33 -0.17 -0.01 0.00 1.13 0.00 0.00 58.89 60.17 1gmi h TRP 23 Cb 0.37 -0.17 -0.00 0.00 -0.51 0.00 0.00 29.16 28.85 1gmi h TRP 23 CO -0.00 0.83 -0.07 0.77 -1.03 0.00 0.00 178.44 178.94 1gmi h SER 24 N 0.38 0.00 1.18 2.65 0.02 -1.75 -2.41 113.55 113.62 1gmi h SER 24 Ca 0.07 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.89 1gmi h SER 24 Cb 0.63 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 1gmi h SER 24 CO 0.04 0.07 -0.85 -0.07 -1.14 0.00 0.00 176.83 174.88 1gmi h LEU 25 N 0.00 0.00 -1.45 5.07 3.38 -0.93 -3.36 115.31 118.02 1gmi h LEU 25 Ca -0.00 0.00 0.44 0.00 0.09 0.00 0.00 57.88 58.41 1gmi h LEU 25 Cb 0.33 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 1gmi h LEU 25 CO 0.01 0.56 1.03 -2.11 0.09 0.00 0.00 178.44 178.02 1gmi n ARG 26 N -3.12 -0.01 -4.01 1.13 1.85 -0.75 -4.70 116.66 107.06 1gmi n ARG 26 Ca -0.02 0.88 -0.32 0.00 -1.00 0.00 0.00 57.85 57.40 1gmi n ARG 26 Cb 0.79 -1.97 -0.15 0.00 -1.05 0.00 0.00 32.46 30.08 1gmi n ARG 26 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1gmi s ASP 27 N -3.99 4.74 -0.01 2.89 1.01 -1.26 -5.11 116.67 114.94 1gmi s ASP 27 Ca -0.04 -1.97 0.00 0.00 0.71 0.00 0.00 52.55 51.25 1gmi s ASP 27 Cb 0.22 -1.63 0.01 0.00 1.01 0.00 0.00 42.92 42.53 1gmi s ASP 27 CO 0.69 -0.35 0.27 1.33 0.21 0.00 0.00 175.17 177.32 1gmi n VAL 29 N 4.32 0.00 0.00 -1.27 0.24 -1.26 -5.12 118.33 115.24 1gmi n VAL 29 Ca -0.01 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1gmi n VAL 29 Cb 0.42 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 1gmi n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gmi n GLY 30 N -0.05 1.93 2.04 7.63 0.00 -1.26 -4.58 105.19 110.89 1gmi n GLY 30 Ca -0.03 0.39 -0.16 0.00 0.00 0.00 0.00 46.02 46.21 1gmi n GLY 30 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gmi n PRO 31 N 2.84 1.90 -3.82 1.61 -0.04 -1.26 -5.07 135.00 131.17 1gmi n PRO 31 Ca 0.00 -1.46 -0.12 0.00 -0.04 0.00 0.00 63.50 61.88 1gmi n PRO 31 Cb 0.00 -1.75 -0.10 0.00 -0.04 0.00 0.00 33.50 31.61 1gmi n PRO 31 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1gmi s ARG 32 N -0.98 0.50 -0.37 0.54 1.81 -1.26 -5.09 118.95 114.10 1gmi s ARG 32 Ca 0.41 -0.19 -0.34 0.00 -1.72 0.00 0.00 55.73 53.90 1gmi s ARG 32 Cb 0.26 0.22 -0.11 0.00 -0.45 0.00 0.00 34.95 34.87 1gmi s ARG 32 CO -0.07 -0.12 2.23 -2.30 -0.68 0.00 0.00 175.30 174.36 1gmi n PRO 33 N 1.70 1.13 -4.13 3.54 -0.02 -1.26 -4.89 135.00 131.07 1gmi n PRO 33 Ca -0.20 0.29 -0.09 0.00 -2.02 0.00 0.00 63.50 61.47 1gmi n PRO 33 Cb 0.56 -2.58 -0.10 0.00 -0.02 0.00 0.00 33.50 31.36 1gmi n PRO 33 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1gmi s GLN 34 N 6.49 0.73 -0.15 -0.52 -0.21 -1.26 -5.14 119.66 119.60 1gmi s GLN 34 Ca 1.09 -1.27 -0.16 0.00 0.02 0.00 0.00 55.36 55.04 1gmi s GLN 34 Cb -0.77 -0.02 -0.04 0.00 1.00 0.00 0.00 33.01 33.18 1gmi s GLN 34 CO 0.46 -0.06 0.37 0.99 -2.12 0.00 0.00 175.29 174.93 1gmi s THR 35 N -3.70 5.25 -0.08 -0.19 2.01 -1.26 -5.05 115.64 112.61 1gmi s THR 35 Ca 0.09 0.71 -0.23 0.00 0.31 0.00 0.00 61.69 62.57 1gmi s THR 35 Cb 0.06 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1gmi s THR 35 CO -0.07 0.34 0.70 0.12 -0.69 0.00 0.00 174.62 175.03 1gmi s PHE 36 N 0.68 3.55 -0.20 4.92 5.36 -1.26 -5.04 117.98 125.99 1gmi s PHE 36 Ca 0.20 1.23 -0.07 0.00 -0.96 0.00 0.00 56.93 57.33 1gmi s PHE 36 Cb -0.14 -2.82 -0.04 0.00 -0.34 0.00 0.00 43.02 39.69 1gmi s PHE 36 CO 0.07 0.05 0.06 -0.51 -1.46 0.00 0.00 175.22 173.42 1gmi s LEU 37 N 0.96 3.65 0.81 6.12 1.43 -1.26 -4.82 118.68 125.58 1gmi s LEU 37 Ca 0.37 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.32 1gmi s LEU 37 Cb -0.17 -1.94 0.08 0.00 0.03 0.00 0.00 46.19 44.18 1gmi s LEU 37 CO 0.17 0.11 1.16 -0.76 0.23 0.00 0.00 176.35 177.26 1gmi s LEU 38 N 0.76 2.50 -0.65 1.79 1.43 -1.26 -4.59 118.68 