#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gti s PRO 2 N 0.00 2.86 -0.01 0.52 0.04 -1.26 -3.70 135.00 133.46 1gti s PRO 2 Ca 0.00 1.05 -0.10 0.00 0.04 0.00 0.00 61.00 61.99 1gti s PRO 2 Cb 0.00 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 1gti s PRO 2 CO 0.00 -1.16 0.32 0.71 0.04 0.00 0.00 177.00 176.91 1gti s TYR 3 N -2.90 3.64 -0.09 0.56 2.02 -1.26 -2.24 117.35 117.07 1gti s TYR 3 Ca 0.60 0.75 -0.05 0.00 -0.37 0.00 0.00 57.07 58.00 1gti s TYR 3 Cb -0.15 -2.12 0.04 0.00 -0.40 0.00 0.00 41.96 39.33 1gti s TYR 3 CO 0.52 0.63 0.22 0.99 -1.57 0.00 0.00 175.55 176.34 1gti s THR 4 N -1.19 -0.04 -0.17 -0.71 2.01 -0.70 -1.00 115.64 113.84 1gti s THR 4 Ca 0.25 0.13 -0.00 0.00 0.31 0.00 0.00 61.69 62.38 1gti s THR 4 Cb -0.14 -0.34 0.00 0.00 0.01 0.00 0.00 72.50 72.03 1gti s THR 4 CO 0.13 0.05 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.34 1gti s ILE 5 N 1.06 2.58 -0.27 1.82 1.01 -0.63 -1.43 121.20 125.35 1gti s ILE 5 Ca -0.08 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.74 1gti s ILE 5 Cb -0.09 -2.10 0.01 0.00 0.01 0.00 0.00 42.46 40.28 1gti s ILE 5 CO -0.07 0.51 0.02 -0.69 0.00 0.00 0.00 174.94 174.71 1gti s VAL 6 N 1.10 3.59 0.31 2.92 1.01 -0.19 -0.97 120.40 128.16 1gti s VAL 6 Ca 0.00 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.08 1gti s VAL 6 Cb -0.14 -2.80 0.05 0.00 0.00 0.00 0.00 36.38 33.49 1gti s VAL 6 CO -0.05 0.19 0.83 -0.47 0.00 0.00 0.00 175.10 175.59 1gti s TYR 7 N 1.46 0.02 0.78 5.22 5.04 -1.12 -1.31 117.35 127.43 1gti s TYR 7 Ca 0.03 -0.58 -0.11 0.00 -2.44 0.00 0.00 57.07 53.97 1gti s TYR 7 Cb -0.16 0.77 0.06 0.00 0.35 0.00 0.00 41.96 42.98 1gti s TYR 7 CO -0.00 -1.34 1.08 -0.06 -1.34 0.00 0.00 175.55 173.89 1gti s PHE 8 N -2.74 2.75 0.00 4.97 0.08 -1.26 -1.76 117.98 120.02 1gti s PHE 8 Ca 0.15 1.37 -0.00 0.00 0.12 0.00 0.00 56.93 58.56 1gti s PHE 8 Cb -0.05 -3.03 -0.02 0.00 -0.57 0.00 0.00 43.02 39.35 1gti s PHE 8 CO 0.09 -1.73 1.36 -0.35 -0.10 0.00 0.00 175.22 174.48 1gti n PRO 9 N -3.45 0.68 -4.27 0.24 -0.04 -1.26 -4.78 135.00 122.12 1gti n PRO 9 Ca 0.08 -0.06 -0.15 0.00 -0.04 0.00 0.00 63.50 63.33 1gti n PRO 9 Cb 0.54 -1.25 -0.10 0.00 -0.04 0.00 0.00 33.50 32.65 1gti n PRO 9 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1gti s VAL 10 N 0.85 0.82 0.00 0.52 -7.23 -1.26 -4.41 120.40 109.69 1gti s VAL 10 Ca 0.04 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1gti s VAL 10 Cb 0.02 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.78 1gti s VAL 10 CO 0.00 -0.44 0.44 0.54 -0.31 0.00 0.00 175.10 175.33 1gti n ARG 11 N -0.30 0.00 0.00 4.82 1.74 -0.35 -4.83 116.66 117.74 1gti n ARG 11 Ca -0.06 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1gti n ARG 11 Cb 0.63 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 30.95 1gti n ARG 11 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gti n GLY 12 N 0.63 2.48 1.39 -0.13 0.00 -0.38 -1.77 105.19 107.41 1gti n GLY 12 Ca 0.00 0.28 -0.07 0.00 0.00 0.00 0.00 46.02 46.22 1gti n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gti n ARG 13 N 14.00 1.61 0.00 1.61 1.74 -1.26 -3.93 116.66 130.42 1gti n ARG 13 Ca 0.00 -1.12 0.00 0.00 -0.77 0.00 0.00 57.85 55.96 1gti n ARG 13 Cb 0.00 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 1gti n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gti h GLU 15 N 0.00 0.00 0.01 0.00 4.57 -1.67 -2.22 114.58 115.27 1gti h GLU 15 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1gti h GLU 15 Cb 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1gti h GLU 15 CO 0.00 0.26 -0.01 0.00 -1.18 0.00 0.00 179.01 178.09 1gti h ALA 16 N 1.74 -0.02 0.00 2.92 0.00 -1.87 -2.33 119.26 119.70 1gti h ALA 16 Ca -0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1gti h ALA 16 Cb 0.87 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1gti h ALA 16 CO 0.03 -0.23 -0.27 0.00 0.00 0.00 0.00 179.25 178.79 1gti h MET 17 N -0.58 0.00 0.00 0.00 -0.00 -1.88 -1.89 114.93 110.57 1gti h MET 17 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.59 1gti h MET 17 Cb 0.56 