118.66 1gmi s LEU 38 Ca 0.03 0.88 0.05 0.00 -1.03 0.00 0.00 54.13 54.06 1gmi s LEU 38 Cb -0.14 -3.40 0.19 0.00 0.03 0.00 0.00 46.19 42.87 1gmi s LEU 38 CO 0.02 -1.91 0.52 0.47 0.23 0.00 0.00 176.35 175.69 1gmi n ASP 39 N -3.33 2.62 -4.87 2.29 8.00 -1.26 -0.35 116.55 119.64 1gmi n ASP 39 Ca 0.08 -3.13 -0.30 0.00 0.71 0.00 0.00 54.79 52.14 1gmi n ASP 39 Cb 0.60 -0.71 -0.03 0.00 -0.02 0.00 0.00 41.12 40.95 1gmi n ASP 39 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1gmi s PRO 40 N -1.45 3.79 0.10 -0.24 0.04 -1.12 -0.26 135.00 135.86 1gmi s PRO 40 Ca 0.29 0.50 -0.15 0.00 0.04 0.00 0.00 61.00 61.68 1gmi s PRO 40 Cb 0.01 -2.38 0.03 0.00 0.04 0.00 0.00 34.50 32.20 1gmi s PRO 40 CO -0.14 -0.05 0.35 1.52 0.04 0.00 0.00 177.00 178.71 1gmi s TYR 41 N -2.38 -0.13 -0.08 0.56 -0.85 -0.86 -1.11 117.35 112.49 1gmi s TYR 41 Ca 0.52 -0.15 0.04 0.00 -0.52 0.00 0.00 57.07 56.95 1gmi s TYR 41 Cb -0.10 0.17 -0.01 0.00 0.38 0.00 0.00 41.96 42.39 1gmi s TYR 41 CO 0.31 -0.63 -0.20 0.42 -1.52 0.00 0.00 175.55 173.93 1gmi s ILE 42 N -3.48 2.44 -0.10 -3.49 1.01 -1.26 -1.10 121.20 115.22 1gmi s ILE 42 Ca 0.01 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.63 1gmi s ILE 42 Cb 0.02 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 1gmi s ILE 42 CO -0.09 0.56 0.29 0.00 0.00 0.00 0.00 174.94 175.69 1gmi s ALA 43 N -0.01 3.70 -0.26 9.38 0.00 0.56 -1.20 121.76 133.93 1gmi s ALA 43 Ca -0.07 -0.43 -0.09 0.00 0.00 0.00 0.00 51.96 51.37 1gmi s ALA 43 Cb -0.15 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 1gmi s ALA 43 CO 0.05 0.34 0.11 -1.17 0.00 0.00 0.00 175.76 175.09 1gmi s LEU 44 N -0.36 3.67 -0.02 0.00 2.96 0.35 -1.45 118.68 123.82 1gmi s LEU 44 Ca 0.18 -0.12 0.06 0.00 -0.22 0.00 0.00 54.13 54.03 1gmi s LEU 44 Cb -0.14 -2.00 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 1gmi s LEU 44 CO 0.07 -0.03 -0.20 0.20 -1.32 0.00 0.00 176.35 175.07 1gmi s ASN 45 N 1.59 2.42 -0.19 3.68 0.01 -0.52 -0.01 114.94 121.91 1gmi s ASN 45 Ca 0.06 -0.38 -0.00 0.00 -0.71 0.00 0.00 52.86 51.83 1gmi s ASN 45 Cb -0.15 -0.34 0.01 0.00 0.41 0.00 0.00 41.25 41.18 1gmi s ASN 45 CO 0.06 0.24 -0.16 -0.69 -1.51 0.00 0.00 177.10 175.04 1gmi s VAL 46 N -0.40 2.40 0.00 1.60 1.01 -0.23 -0.43 120.40 124.35 1gmi s VAL 46 Ca 0.06 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1gmi s VAL 46 Cb -0.09 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.25 1gmi s VAL 46 CO -0.00 0.50 0.00 0.47 0.00 0.00 0.00 175.10 176.06 1gmi n ASP 47 N 4.66 0.00 -2.30 3.32 10.43 0.09 -1.86 116.55 130.89 1gmi n ASP 47 Ca -0.20 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 56.87 1gmi n ASP 47 Cb 0.50 0.00 0.03 0.00 1.84 0.00 0.00 41.12 43.49 1gmi n ASP 47 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1gmi n ASP 48 N 5.49 5.85 -4.05 -2.24 8.00 -1.26 -4.89 116.55 123.45 1gmi n ASP 48 Ca 0.00 -3.76 -0.23 0.00 0.71 0.00 0.00 54.79 51.50 1gmi n ASP 48 Cb 0.00 -0.60 -0.16 0.00 -0.02 0.00 0.00 41.12 40.34 1gmi n ASP 48 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1gmi s SER 49 N -2.87 1.66 -0.04 -2.24 0.01 -0.78 -5.12 113.70 104.32 1gmi s SER 49 Ca 0.54 -0.27 -0.30 0.00 1.31 0.00 0.00 55.95 57.23 1gmi s SER 49 Cb 0.43 -0.54 -0.03 0.00 0.21 0.00 0.00 66.02 66.10 1gmi s SER 49 CO -0.08 0.08 1.10 -0.60 0.41 0.00 0.00 173.24 174.15 1gmi s ARG 50 N 0.28 4.43 -0.15 12.44 6.06 -1.26 -1.07 118.95 139.68 1gmi s ARG 50 Ca -0.06 1.55 -0.02 0.00 -2.50 0.00 0.00 55.73 54.70 1gmi s ARG 50 Cb -0.11 -3.50 -0.24 0.00 0.06 0.00 0.00 34.95 31.16 1gmi s ARG 50 CO 0.02 -0.30 0.24 -0.89 -2.50 0.00 0.00 175.30 171.87 1gmi n ILE 51 N 4.35 1.69 -3.57 4.11 2.08 0.99 -4.94 119.36 124.06 1gmi n ILE 51 Ca 0.09 -0.66 0.00 0.00 0.56 0.00 0.00 62.75 62.74 1gmi n ILE 51 Cb 0.48 -1.55 0.00 0.00 -0.75 0.00 0.00 39.64 37.82 1gmi n ILE 51 