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.14 1gti h MET 17 CO 0.00 0.27 -0.52 0.00 -0.00 0.00 0.00 176.91 176.66 1gti h ARG 18 N 0.00 0.00 0.06 -0.10 3.08 -1.36 -2.16 114.38 113.89 1gti h ARG 18 Ca -0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 1gti h ARG 18 Cb 0.59 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.66 1gti h ARG 18 CO 0.03 0.52 -1.10 0.52 -1.07 0.00 0.00 179.97 178.87 1gti h MET 19 N 0.00 0.55 0.25 0.04 2.86 -0.81 -2.80 114.93 115.02 1gti h MET 19 Ca -0.01 -0.66 -0.01 0.00 -2.06 0.00 0.00 59.70 56.96 1gti h MET 19 Cb 1.04 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.91 1gti h MET 19 CO 0.07 1.27 -0.12 1.25 1.06 0.00 0.00 176.91 180.44 1gti h LEU 20 N 0.27 -0.28 -0.93 1.22 6.46 -1.23 0.13 115.31 120.95 1gti h LEU 20 Ca -0.14 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.56 1gti h LEU 20 Cb 1.77 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 41.73 1gti h LEU 20 CO 0.20 -0.13 0.50 -0.07 -0.62 0.00 0.00 178.44 178.32 1gti h LEU 21 N -0.42 1.12 -0.95 2.25 3.38 -1.51 -1.92 115.31 117.27 1gti h LEU 21 Ca -0.03 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1gti h LEU 21 Cb 0.32 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1gti h LEU 21 CO 0.06 0.90 -0.31 0.00 0.09 0.00 0.00 178.44 179.17 1gti h ALA 22 N 1.29 1.11 0.00 1.53 0.00 -1.28 0.48 119.26 122.39 1gti h ALA 22 Ca 0.32 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1gti h ALA 22 Cb 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1gti h ALA 22 CO -0.05 0.56 -0.67 0.22 0.00 0.00 0.00 179.25 179.31 1gti h ASP 23 N 0.34 0.00 -0.61 0.00 3.58 -0.62 -3.16 116.42 115.94 1gti h ASP 23 Ca 0.04 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.24 1gti h ASP 23 Cb 0.72 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 41.61 1gti h ASP 23 CO 0.05 0.67 0.32 0.00 -2.88 0.00 0.00 179.24 177.40 1gti n GLN 24 N -3.49 2.44 -0.97 0.28 1.13 -0.75 -4.89 117.38 111.13 1gti n GLN 24 Ca -0.00 -2.15 -0.02 0.00 -1.94 0.00 0.00 57.00 52.89 1gti n GLN 24 Cb 0.72 -1.89 -0.01 0.00 0.11 0.00 0.00 30.24 29.16 1gti n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1gti n GLY 25 N -0.33 0.24 3.88 1.08 0.00 -1.19 -4.95 105.19 103.92 1gti n GLY 25 Ca 0.35 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 1gti n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gti s GLN 26 N -2.01 3.22 0.00 1.61 -1.52 0.14 -5.02 119.66 116.09 1gti s GLN 26 Ca 0.00 0.50 0.03 0.00 -1.95 0.00 0.00 55.36 53.94 1gti s GLN 26 Cb 0.00 -2.11 -0.01 0.00 -0.22 0.00 0.00 33.01 30.68 1gti s GLN 26 CO 0.00 -0.74 -0.09 -1.54 -0.25 0.00 0.00 175.29 172.67 1gti s SER 27 N -4.26 1.06 0.31 5.90 1.04 -1.26 -4.32 113.70 112.17 1gti s SER 27 Ca 0.55 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.81 1gti s SER 27 Cb -0.11 -0.10 -0.06 0.00 0.10 0.00 0.00 66.02 65.85 1gti s SER 27 CO 0.51 0.08 0.08 -1.66 0.98 0.00 0.00 173.24 173.24 1gti s TRP 28 N -0.33 1.78 -0.22 5.02 -2.14 -1.26 -4.34 118.94 117.45 1gti s TRP 28 Ca 0.02 -1.08 -0.05 0.00 2.66 0.00 0.00 56.10 57.65 1gti s TRP 28 Cb -0.04 -1.12 -0.02 0.00 -3.10 0.00 0.00 33.47 29.19 1gti s TRP 28 CO -0.00 -0.16 0.01 0.21 -2.66 0.00 0.00 176.95 174.34 1gti s LYS 29 N -3.93 3.55 -0.18 3.25 2.20 -0.17 -4.99 119.74 119.47 1gti s LYS 29 Ca 0.36 -0.54 -0.21 0.00 -0.36 0.00 0.00 55.97 55.22 1gti s LYS 29 Cb 0.08 -3.12 -0.03 0.00 -1.51 0.00 0.00 37.83 33.25 1gti s LYS 29 CO 0.15 -0.11 0.62 -2.00 -0.36 0.00 0.00 175.35 173.65 1gti s GLU 30 N 1.33 4.24 -0.33 4.03 2.56 -1.26 -1.60 118.70 127.66 1gti s GLU 30 Ca 0.04 0.62 0.03 0.00 0.00 0.00 0.00 54.97 55.67 1gti s GLU 30 Cb -0.15 -3.56 0.10 0.00 2.00 0.00 0.00 34.13 32.52 1gti s GLU 30 CO 0.01 -0.19 0.05 -2.00 -0.56 0.00 0.00 175.26 172.57 1gti s GLU 31 N 1.74 1.39 0.25 4.30 2.12 -0.15 -4.97 118.70 123.38 1gti s GLU 31 Ca 0.29 -1.74 -0.30 0.00 0.36 0.00 0.00 54.97 53.58 1gti s GLU 31 Cb -0.16 -3.02 -0.09 0.00 0.26 0.00 0.00 34.13 31.12 1gti s GLU 31 CO 0.11 -0.94 0.98 0.08 -0.54 0.00 0.00 175.26 174.95 1gti s VAL 32 N 1.01 3.93 -0.24 3.70 1.01 -1.26 -2.81 120.40 125.75 1gti s VAL 32 Ca 0.10 1.95 -0.01 0.00 0.00 0.00 0.00 61.98 64.02 1gti s VAL 32 Cb -0.19 -4.24 0.07 0.00 0.00 0.00 0.00 36.38 32.02 1gti s VAL 32 CO -0.10 0.46 0.01 -0.69 0.00 0.00 0.00 175.10 174.78 1gti s VAL 33 N -1.18 1.06 0.74 2.92 1.01 -0.72 -4.95 120.40 119.28 1gti s VAL 33 Ca 0.42 -1.