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1gmi n GLY 52 N 2.01 -1.19 3.27 7.39 0.00 -1.14 -5.01 105.19 110.51 1gmi n GLY 52 Ca -0.34 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 1gmi n GLY 52 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1gmi s GLN 53 N -1.14 0.75 1.03 1.61 -2.07 -1.26 -0.50 119.66 118.08 1gmi s GLN 53 Ca 0.00 -0.27 -0.14 0.00 -1.82 0.00 0.00 55.36 53.13 1gmi s GLN 53 Cb 0.00 0.33 0.20 0.00 -1.09 0.00 0.00 33.01 32.45 1gmi s GLN 53 CO 0.00 -0.22 1.12 0.95 -1.32 0.00 0.00 175.29 175.82 1gmi s THR 54 N -1.76 1.91 0.88 3.63 -4.23 -0.34 -4.98 115.64 110.75 1gmi s THR 54 Ca -0.10 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.29 1gmi s THR 54 Cb -0.03 -2.60 0.12 0.00 1.34 0.00 0.00 72.50 71.33 1gmi s THR 54 CO 0.02 0.00 1.10 0.00 -0.54 0.00 0.00 174.62 175.20 1gmi s ALA 55 N -3.12 1.68 -0.14 3.99 0.00 -1.26 -4.61 121.76 118.30 1gmi s ALA 55 Ca 0.67 -0.15 -0.15 0.00 0.00 0.00 0.00 51.96 52.33 1gmi s ALA 55 Cb -0.14 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 1gmi s ALA 55 CO 0.56 -2.24 0.34 0.99 0.00 0.00 0.00 175.76 175.41 1gmi s THR 56 N -3.01 5.26 -0.02 0.00 2.01 -1.26 -4.47 115.64 114.15 1gmi s THR 56 Ca 0.63 0.65 -0.06 0.00 0.31 0.00 0.00 61.69 63.22 1gmi s THR 56 Cb -0.17 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1gmi s THR 56 CO 0.56 0.40 0.23 -0.54 -0.69 0.00 0.00 174.62 174.58 1gmi s LYS 57 N 0.32 3.54 -0.11 4.92 -0.14 -0.27 -4.96 119.74 123.04 1gmi s LYS 57 Ca 0.19 -0.11 -0.17 0.00 -1.36 0.00 0.00 55.97 54.51 1gmi s LYS 57 Cb -0.14 -3.11 -0.04 0.00 -1.68 0.00 0.00 37.83 32.86 1gmi s LYS 57 CO 0.06 0.68 0.45 -0.65 -0.76 0.00 0.00 175.35 175.13 1gmi s GLN 58 N -1.64 4.29 -0.94 1.68 -1.52 -1.26 -2.79 119.66 117.48 1gmi s GLN 58 Ca 0.25 0.41 -0.10 0.00 -1.95 0.00 0.00 55.36 53.98 1gmi s GLN 58 Cb -0.13 -3.41 0.00 0.00 -0.22 0.00 0.00 33.01 29.26 1gmi s GLN 58 CO 0.14 0.23 0.68 1.63 -0.25 0.00 0.00 175.29 177.73 1gmi n LYS 59 N 3.42 -1.25 -3.63 2.91 5.02 -0.69 -4.96 118.16 118.98 1gmi n LYS 59 Ca -0.08 0.75 -0.13 0.00 -2.02 0.00 0.00 58.31 56.83 1gmi n LYS 59 Cb 0.52 -3.51 -0.07 0.00 -0.02 0.00 0.00 35.03 31.95 1gmi n LYS 59 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1gmi s THR 60 N -3.18 -0.00 -1.61 -0.18 -1.32 0.52 -4.83 115.64 105.05 1gmi s THR 60 Ca 0.19 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.85 1gmi s THR 60 Cb -0.08 -1.00 0.52 0.00 -1.51 0.00 0.00 72.50 70.43 1gmi s THR 60 CO 0.87 0.00 1.43 0.59 -2.21 0.00 0.00 174.62 175.30 1gmi n ASN 61 N 2.95 3.58 -3.16 8.08 3.02 -1.26 -4.00 115.26 124.47 1gmi n ASN 61 Ca -0.15 -2.00 -0.18 0.00 -0.03 0.00 0.00 54.58 52.23 1gmi n ASN 61 Cb 0.56 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 39.31 1gmi n ASN 61 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1gmi n SER 62 N 1.24 0.90 -4.76 6.41 7.64 -1.26 -1.21 113.62 122.58 1gmi n SER 62 Ca 0.20 -3.00 -0.37 0.00 1.01 0.00 0.00 58.87 56.71 1gmi n SER 62 Cb 0.55 -0.61 0.01 0.00 -1.01 0.00 0.00 64.21 63.14 1gmi n SER 62 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1gmi s PRO 63 N -2.48 3.49 -0.26 1.43 0.04 -1.18 -4.75 135.00 131.29 1gmi s PRO 63 Ca 0.39 1.87 0.03 0.00 0.04 0.00 0.00 61.00 63.33 1gmi s PRO 63 Cb 0.35 -2.28 0.06 0.00 0.04 0.00 0.00 34.50 32.68 1gmi s PRO 63 CO -0.07 -0.80 -0.08 0.00 0.04 0.00 0.00 177.00 176.09 1gmi s ALA 64 N -1.52 2.48 -0.27 8.56 0.00 -1.26 -0.77 121.76 128.99 1gmi s ALA 64 Ca 0.68 -1.77 -0.15 0.00 0.00 0.00 0.00 51.96 50.72 1gmi s ALA 64 Cb -0.31 -1.60 -0.13 0.00 0.00 0.00 0.00 23.12 21.08 1gmi s ALA 64 CO 0.37 -1.25 -0.25 0.91 0.00 0.00 0.00 175.76 175.53 1gmi n TRP 65 N 4.46 0.19 -3.79 0.00 8.01 0.09 -4.98 117.44 121.42 1gmi n TRP 65 Ca -0.12 0.08 -0.25 0.00 -1.31 0.00 0.00 57.50 55.90 1gmi n TRP 65 Cb 0.42 -1.02 0.03 0.00 -2.01 0.00 