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 1gti s VAL 33 Cb -0.27 -1.52 0.04 0.00 0.00 0.00 0.00 36.38 34.63 1gti s VAL 33 CO 0.34 -0.27 1.08 0.42 0.00 0.00 0.00 175.10 176.68 1gti s THR 34 N 1.59 3.54 0.45 3.92 -4.23 -1.26 -4.14 115.64 115.51 1gti s THR 34 Ca -0.01 0.52 0.13 0.00 -1.18 0.00 0.00 61.69 61.15 1gti s THR 34 Cb -0.18 -3.08 0.20 0.00 1.34 0.00 0.00 72.50 70.78 1gti s THR 34 CO -0.10 -0.64 2.01 0.40 -0.54 0.00 0.00 174.62 175.75 1gti h ILE 35 N -0.92 1.11 -0.47 2.99 2.04 -1.99 -0.48 117.51 119.79 1gti h ILE 35 Ca -0.44 -0.50 -0.09 0.00 1.00 0.00 0.00 64.86 64.83 1gti h ILE 35 Cb 1.23 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 1gti h ILE 35 CO 0.53 0.15 -0.07 0.44 0.00 0.00 0.00 178.15 179.21 1gti h ASP 36 N 0.08 0.86 0.16 1.72 5.19 -1.99 0.03 116.42 122.47 1gti h ASP 36 Ca 0.02 -0.34 -0.10 0.00 -0.62 0.00 0.00 57.03 55.99 1gti h ASP 36 Cb 0.24 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1gti h ASP 36 CO 0.02 1.00 -0.36 0.74 -3.12 0.00 0.00 179.24 177.52 1gti h THR 37 N 0.71 1.29 -0.23 0.35 2.02 -1.67 -2.51 112.91 112.87 1gti h THR 37 Ca 0.12 -1.41 -0.13 0.00 0.77 0.00 0.00 66.41 65.77 1gti h THR 37 Cb 0.60 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1gti h THR 37 CO 0.04 0.43 -0.38 -0.25 0.37 0.00 0.00 175.52 175.72 1gti h TRP 38 N 0.24 0.63 0.00 3.16 2.91 -0.70 -2.82 115.95 119.36 1gti h TRP 38 Ca 0.03 -0.17 0.00 0.00 1.13 0.00 0.00 58.89 59.87 1gti h TRP 38 Cb 0.75 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 29.27 1gti h TRP 38 CO 0.02 0.84 0.00 0.52 -1.03 0.00 0.00 178.44 178.78 1gti h MET 39 N 0.44 0.00 -7.10 2.65 2.86 -0.54 -3.44 114.93 109.80 1gti h MET 39 Ca 0.04 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 57.22 1gti h MET 39 Cb 0.87 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.54 1gti h MET 39 CO 0.07 0.00 0.37 -0.65 1.06 0.00 0.00 176.91 177.76 1gti s GLN 40 N -3.62 3.92 0.00 1.72 -0.21 -1.07 -4.96 119.66 115.45 1gti s GLN 40 Ca 0.01 1.19 0.13 0.00 0.02 0.00 0.00 55.36 56.71 1gti s GLN 40 Cb 0.09 -2.12 0.55 0.00 1.00 0.00 0.00 33.01 32.53 1gti s GLN 40 CO 0.42 -0.31 1.39 0.41 -2.12 0.00 0.00 175.29 175.08 1gti n GLY 41 N -0.68 -0.15 0.21 3.09 0.00 -1.26 -4.13 105.19 102.26 1gti n GLY 41 Ca 0.08 -0.26 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 1gti n GLY 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1gti h LEU 42 N 1.24 -0.38 -8.51 0.99 5.85 -1.93 -3.41 115.31 109.16 1gti h LEU 42 Ca 0.00 0.01 -0.55 0.00 0.84 0.00 0.00 57.88 58.18 1gti h LEU 42 Cb 0.28 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 1gti h LEU 42 CO 0.00 0.06 0.98 -0.22 -0.34 0.00 0.00 178.44 178.92 1gti s LEU 43 N -8.98 3.41 0.00 2.25 2.96 -1.26 -4.48 118.68 112.58 1gti s LEU 43 Ca -0.07 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 1gti s LEU 43 Cb 0.01 -2.97 0.00 0.00 0.50 0.00 0.00 46.19 43.73 1gti s LEU 43 CO 0.20 -1.57 0.00 1.17 -1.32 0.00 0.00 176.35 174.83 1gti n LYS 44 N 8.65 0.00 -0.34 1.98 4.81 -1.26 -4.96 118.16 127.04 1gti n LYS 44 Ca 0.06 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.52 1gti n LYS 44 Cb 0.49 -0.01 0.16 0.00 0.02 0.00 0.00 35.03 35.69 1gti n LYS 44 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1gti h PRO 45 N 0.00 1.05 -5.55 1.64 0.11 -1.92 -3.46 132.00 123.86 1gti h PRO 45 Ca 0.00 -0.06 -0.62 0.00 0.11 0.00 0.00 66.00 65.43 1gti h PRO 45 Cb 0.00 -0.24 -0.14 0.00 0.11 0.00 0.00 31.00 30.74 1gti h PRO 45 CO 0.00 0.69 0.67 0.99 -0.21 0.00 0.00 178.00 180.14 1gti s THR 46 N -6.05 4.26 0.01 -1.15 2.01 -1.26 -5.12 115.64 108.34 1gti s THR 46 Ca -0.13 -0.37 -0.01 0.00 0.31 0.00 0.00 61.69 61.50 1gti s THR 46 Cb 0.19 -4.74 -0.00 0.00 0.01 0.00 0.00 72.50 67.96 1gti s THR 46 CO 0.80 -1.53 -0.01 -0.11 -0.69 0.00 0.00 174.62 173.08 1gti n LEU 48 N 7.88 0.29 -0.29 4.42 7.94 -1.26 -5.04 117.00 130.95 1gti n LEU 48 Ca 0.00 0.04 0.13 0.00 -1.11 0.00 0.00 56.01 55.07 1gti n LEU 48 Cb 0.46 -0.16 0.38 0.00 0.53 0.00 0.00 43.42 44.63 1gti n LEU 48 CO 0.64 -0.54 0.66 -1.22 -1.11 0.00 0.00 177.39 175.82 1gti n TYR 49 N -2.77 0.00 -0.60 1.96 4.01 -1.26 -4.94 117.16 113.56 1gti n TYR 49 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1gti n TYR 49 Cb 0.02 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 38.95 1gti n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gti n GLY 50 N 1.32 0.73 2.44 2.72 0.00 -1.26 -5.05 105.19 106.09 1gti n GLY 50 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1gti n GLY 50 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1gti n GLN 51 N -2.44 0.83 -4.48 1.61 6.02 -1.26 -5.16 117.38 112.50 1gti n GLN 51 Ca 0.00 -2.50 -0.23 0.00 -0.01 0.00 0.00 57.00 54.26 1gti n GLN 51 Cb 0.00 1.13 -0.10 0.00 1.02 0.00 0.00 30.24 32.28 1gti n GLN 51 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1gti s LEU 52 N 0.00 2.19 0.91 1.08 1.43 -1.26 -4.82 118.68 118.20 1gti s LEU 52 Ca 0.10 -1.43 -0.13 0.00 -1.03 0.00 0.00 54.13 51.64 1gti s LEU 52 Cb 0.00 -0.38 0.14 0.00 0.03 0.00 0.00 46.19 45.98 1gti s LEU 52 CO 0.07 -0.66 1.15 -2.16 0.23 0.00 0.00 176.35 174.98 1gti s PRO 53 N -3.86 1.17 -0.09 1.29 0.04 -1.26 -4.89 135.00 127.39 1gti s PRO 53 Ca 0.33 0.22 0.01 0.00 0.04 0.00 0.00 61.00 61.60 1gti s PRO 53 Cb 0.08 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.79 1gti s PRO 53 CO 0.15 -2.16 -0.11 0.21 0.04 0.00 0.00 177.00 175.13 1gti s LYS 54 N -5.36 1.69 0.06 4.56 2.20 -0.43 -4.15 119.74 118.32 1gti s LYS 54 Ca 0.64 -0.36 0.04 0.00 -0.36 0.00 0.00 55.97 55.93 1gti s LYS 54 Cb -0.13 -1.55 -0.04 0.00 -1.51 0.00 0.00 37.83 34.59 1gti s LYS 54 CO 0.53 -0.12 -0.04 0.12 -0.36 0.00 0.00 175.35 175.48 1gti s PHE 55 N 1.17 2.92 -0.14 4.03 5.36 -0.43 -1.02 117.98 129.87 1gti s PHE 55 Ca -0.05 -0.04 -0.01 0.00 -0.96 0.00 0.00 56.93 55.87 1gti s PHE 55 Cb -0.14 -1.55 0.04 0.00 -0.34 0.00 0.00 43.02 41.02 1gti s PHE 55 CO -0.03 0.43 -0.01 -1.21 -1.46 0.00 0.00 175.22 172.94 1gti s GLU 56 N -1.93 0.98 -0.35 10.12 2.02 -0.52 -0.92 118.70 128.11 1gti s GLU 56 Ca 0.21 -0.27 -0.00 0.00 0.02 0.00 0.00 54.97 54.93 1gti s GLU 56 Cb -0.11 -1.67 0.09 0.00 0.10 0.00 0.00 34.13 32.53 1gti s GLU 56 CO 0.13 -0.43 0.08 0.34 0.02 0.00 0.00 175.26 175.41 1gti s ASP 57 N 1.81 4.97 1.97 -0.19 -1.08 -0.33 -1.72 116.67 122.09 1gti s ASP 57 Ca 0.02 -1.80 0.00 0.00 -0.52 0.00 0.00 52.55 50.25 1gti s ASP 57 Cb -0.14 -1.73 0.00 0.00 -1.46 0.00 0.00 42.92 39.59 1gti s ASP 57 CO -0.07 -0.40 0.00 0.61 0.52 0.00 0.00 175.17 175.83 1gti n GLY 58 N 4.50 4.33 2.45 2.66 0.00 -0.95 -1.31 105.19 116.87 1gti n GLY 58 Ca -0.05 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1gti n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gti n ASP 59 N 9.02 6.29 -3.85 1.61 5.68 -1.26 -4.83 116.55 129.20 1gti n ASP 59 Ca 0.00 -3.78 -0.28 0.00 -0.50 0.00 0.00 54.79 50.24 1gti n ASP 59 Cb 0.00 -0.73 -0.17 0.00 -1.14 0.00 0.00 41.12 39.09 1gti n ASP 59 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1gti s LEU 60 N -3.77 1.49 -0.17 -2.12 2.96 -0.43 -5.13 118.68 111.50 1gti s LEU 60 Ca 0.54 -0.66 -0.09 0.00 -0.22 0.00 0.00 54.13 53.71 1gti s LEU 60 Cb 0.44 -0.82 -0.05 0.00 0.50 0.00 0.00 46.19 46.26 1gti s LEU 60 CO -0.15 -0.21 0.12 -0.89 -1.32 0.00 0.00 176.35 173.90 1gti s THR 61 N 1.69 5.35 0.11 3.68 2.01 -1.26 -1.18 115.64 126.03 1gti s THR 61 Ca 0.01 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.20 1gti s THR 61 Cb -0.15 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1gti s THR 61 CO -0.07 0.49 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.49 1gti s LEU 62 N -0.03 2.45 0.38 4.42 1.43 -0.10 -5.00 118.68 122.23 1gti s LEU 62 Ca 0.09 -0.89 0.04 0.00 -1.03 0.00 0.00 54.13 52.34 1gti s LEU 62 Cb -0.11 -0.27 -0.03 0.00 0.03 0.00 0.00 46.19 45.80 1gti s LEU 62 CO -0.00 -0.31 0.12 -0.31 0.23 0.00 