0.00 31.31 28.73 1gmi n TRP 65 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 1gmi n HIS 66 N -4.27 -2.09 -3.98 -5.99 8.25 -0.41 -4.96 115.22 101.77 1gmi n HIS 66 Ca -0.51 0.87 -0.35 0.00 -0.26 0.00 0.00 57.72 57.47 1gmi n HIS 66 Cb 0.85 -4.22 -0.08 0.00 1.12 0.00 0.00 29.99 27.66 1gmi n HIS 66 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1gmi s ASP 67 N -3.91 5.85 -0.02 0.41 1.01 -0.97 -4.93 116.67 114.10 1gmi s ASP 67 Ca 0.28 0.21 0.02 0.00 0.71 0.00 0.00 52.55 53.77 1gmi s ASP 67 Cb -0.14 -1.94 -0.03 0.00 1.01 0.00 0.00 42.92 41.82 1gmi s ASP 67 CO 0.82 0.26 -0.05 -0.70 0.21 0.00 0.00 175.17 175.72 1gmi s GLU 68 N -0.16 2.69 -0.00 8.23 2.12 -1.26 -0.91 118.70 129.41 1gmi s GLU 68 Ca 0.08 -0.62 0.04 0.00 0.36 0.00 0.00 54.97 54.82 1gmi s GLU 68 Cb -0.12 -2.59 -0.01 0.00 0.26 0.00 0.00 34.13 31.68 1gmi s GLU 68 CO 0.01 0.63 -0.11 -0.06 -0.54 0.00 0.00 175.26 175.19 1gmi s PHE 69 N -0.95 1.01 -0.07 5.30 0.40 -0.00 -4.99 117.98 118.67 1gmi s PHE 69 Ca 0.16 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.31 1gmi s PHE 69 Cb -0.11 -0.64 0.01 0.00 0.51 0.00 0.00 43.02 42.79 1gmi s PHE 69 CO 0.06 -0.01 -0.12 0.08 0.70 0.00 0.00 175.22 175.92 1gmi s VAL 70 N -0.33 1.14 -0.04 -0.44 1.01 -1.26 -0.76 120.40 119.73 1gmi s VAL 70 Ca 0.04 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 1gmi s VAL 70 Cb -0.05 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.31 1gmi s VAL 70 CO -0.00 0.36 0.27 0.28 0.00 0.00 0.00 175.10 176.01 1gmi s THR 71 N 0.69 0.05 -0.05 3.92 -1.32 -0.16 -4.99 115.64 113.78 1gmi s THR 71 Ca -0.14 -0.39 -0.28 0.00 -1.21 0.00 0.00 61.69 59.67 1gmi s THR 71 Cb -0.16 -0.53 -0.03 0.00 -1.51 0.00 0.00 72.50 70.28 1gmi s THR 71 CO 0.03 -0.22 0.90 -0.62 -2.21 0.00 0.00 174.62 172.51 1gmi s ASP 72 N -0.95 7.22 -0.16 8.08 -1.08 -1.26 -0.84 116.67 127.68 1gmi s ASP 72 Ca -0.10 1.47 -0.03 0.00 -0.52 0.00 0.00 52.55 53.37 1gmi s ASP 72 Cb -0.05 -2.52 -0.02 0.00 -1.46 0.00 0.00 42.92 38.87 1gmi s ASP 72 CO 0.03 -0.26 -0.06 -0.69 0.52 0.00 0.00 175.17 174.70 1gmi s VAL 73 N 1.21 3.60 -0.20 1.11 1.01 0.17 -4.95 120.40 122.35 1gmi s VAL 73 Ca 0.46 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1gmi s VAL 73 Cb -0.19 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.64 1gmi s VAL 73 CO 0.23 0.49 -0.17 0.00 0.00 0.00 0.00 175.10 175.64 1gmi n ASN 75 N 4.61 -1.18 -4.73 0.00 5.03 -1.12 -4.90 115.26 112.97 1gmi n ASN 75 Ca -0.20 -0.94 -0.41 0.00 0.87 0.00 0.00 54.58 53.90 1gmi n ASN 75 Cb 0.49 -3.44 -0.05 0.00 -1.02 0.00 0.00 39.78 35.76 1gmi n ASN 75 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1gmi s GLY 76 N -4.26 3.00 -0.22 7.41 0.00 -0.37 -4.80 107.32 108.07 1gmi s GLY 76 Ca 0.06 0.62 -0.10 0.00 0.00 0.00 0.00 44.72 45.30 1gmi s GLY 76 CO 0.86 1.45 -0.27 0.54 0.00 0.00 0.00 173.10 175.67 1gmi n ARG 77 N 2.51 0.47 -3.71 2.90 3.00 -1.26 -1.19 116.66 119.38 1gmi n ARG 77 Ca 0.02 0.20 -0.10 0.00 -0.01 0.00 0.00 57.85 57.95 1gmi n ARG 77 Cb 0.48 -1.30 -0.04 0.00 0.00 0.00 0.00 32.46 31.60 1gmi n ARG 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1gmi s LYS 78 N -2.40 1.27 -0.08 5.56 0.00 -1.26 -1.66 119.74 121.16 1gmi s LYS 78 Ca -0.30 -0.83 0.02 0.00 0.00 0.00 0.00 55.97 54.86 1gmi s LYS 78 Cb 0.11 0.50 -0.02 0.00 0.00 0.00 0.00 37.83 38.42 1gmi s LYS 78 CO 0.40 -0.52 -0.13 0.42 0.00 0.00 0.00 175.35 175.51 1gmi s ILE 79 N -3.86 3.12 -0.05 3.79 1.01 0.71 -0.73 121.20 125.19 1gmi s ILE 79 Ca 0.08 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.09 1gmi s ILE 79 Cb 0.00 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 1gmi s ILE 79 CO -0.06 0.57 -0.20 -0.70 0.00 0.00 0.00 174.94 174.56 1gmi s GLU 80 N -0.37 2.00 -0.19 2.79 2.12 0.43 -0.27 118.70 125.22 1gmi s GLU 80 Ca 0.04 -0.70 -0.01 0.00 0.36 0.00 0.00 54.97 54.66 1gmi s GLU 80 Cb -0.12 -1.73 0.00 0.00 0.26 0.00 0.00 34.13 32.54 1gmi s GLU 80 CO 0.02 0.29 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.39 1gmi s LEU 81 N -0.03 2.52 -0.14 2.70 1.43 -0.28 -1.44 118.68 123.44 1gmi s LEU 81 Ca -0.04 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 1gmi s LEU 81 Cb -0.12 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.51 1gmi s LEU 81 CO 0.03 0.02 -0.19 0.00 0.23 0.00 0.00 176.35 176.43 1gmi s ALA 82 N 1.21 2.08 -0.01 4.21 0.00 -0.53 -1.47 121.76 127.25 1gmi s ALA 82 Ca 0.02 -1.01 -0.22 0.00 0.00 0.00 0.00 51.96 50.75 1gmi s ALA 82 Cb -0.14 -0.99 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 1gmi s ALA 82 CO -0.06 -0.14 0.65 0.08 0.00 0.00 0.00 175.76 176.30 1gmi s VAL 83 N 1.02 4.90 0.14 0.00 1.01 0.15 -0.32 120.40 127.30 1gmi s VAL 83 Ca -0.03 1.37 0.06 0.00 0.00 0.00 0.00 61.98 63.38 1gmi s VAL 83 Cb -0.15 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1gmi s VAL 83 CO -0.05 0.37 -0.14 -0.36 0.00 0.00 0.00 175.10 174.92 1gmi s PHE 84 N 0.07 1.48 -0.25 5.22 0.40 -0.26 -0.65 117.98 123.98 1gmi s PHE 84 Ca 0.34 -0.56 -0.10 0.00 -0.60 0.00 0.00 56.93 56.00 1gmi s PHE 84 Cb -0.19 -0.76 -0.05 0.00 0.51 0.00 0.00 43.02 42.54 1gmi s PHE 84 CO 0.19 0.19 0.16 -1.58 0.70 0.00 0.00 175.22 174.87 1gmi s HIS 85 N -2.29 3.27 -0.66 0.36 5.65 0.41 -2.04 115.29 119.99 1gmi s HIS 85 Ca 0.12 0.16 -0.27 0.00 0.25 0.00 0.00 55.06 55.32 1gmi s HIS 85 Cb -0.04 -2.30 -0.01 0.00 -1.18 0.00 0.00 32.58 29.06 1gmi s HIS 85 CO 0.04 -0.03 1.68 0.34 -0.65 0.00 0.00 174.74 176.12 1gmi s ASP 86 N 1.30 5.54 0.28 9.88 -1.08 0.64 -1.92 116.67 131.32 1gmi s ASP 86 Ca 0.07 0.07 -0.28 0.00 -0.52 0.00 0.00 52.55 51.89 1gmi s ASP 86 Cb -0.14 -2.54 -0.09 0.00 -1.46 0.00 0.00 42.92 38.68 1gmi s ASP 86 CO 0.07 -2.22 0.97 0.00 0.52 0.00 0.00 175.17 174.50 1gmi s ALA 87 N 8.06 3.29 0.29 3.66 0.00 -1.26 -4.85 121.76 130.95 1gmi s ALA 87 Ca 0.57 0.62 -0.00 0.00 0.00 0.00 0.00 51.96 53.16 1gmi s ALA 87 Cb -0.11 -3.22 0.43 0.00 0.00 0.00 0.00 23.12 20.22 1gmi s ALA 87 CO 0.18 0.13 1.82 -1.35 0.00 0.00 0.00 175.76 176.54 1gmi h PRO 88 N 3.68 0.75 -4.04 0.00 0.11 -1.95 -3.43 132.00 127.13 1gmi h PRO 88 Ca -0.46 -0.17 -0.37 0.00 0.11 0.00 0.00 66.00 65.12 1gmi h PRO 88 Cb 1.20 -0.11 -0.32 0.00 0.11 0.00 0.00 31.00 31.88 1gmi h PRO 88 CO 0.66 0.71 -0.76 0.42 -0.21 0.00 0.00 178.00 178.83 1gmi s ILE 89 N -5.10 0.40 0.00 4.15 1.01 -1.26 -5.10 121.20 115.30 1gmi s ILE 89 Ca -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.46 1gmi s ILE 89 Cb 0.15 -0.42 0.00 0.00 0.01 0.00 0.00 42.46 42.20 1gmi s ILE 89 CO 0.79 0.17 0.00 0.61 0.00 0.00 0.00 174.94 176.51 1gmi n GLY 90 N 3.72 -1.93 3.77 6.18 0.00 -1.26 -4.92 105.19 110.73 1gmi n GLY 90 Ca -0.22 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 43.76 1gmi n GLY 90 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gmi s TYR 91 N 0.00 2.90 0.68 1.61 4.12 -1.26 -4.78 117.35 120.62 1gmi s TYR 91 Ca 0.00 1.45 -0.13 0.00 0.02 0.00 0.00 57.07 58.40 1gmi s TYR 91 Cb 0.00 -3.60 0.01 0.00 -1.52 0.00 0.00 41.96 36.85 1gmi s TYR 91 CO 0.00 -1.87 1.09 -0.51 0.02 0.00 0.00 175.55 174.28 1gmi s ASP 92 N -0.81 5.09 -0.12 2.29 1.01 -1.26 -4.72 116.67 118.15 1gmi s ASP 92 Ca 0.56 1.88 -0.19 0.00 0.71 0.00 0.00 52.55 55.52 1gmi s ASP 92 Cb -0.36 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 40.99 1gmi s ASP 92 CO 0.47 -1.64 0.50 -1.81 0.21 0.00 0.00 175.17 172.89 1gmi s ASP 93 N -2.95 6.70 0.24 0.27 1.01 -0.81 -4.89 116.67 116.24 1gmi s ASP 93 Ca 0.64 0.83 -0.30 0.00 0.71 0.00 0.00 52.55 54.44 1gmi s ASP 93 Cb -0.18 -2.30 -0.09 0.00 1.01 0.00 0.00 42.92 41.36 1gmi s ASP 93 CO 0.46 -0.02 1.27 0.12 0.21 0.00 0.00 175.17 177.21 1gmi s PHE 94 N 0.70 3.25 -0.06 4.23 5.36 -1.26 -0.44 117.98 129.76 1gmi s PHE 94 