0.00 176.35 176.07 1gti s TYR 63 N -2.83 1.80 0.02 0.29 2.02 -1.26 -1.32 117.35 116.08 1gti s TYR 63 Ca 0.09 -1.23 0.00 0.00 -0.37 0.00 0.00 57.07 55.56 1gti s TYR 63 Cb -0.00 -1.16 0.00 0.00 -0.40 0.00 0.00 41.96 40.40 1gti s TYR 63 CO -0.01 -0.25 0.00 1.04 -1.57 0.00 0.00 175.55 174.76 1gti n GLN 64 N -0.84 -2.69 -0.34 -0.62 1.13 -1.26 -4.38 117.38 108.37 1gti n GLN 64 Ca -0.05 2.19 0.11 0.00 -1.94 0.00 0.00 57.00 57.31 1gti n GLN 64 Cb 0.65 -2.60 0.28 0.00 0.11 0.00 0.00 30.24 28.69 1gti n GLN 64 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1gti h SER 65 N 2.19 0.74 0.56 1.08 4.64 -1.88 -1.83 113.55 119.05 1gti h SER 65 Ca 0.00 0.09 -0.16 0.00 -0.47 0.00 0.00 61.79 61.25 1gti h SER 65 Cb 0.00 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 1gti h SER 65 CO 0.00 0.29 -0.71 0.78 -0.87 0.00 0.00 176.83 176.33 1gti h ASN 66 N 0.76 0.15 0.10 4.97 2.35 -1.93 -2.29 115.58 119.70 1gti h ASN 66 Ca 0.54 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 56.08 1gti h ASN 66 Cb 0.77 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 1gti h ASN 66 CO -0.36 0.81 -0.34 0.00 -1.65 0.00 0.00 177.43 175.89 1gti h ALA 67 N 1.19 1.11 -0.31 -0.83 0.00 -1.59 -2.12 119.26 116.71 1gti h ALA 67 Ca -0.02 -0.38 -0.17 0.00 0.00 0.00 0.00 54.91 54.35 1gti h ALA 67 Cb 1.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1gti h ALA 67 CO 0.10 0.57 -0.45 0.82 0.00 0.00 0.00 179.25 180.29 1gti h ILE 68 N 0.30 1.28 -0.44 0.00 2.04 -1.27 -2.27 117.51 117.15 1gti h ILE 68 Ca 0.04 -1.64 -0.02 0.00 1.00 0.00 0.00 64.86 64.24 1gti h ILE 68 Cb 0.75 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1gti h ILE 68 CO 0.06 0.53 0.20 -0.07 0.00 0.00 0.00 178.15 178.88 1gti h LEU 69 N 0.63 0.57 -1.41 1.44 3.38 -1.17 -2.08 115.31 116.67 1gti h LEU 69 Ca 0.03 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1gti h LEU 69 Cb 1.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1gti h LEU 69 CO 0.11 0.55 -0.29 0.03 0.09 0.00 0.00 178.44 178.93 1gti h ARG 70 N 0.56 0.00 0.05 1.13 3.08 -1.39 -0.23 114.38 117.59 1gti h ARG 70 Ca 0.15 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 1gti h ARG 70 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1gti h ARG 70 CO -0.02 0.29 -0.02 1.25 -1.07 0.00 0.00 179.97 180.40 1gti h HIS 71 N 0.00 -0.06 0.00 3.04 2.76 -0.98 -1.93 115.15 117.98 1gti h HIS 71 Ca -0.00 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1gti h HIS 71 Cb 0.58 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.56 1gti h HIS 71 CO 0.00 0.33 -0.13 -0.07 -1.30 0.00 0.00 177.93 176.76 1gti h LEU 72 N -0.47 0.00 -0.90 0.26 3.38 -1.19 -1.70 115.31 114.69 1gti h LEU 72 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1gti h LEU 72 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1gti h LEU 72 CO 0.01 0.13 -0.43 1.23 0.09 0.00 0.00 178.44 179.47 1gti h GLY 73 N 0.79 0.00 0.00 0.83 0.00 -0.71 -2.04 103.07 101.93 1gti h GLY 73 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1gti h GLY 73 CO 0.02 0.00 -0.95 3.21 0.00 0.00 0.00 176.54 178.82 1gti h ARG 74 N 0.00 0.00 -0.38 4.80 3.08 -0.55 0.12 114.38 121.44 1gti h ARG 74 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 1gti h ARG 74 Cb 0.94 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 1gti h ARG 74 CO 0.06 0.96 -0.19 0.66 -1.07 0.00 0.00 179.97 180.39 1gti h SER 75 N -1.00 0.72 -0.47 7.04 4.64 -1.44 -3.06 113.55 119.98 1gti h SER 75 Ca -0.26 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1gti h SER 75 Cb 1.20 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1gti h SER 75 CO -0.16 0.91 0.00 0.18 -0.87 0.00 0.00 176.83 176.89 1gti n LEU 76 N -4.13 2.75 -3.08 5.97 4.77 -0.77 -4.96 117.00 117.54 1gti n LEU 76 Ca 0.00 -1.33 -0.16 0.00 -0.03 0.00 0.00 56.01 54.49 1gti n LEU 76 Cb 0.40 -0.31 0.07 0.00 -2.33 0.00 0.00 43.42 41.25 1gti n LEU 76 CO 0.43 0.67 0.13 0.61 -1.33 0.00 0.00 177.39 177.90 1gti n GLY 77 N 1.33 -0.27 2.32 -0.72 0.00 -1.16 -4.95 105.19 101.75 1gti n GLY 77 Ca 0.18 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 