Ca 0.27 1.35 -0.06 0.00 -0.96 0.00 0.00 56.93 57.52 1gmi s PHE 94 Cb -0.15 -3.57 -0.03 0.00 -0.34 0.00 0.00 43.02 38.92 1gmi s PHE 94 CO 0.11 -1.66 -0.13 0.28 -1.46 0.00 0.00 175.22 172.35 1gmi n VAL 95 N 1.95 0.92 -3.67 3.12 0.31 0.17 -4.84 118.33 116.28 1gmi n VAL 95 Ca 0.03 0.06 -0.04 0.00 -0.01 0.00 0.00 64.34 64.39 1gmi n VAL 95 Cb 0.43 -1.75 -0.01 0.00 -0.91 0.00 0.00 33.84 31.60 1gmi n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gmi s ALA 96 N -2.26 -1.77 0.30 3.52 0.00 -1.16 -4.52 121.76 115.89 1gmi s ALA 96 Ca -0.13 0.45 -0.15 0.00 0.00 0.00 0.00 51.96 52.13 1gmi s ALA 96 Cb 0.04 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.71 1gmi s ALA 96 CO 0.17 -0.94 0.63 0.54 0.00 0.00 0.00 175.76 176.16 1gmi s ASN 97 N -2.81 0.01 -0.00 0.00 4.22 -0.14 0.35 114.94 116.57 1gmi s ASN 97 Ca 0.10 -0.96 -0.20 0.00 -2.14 0.00 0.00 52.86 49.67 1gmi s ASN 97 Cb -0.01 0.71 0.04 0.00 1.28 0.00 0.00 41.25 43.27 1gmi s ASN 97 CO -0.01 -1.36 0.44 0.00 -2.04 0.00 0.00 177.10 174.13 1gmi s THR 99 N -1.65 1.45 -0.13 0.00 2.01 -1.26 -1.12 115.64 114.93 1gmi s THR 99 Ca -0.10 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.13 1gmi s THR 99 Cb -0.02 -1.22 0.02 0.00 0.01 0.00 0.00 72.50 71.29 1gmi s THR 99 CO 0.04 0.41 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.63 1gmi s ILE 100 N -0.32 1.35 0.15 1.82 1.09 0.63 -4.98 121.20 120.95 1gmi s ILE 100 Ca 0.04 -0.49 -0.29 0.00 -1.10 0.00 0.00 60.65 58.81 1gmi s ILE 100 Cb -0.08 -1.29 -0.07 0.00 -1.06 0.00 0.00 42.46 39.95 1gmi s ILE 100 CO 0.00 0.42 0.92 -1.10 -0.10 0.00 0.00 174.94 175.08 1gmi s GLN 101 N 1.53 4.73 0.56 2.79 -1.52 -1.26 -0.21 119.66 126.28 1gmi s GLN 101 Ca 0.04 1.41 0.28 0.00 -1.95 0.00 0.00 55.36 55.13 1gmi s GLN 101 Cb -0.13 -3.33 1.67 0.00 -0.22 0.00 0.00 33.01 31.00 1gmi s GLN 101 CO -0.09 0.36 2.20 0.74 -0.25 0.00 0.00 175.29 178.25 1gmi h PHE 102 N 4.98 0.00 -0.85 0.91 -1.00 -1.63 -1.48 116.94 117.86 1gmi h PHE 102 Ca -0.44 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.33 1gmi h PHE 102 Cb 1.21 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.72 1gmi h PHE 102 CO 0.63 0.03 0.50 1.49 -1.61 0.00 0.00 178.31 179.36 1gmi h GLU 103 N 0.00 1.17 0.00 1.51 4.81 -1.78 -0.33 114.58 119.95 1gmi h GLU 103 Ca -0.00 -0.11 -0.13 0.00 -0.13 0.00 0.00 59.36 58.99 1gmi h GLU 103 Cb 0.09 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1gmi h GLU 103 CO 0.00 0.83 -0.60 1.05 -0.73 0.00 0.00 179.01 179.56 1gmi h GLU 104 N 1.18 0.00 0.00 1.92 4.11 -1.67 -3.13 114.58 116.99 1gmi h GLU 104 Ca 0.31 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.61 1gmi h GLU 104 Cb -0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1gmi h GLU 104 CO -0.05 0.60 -0.62 -0.07 0.07 0.00 0.00 179.01 178.94 1gmi h LEU 105 N 0.00 0.00 -0.67 3.06 3.38 -1.18 -3.17 115.31 116.74 1gmi h LEU 105 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1gmi h LEU 105 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1gmi h LEU 105 CO 0.08 0.62 0.00 0.18 0.09 0.00 0.00 178.44 179.41 1gmi n LEU 106 N -3.53 1.03 -4.69 1.67 4.77 -0.20 -4.20 117.00 111.86 1gmi n LEU 106 Ca -0.00 -0.36 -0.44 0.00 -0.03 0.00 0.00 56.01 55.17 1gmi n LEU 106 Cb 0.68 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.73 1gmi n LEU 106 CO 0.41 0.18 1.13 0.00 -1.33 0.00 0.00 177.39 177.79 1gmi n GLN 107 N -0.18 2.23 0.00 3.23 1.13 -1.20 -4.53 117.38 118.06 1gmi n GLN 107 Ca 0.20 0.80 0.00 0.00 -1.94 0.00 0.00 57.00 56.05 1gmi n GLN 107 Cb 0.27 -2.52 0.00 0.00 0.11 0.00 0.00 30.24 28.10 1gmi n GLN 107 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1gmi n ASN 108 N 2.65 0.00 0.00 1.08 4.13 -1.26 -1.90 115.26 119.96 1gmi n ASN 108 Ca 0.13 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.39 1gmi n ASN 108 Cb 0.32 