1gti n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gti n LEU 78 N -3.88 4.33 -1.03 0.99 4.77 0.37 -4.75 117.00 117.80 1gti n LEU 78 Ca -0.16 -4.74 0.05 0.00 -0.03 0.00 0.00 56.01 51.12 1gti n LEU 78 Cb 0.61 -0.27 0.10 0.00 -2.33 0.00 0.00 43.42 41.53 1gti n LEU 78 CO 0.53 2.04 0.21 0.00 -1.33 0.00 0.00 177.39 178.84 1gti n TYR 79 N -0.56 0.00 0.00 -1.77 4.19 -0.96 -2.60 117.16 115.46 1gti n TYR 79 Ca 0.37 -0.90 0.00 0.00 3.31 0.00 0.00 57.90 60.68 1gti n TYR 79 Cb 0.82 -0.19 0.00 0.00 0.49 0.00 0.00 39.34 40.46 1gti n TYR 79 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1gti n GLY 80 N -0.26 -0.93 0.08 2.98 0.00 -1.26 -4.30 105.19 101.50 1gti n GLY 80 Ca 0.11 -1.66 0.06 0.00 0.00 0.00 0.00 46.02 44.53 1gti n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gti n LYS 81 N -0.83 2.69 -3.90 1.61 2.85 -1.26 -4.99 118.16 114.34 1gti n LYS 81 Ca 0.00 -0.20 -0.09 0.00 -1.05 0.00 0.00 58.31 56.98 1gti n LYS 81 Cb 0.00 -1.10 -0.02 0.00 -0.65 0.00 0.00 35.03 33.26 1gti n LYS 81 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1gti s ASN 82 N -1.99 -0.02 0.23 -5.58 2.20 -1.26 -5.06 114.94 103.45 1gti s ASN 82 Ca 0.06 -0.93 -0.07 0.00 -0.94 0.00 0.00 52.86 50.99 1gti s ASN 82 Cb 0.09 0.72 0.32 0.00 -2.00 0.00 0.00 41.25 40.39 1gti s ASN 82 CO 0.45 -1.39 1.80 1.56 -2.94 0.00 0.00 177.10 176.58 1gti h GLN 83 N 2.07 0.69 -0.16 3.55 4.20 -1.97 -1.83 115.11 121.67 1gti h GLN 83 Ca -0.25 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.44 1gti h GLN 83 Cb 1.25 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.85 1gti h GLN 83 CO 0.32 0.46 0.01 -0.09 -0.67 0.00 0.00 178.83 178.86 1gti h ARG 84 N 0.71 0.06 0.00 1.46 2.43 -1.99 -0.88 114.38 116.17 1gti h ARG 84 Ca 0.35 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.46 1gti h ARG 84 Cb 0.29 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1gti h ARG 84 CO -0.23 0.04 -0.26 0.93 -1.51 0.00 0.00 179.97 178.94 1gti h GLU 85 N 0.06 0.00 -0.14 0.20 5.08 -1.85 -1.51 114.58 116.42 1gti h GLU 85 Ca 0.08 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.26 1gti h GLU 85 Cb 0.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.35 1gti h GLU 85 CO -0.12 0.26 -0.62 0.00 -1.00 0.00 0.00 179.01 177.53 1gti h ALA 86 N 1.74 0.26 -0.38 3.43 0.00 -0.78 -2.26 119.26 121.27 1gti h ALA 86 Ca -0.00 -0.54 -0.15 0.00 0.00 0.00 0.00 54.91 54.21 1gti h ALA 86 Cb 0.55 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1gti h ALA 86 CO 0.03 0.53 -0.37 0.00 0.00 0.00 0.00 179.25 179.44 1gti h ALA 87 N 0.52 0.62 0.00 0.00 0.00 -0.93 -2.77 119.26 116.70 1gti h ALA 87 Ca -0.04 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 1gti h ALA 87 Cb 1.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1gti h ALA 87 CO 0.13 0.68 -0.35 1.96 0.00 0.00 0.00 179.25 181.66 1gti h GLN 88 N 0.74 0.00 0.00 0.00 4.20 -1.32 -2.05 115.11 116.68 1gti h GLN 88 Ca 0.06 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.65 1gti h GLN 88 Cb 0.95 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.71 1gti h GLN 88 CO 0.09 0.35 -0.59 0.52 -0.67 0.00 0.00 178.83 178.53 1gti h MET 89 N 0.00 0.00 0.05 1.46 2.86 -1.23 -2.48 114.93 115.59 1gti h MET 89 Ca -0.00 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.38 1gti h MET 89 Cb 0.73 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.41 1gti h MET 89 CO 0.05 0.59 -1.03 -0.44 1.06 0.00 0.00 176.91 177.13 1gti h ASP 90 N 0.00 0.81 -0.68 1.22 3.32 -1.20 -2.22 116.42 117.68 1gti h ASP 90 Ca -0.01 -0.79 -0.00 0.00 0.02 0.00 0.00 57.03 56.26 1gti h ASP 90 Cb 1.20 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.46 1gti h ASP 90 CO 0.08 1.50 0.42 -0.03 -1.72 0.00 0.00 179.24 179.49 1gti h MET 91 N 0.22 0.93 -0.03 3.56 4.05 -1.34 -0.66 114.93 121.66 1gti h MET 91 Ca -0.14 -0.07 -0.10 0.00 -0.28 0.00 0.00 59.70 59.10 1gti h MET 91 Cb 1.71 -0.20 0.01 0.00 -0.80 0.00 0.00 31.60 32.32 1gti h MET 91 CO 0.20 0.64 -0.38 0.28 0.23 0.00 0.00 176.91 177.88 1gti h VAL 92 N 0.95 1.46 -0.48 -5.77 2.07 -1.47 -2.96 116.25 110.04 1gti h VAL 92 Ca 0.25 -1.89 -0.02 0.00 0.82 0.00 0.00 66.70 65.86 1gti h VAL 92 Cb -0.05 2.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1gti h VAL 92 CO -0.05 0.54 0.21 -1.13 0.02 0.00 0.00 177.57 177.16 1gti h ASN 93 N -0.23 0.61 -0.01 0.57 -1.24 -1.11 -1.61 115.58 112.55 1gti h ASN 93 Ca -0.04 -0.06 -0.11 0.00 0.71 0.00 0.00 56.30 56.81 1gti h ASN 93 Cb 1.08 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.96 1gti h ASN 93 CO 0.08 0.53 -0.32 0.44 -1.29 0.00 0.00 177.43 176.87 1gti h ASP 94 N 0.68 0.48 -0.19 1.15 5.19 -1.18 -1.55 116.42 121.00 1gti h ASP 94 Ca 0.17 -0.18 -0.12 0.00 -0.62 0.00 0.00 57.03 56.27 1gti h ASP 94 Cb 0.10 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 1gti h ASP 94 CO -0.02 0.77 -0.30 1.23 -3.12 0.00 0.00 179.24 177.81 1gti h GLY 95 N 1.06 0.74 1.13 2.75 0.00 -1.14 -1.80 103.07 105.81 1gti h GLY 95 Ca 0.05 -0.67 -0.10 0.00 0.00 0.00 0.00 47.33 46.62 1gti h GLY 95 CO 0.06 0.61 -0.02 -2.08 0.00 0.00 0.00 176.54 175.10 1gti h VAL 96 N 0.58 1.26 -0.59 4.60 2.07 -1.05 -2.92 116.25 120.21 1gti h VAL 96 Ca 0.07 -1.17 -0.08 0.00 0.82 0.00 0.00 66.70 66.34 1gti h VAL 96 Cb 0.80 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1gti h VAL 96 CO 0.07 0.42 0.06 -0.08 0.02 0.00 0.00 177.57 178.05 1gti h GLU 97 N 0.94 1.00 -0.68 1.57 4.57 -1.03 -0.65 114.58 120.29 1gti h GLU 97 Ca 0.16 -0.29 0.03 0.00 -1.18 0.00 0.00 59.36 58.09 1gti h GLU 97 Cb 0.57 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 1gti h GLU 97 CO 0.03 0.97 0.42 -0.44 -1.18 0.00 0.00 179.01 178.81 1gti h ASP 98 N 0.90 0.68 0.44 1.04 3.32 -1.20 0.12 116.42 121.73 1gti h ASP 98 Ca 0.17 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.07 1gti h ASP 98 Cb 0.48 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1gti h ASP 98 CO 0.02 0.47 -0.68 0.25 -1.72 0.00 0.00 179.24 177.58 1gti h LEU 99 N 0.82 0.25 -0.97 1.55 5.85 -1.33 -2.90 115.31 118.58 1gti h LEU 99 Ca 0.28 -0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 1gti h LEU 99 Cb 0.04 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1gti h LEU 99 CO -0.11 0.86 -0.49 -0.09 -0.34 0.00 0.00 178.44 178.26 1gti h ARG 100 N 0.15 0.05 -0.47 1.25 2.43 -0.41 -1.77 114.38 115.60 1gti h ARG 100 Ca -0.02 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 1gti h ARG 100 Cb 1.22 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1gti h ARG 100 CO 0.10 0.53 -0.13 0.78 -1.51 0.00 0.00 179.97 179.75 1gti h GLY 101 N 1.46 1.00 1.00 2.80 0.00 -0.62 -1.79 103.07 106.91 1gti h GLY 101 Ca -0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 47.33 46.43 1gti h GLY 101 CO 0.07 0.76 0.05 0.50 0.00 0.00 0.00 176.54 177.92 1gti h LYS 102 N 0.77 0.85 -0.43 4.80 1.57 -1.31 -1.83 116.57 120.99 1gti h LYS 102 Ca 0.12 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1gti h LYS 102 Cb 0.68 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1gti h LYS 102 CO 0.05 0.86 0.28 -0.92 -0.57 0.00 0.00 179.45 179.15 1gti h TYR 103 N 0.73 0.55 -0.62 -1.35 3.20 -1.19 -1.19 116.97 117.10 1gti h TYR 103 Ca 0.15 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 1gti h TYR 103 Cb 0.44 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 1gti h TYR 103 CO 0.03 0.36 0.19 0.28 -1.64 0.00 0.00 178.16 177.38 1gti h VAL 104 N 0.58 1.24 -0.68 1.81 2.07 -1.19 -1.61 116.25 118.48 1gti h VAL 104 Ca 0.16 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1gti h VAL 104 Cb -0.05 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1gti h VAL 104 CO -0.03 0.32 0.23 0.74 0.02 0.00 0.00 177.57 178.84 1gti h THR 105 N 0.91 1.25 0.69 2.57 2.02 -0.89 -2.07 112.91 117.40 1gti h THR 105 Ca 0.20 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 1gti h THR 105 Cb 0.27 0.52 0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1gti h THR 105 CO -0.01 0.33 -0.33 0.25 0.37 0.00 0.00 175.52 176.13 1gti h LEU 106 N 0.98 -0.79 -0.92 2.58 5.85 -0.78 -0.38 115.31 121.85 1gti h LEU 106 Ca 0.22 -0.00 0.12 0.00 0.84 0.00 0.00 57.88 59.05 1gti h LEU 106 Cb 0.28 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.43 1gti