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.56 1gmi n ASN 108 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1gmi n GLY 109 N 0.00 2.02 6.30 7.41 0.00 -1.26 -5.01 105.19 114.64 1gmi n GLY 109 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1gmi n GLY 109 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gmi n SER 110 N 3.86 0.00 0.00 1.61 3.41 -0.80 -4.74 113.62 116.96 1gmi n SER 110 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1gmi n SER 110 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1gmi n SER 110 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1gmi n ARG 111 N 0.00 0.00 -3.63 4.33 5.12 -1.26 -4.85 116.66 116.37 1gmi n ARG 111 Ca 0.00 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.74 1gmi n ARG 111 Cb 0.00 -0.72 -0.15 0.00 -1.16 0.00 0.00 32.46 30.43 1gmi n ARG 111 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1gmi s HIS 112 N -0.01 -0.16 -0.02 -1.55 2.46 -1.26 -0.76 115.29 113.99 1gmi s HIS 112 Ca 0.00 0.47 0.05 0.00 0.47 0.00 0.00 55.06 56.05 1gmi s HIS 112 Cb 0.00 -0.31 -0.01 0.00 -0.13 0.00 0.00 32.58 32.13 1gmi s HIS 112 CO 0.00 -0.35 -0.17 0.12 -2.47 0.00 0.00 174.74 171.88 1gmi s PHE 113 N 2.29 1.51 -0.23 3.88 5.36 0.20 -4.99 117.98 126.00 1gmi s PHE 113 Ca 0.04 -0.30 -0.07 0.00 -0.96 0.00 0.00 56.93 55.63 1gmi s PHE 113 Cb -0.13 -0.98 0.11 0.00 -0.34 0.00 0.00 43.02 41.68 1gmi s PHE 113 CO -0.07 -0.04 0.48 -2.00 -1.46 0.00 0.00 175.22 172.13 1gmi s GLU 114 N -0.34 0.40 0.00 10.12 2.12 -1.26 0.11 118.70 129.84 1gmi s GLU 114 Ca 0.05 1.11 0.00 0.00 0.36 0.00 0.00 54.97 56.50 1gmi s GLU 114 Cb -0.07 0.43 0.00 0.00 0.26 0.00 0.00 34.13 34.75 1gmi s GLU 114 CO -0.00 -0.28 0.00 -3.47 -0.54 0.00 0.00 175.26 170.97 1gmi n ASP 115 N 5.41 0.00 -4.78 -1.70 -0.08 -0.89 -5.02 116.55 109.49 1gmi n ASP 115 Ca -0.09 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.80 1gmi n ASP 115 Cb 0.49 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.90 1gmi n ASP 115 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1gmi s TRP 116 N -2.00 3.81 -0.11 -0.67 0.52 -1.26 -1.87 118.94 117.36 1gmi s TRP 116 Ca 0.00 1.43 0.04 0.00 0.02 0.00 0.00 56.10 57.59 1gmi s TRP 116 Cb 0.00 -2.68 0.00 0.00 -1.15 0.00 0.00 33.47 29.64 1gmi s TRP 116 CO 0.00 0.46 -0.24 0.42 0.02 0.00 0.00 176.95 177.61 1gmi s ILE 117 N -0.74 2.06 0.26 2.03 1.01 0.78 -4.94 121.20 121.66 1gmi s ILE 117 Ca 0.34 -1.01 -0.30 0.00 0.00 0.00 0.00 60.65 59.68 1gmi s ILE 117 Cb -0.21 -1.78 -0.10 0.00 0.01 0.00 0.00 42.46 40.38 1gmi s ILE 117 CO 0.22 0.56 1.31 -1.81 0.00 0.00 0.00 174.94 175.22 1gmi s ASP 118 N 0.41 6.86 0.08 3.58 1.01 -1.26 -1.11 116.67 126.23 1gmi s ASP 118 Ca -0.17 2.52 0.01 0.00 0.71 0.00 0.00 52.55 55.62 1gmi s ASP 118 Cb -0.18 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.09 1gmi s ASP 118 CO 0.07 -0.52 0.21 -0.76 0.21 0.00 0.00 175.17 174.38 1gmi s LEU 119 N -0.84 4.29 -0.10 1.23 1.43 0.20 -4.67 118.68 120.22 1gmi s LEU 119 Ca 0.53 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 1gmi s LEU 119 Cb -0.38 -2.89 -0.02 0.00 0.03 0.00 0.00 46.19 42.93 1gmi s LEU 119 CO 0.44 0.15 -0.12 -1.61 0.23 0.00 0.00 176.35 175.44 1gmi s GLU 120 N -2.61 3.04 0.21 1.70 0.41 0.39 -3.18 118.70 118.65 1gmi s GLU 120 Ca 0.34 -0.67 0.04 0.00 -0.41 0.00 0.00 54.97 54.27 1gmi s GLU 120 Cb -0.13 -2.55 0.14 0.00 -1.78 0.00 0.00 34.13 29.82 1gmi s GLU 120 CO 0.27 0.40 1.49 -1.35 -0.49 0.00 0.00 175.26 175.58 1gmi h PRO 121 N 6.10 0.22 -4.17 0.39 0.11 -1.87 -0.36 132.00 132.42 1gmi h PRO 121 Ca -0.35 -0.19 -0.13 0.00 0.11 0.00 0.00 66.00 65.44 1gmi h PRO 121 Cb 1.19 0.04 -0.14 0.00 0.11 0.00 0.00 31.00 32.19 1gmi h PRO 121 CO 0.54 0.84 -0.56 -1.21 -0.21 0.00 0.00 178.00 177.40 1gmi s GLU 122 N -3.54 0.84 0.00 1.05 2.02 -1.19 -5.14 118.70 112.75 1gmi s GLU 122 Ca -0.04 -1.24 0.00 0.00 0.02 0.00 0.00 54.97 53.71 1gmi s GLU 122 Cb 0.11 0.27 0.00 0.00 0.10 0.00 0.00 34.13 34.61 1gmi s GLU 122 CO 0.81 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 176.26 1gmi n GLY 123 N -0.04 0.32 3.30 -1.39 0.00 -1.20 -4.57 105.19 101.60 1gmi n GLY 123 Ca -0.10 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 43.81 1gmi n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gmi s LYS 124 N -1.34 0.84 -0.02 1.61 -2.85 -0.93 -0.63 119.74 116.43 1gmi s LYS 124 Ca 0.00 -0.33 0.04 0.00 -1.00 0.00 0.00 55.97 54.69 1gmi s LYS 124 Cb 0.00 0.37 -0.01 0.00 -2.06 0.00 0.00 37.83 36.14 1gmi s LYS 124 CO 0.00 -0.27 -0.15 0.54 0.10 0.00 0.00 175.35 175.57 1gmi s VAL 125 N -2.17 1.18 -0.24 1.79 0.11 -0.27 -1.41 120.40 119.40 1gmi s VAL 125 Ca -0.07 -0.62 -0.13 0.00 -2.93 0.00 0.00 61.98 58.23 1gmi s VAL 125 Cb -0.02 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1gmi s VAL 125 CO -0.00 0.34 0.27 -0.47 -3.33 0.00 0.00 175.10 171.90 1gmi s TYR 126 N -0.18 3.31 0.12 1.54 5.04 0.23 -0.16 117.35 127.25 1gmi s TYR 126 Ca 0.02 0.36 0.05 0.00 -2.44 0.00 0.00 57.07 55.06 1gmi s TYR 126 Cb -0.07 -2.41 -0.04 0.00 0.35 0.00 0.00 41.96 39.79 1gmi s TYR 126 CO 0.00 -0.03 -0.11 0.14 -1.34 0.00 0.00 175.55 174.21 1gmi s VAL 127 N 1.36 1.13 -0.17 3.14 -7.23 -0.78 -1.69 120.40 116.16 1gmi s VAL 127 Ca 0.12 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 1gmi s VAL 127 Cb -0.14 -1.58 0.03 0.00 0.56 0.00 0.00 36.38 35.25 1gmi s VAL 127 CO 0.07 -0.59 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.52 1gmi s ILE 128 N -2.67 1.57 -0.08 -0.62 1.01 -0.60 -2.10 121.20 117.70 1gmi s ILE 128 Ca 0.10 -0.79 0.05 0.00 0.00 0.00 0.00 60.65 60.01 1gmi s ILE 128 Cb -0.02 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1gmi s ILE 128 CO 0.01 0.32 -0.23 -0.63 0.00 0.00 0.00 174.94 174.40 1gmi s ILE 129 N 1.46 2.15 -0.03 2.92 1.01 0.30 -0.74 121.20 128.27 1gmi s ILE 129 Ca 0.02 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 59.70 1gmi s ILE 129 Cb -0.14 -1.81 -0.00 0.00 0.01 0.00 0.00 42.46 40.52 1gmi s ILE 129 CO -0.09 0.56 -0.13 -1.81 0.00 0.00 0.00 174.94 173.47 1gmi s ASP 130 N 0.11 1.66 -0.03 3.58 1.01 0.13 0.61 116.67 123.75 1gmi s ASP 130 Ca -0.12 -0.26 0.07 0.00 0.71 0.00 0.00 52.55 52.95 1gmi s ASP 130 Cb -0.16 -0.40 -0.02 0.00 1.01 0.00 0.00 42.92 43.35 1gmi s ASP 130 CO 0.06 0.12 -0.23 -0.76 0.21 0.00 0.00 175.17 174.57 1gmi s LEU 131 N 0.04 2.04 -0.36 1.23 1.43 0.06 -1.25 118.68 121.87 1gmi s LEU 131 Ca -0.02 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1gmi s LEU 131 Cb -0.09 -1.22 0.13 0.00 0.03 0.00 0.00 46.19 45.04 1gmi s LEU 131 CO 0.01 0.27 0.20 -0.55 0.23 0.00 0.00 176.35 176.52 1gmi s SER 132 N -0.46 3.25 0.00 2.29 0.15 -0.48 -4.52 113.70 113.93 1gmi s SER 132 Ca 0.06 -2.18 0.00 0.00 0.70 0.00 0.00 55.95 54.54 1gmi s SER 132 Cb -0.10 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 1gmi s SER 132 CO -0.00 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.73 1gmi n GLY 133 N 4.08 1.07 3.24 9.45 0.00 -1.26 -0.96 105.19 120.81 1gmi n GLY 133 Ca 0.09 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 1gmi n GLY 133 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gmi s SER 134 N 2.00 -0.04 0.51 1.61 1.04 -0.42 -4.98 113.70 113.43 1gmi s SER 134 Ca 0.00 -0.42 -0.01 0.00 0.48 0.00 0.00 55.95 56.00 1gmi s SER 134 Cb 0.00 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.50 1gmi s SER 134 CO 0.00 -0.71 0.76 -0.94 0.98 0.00 0.00 173.24 173.33 1gmi s SER 135 N -2.56 5.62 0.00 7.02 1.04 -1.26 -1.34 113.70 122.23 1gmi s SER 135 Ca 0.01 0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.77 1gmi s SER 135 Cb 0.02 -1.42 0.00 0.00 0.10 0.00 0.00 66.02 64.72 1gmi s SER 135 CO -0.08 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.83