h LEU 106 CO -0.01 -0.47 0.55 0.40 -0.34 0.00 0.00 178.44 178.57 1gti h ILE 107 N -1.10 0.88 0.00 4.05 1.08 -1.29 -0.52 117.51 120.62 1gti h ILE 107 Ca -0.10 -0.30 -0.08 0.00 -0.39 0.00 0.00 64.86 64.00 1gti h ILE 107 Cb 0.75 -0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.42 1gti h ILE 107 CO 0.16 0.16 -1.72 -1.22 -0.69 0.00 0.00 178.15 174.83 1gti n TYR 108 N -4.70 0.39 0.00 1.37 4.02 -0.78 -4.55 117.16 112.91 1gti n TYR 108 Ca 0.17 0.12 0.00 0.00 -0.01 0.00 0.00 57.90 58.18 1gti n TYR 108 Cb 0.34 -0.77 0.00 0.00 -0.02 0.00 0.00 39.34 38.89 1gti n TYR 108 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1gti n THR 109 N -2.52 0.00 -2.70 -0.72 -2.24 -0.16 -4.93 114.28 101.02 1gti n THR 109 Ca -0.08 -0.37 -0.07 0.00 -2.27 0.00 0.00 64.05 61.27 1gti n THR 109 Cb 0.69 0.92 0.09 0.00 -2.10 0.00 0.00 70.33 69.92 1gti n THR 109 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1gti n ASN 110 N -0.92 -1.81 -0.05 3.42 5.15 -0.82 -5.02 115.26 115.21 1gti n ASN 110 Ca 0.00 -2.51 -0.13 0.00 -0.60 0.00 0.00 54.58 51.34 1gti n ASN 110 Cb 0.00 1.20 -0.07 0.00 -0.53 0.00 0.00 39.78 40.38 1gti n ASN 110 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1gti h TYR 111 N 2.04 0.37 0.42 1.20 3.20 -1.36 -2.07 116.97 120.78 1gti h TYR 111 Ca -0.30 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.43 1gti h TYR 111 Cb 1.25 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.44 1gti h TYR 111 CO 0.12 0.71 -0.20 0.93 -1.64 0.00 0.00 178.16 178.08 1gti h GLU 112 N -0.07 -0.54 0.04 1.82 3.07 -1.95 -2.86 114.58 114.08 1gti h GLU 112 Ca 0.02 0.04 -0.29 0.00 -0.50 0.00 0.00 59.36 58.62 1gti h GLU 112 Cb 0.64 0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.64 1gti h GLU 112 CO 0.03 -0.34 -1.63 -0.97 -1.40 0.00 0.00 179.01 174.69 1gti h ASN 113 N -0.59 0.12 1.75 1.42 -1.24 -1.99 -3.39 115.58 111.66 1gti h ASN 113 Ca -0.06 -0.22 -0.05 0.00 0.71 0.00 0.00 56.30 56.68 1gti h ASN 113 Cb 0.45 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.45 1gti h ASN 113 CO 0.09 1.20 -0.23 1.23 -1.29 0.00 0.00 177.43 178.43 1gti h GLY 114 N 2.81 0.00 -0.26 1.57 0.00 -1.50 -3.38 103.07 102.30 1gti h GLY 114 Ca -0.26 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.19 1gti h GLY 114 CO 0.10 0.00 -0.15 1.70 0.00 0.00 0.00 176.54 178.19 1gti h LYS 115 N 0.00 0.01 -0.67 4.80 3.64 -1.62 -1.01 116.57 121.72 1gti h LYS 115 Ca -0.00 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1gti h LYS 115 Cb 1.17 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 1gti h LYS 115 CO 0.03 0.01 0.44 -0.97 -2.27 0.00 0.00 179.45 176.68 1gti h ASN 116 N 0.01 0.75 0.14 4.20 -1.24 -1.87 -1.62 115.58 115.95 1gti h ASN 116 Ca 0.31 -0.02 -0.11 0.00 0.71 0.00 0.00 56.30 57.19 1gti h ASN 116 Cb 0.48 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.33 1gti h ASN 116 CO -0.65 0.54 -0.38 0.44 -1.29 0.00 0.00 177.43 176.09 1gti h ASP 117 N 0.89 0.34 0.35 1.15 5.19 -1.59 -2.51 116.42 120.24 1gti h ASP 117 Ca 0.25 -0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 1gti h ASP 117 Cb -0.08 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.34 1gti h ASP 117 CO -0.06 0.70 -0.17 0.22 -3.12 0.00 0.00 179.24 176.81 1gti h TYR 118 N 0.28 -0.43 -0.12 4.55 3.20 -0.81 -2.57 116.97 121.06 1gti h TYR 118 Ca 0.03 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1gti h TYR 118 Cb 0.81 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.21 1gti h TYR 118 CO 0.02 -0.10 0.11 0.28 -1.64 0.00 0.00 178.16 176.84 1gti h VAL 119 N -0.86 0.65 0.01 1.81 2.07 -1.34 0.68 116.25 119.28 1gti h VAL 119 Ca -0.05 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.28 1gti h VAL 119 Cb 0.53 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1gti h VAL 119 CO 0.08 0.00 -0.91 0.50 0.02 0.00 0.00 177.57 177.26 1gti h LYS 120 N 0.00 0.07 0.00 1.57 3.64 -1.39 -3.25 116.57 117.22 1gti h LYS 120 Ca 0.06 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1gti h LYS 120 Cb 0.29 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1gti h LYS 120 CO -0.00 0.93 -0.82 0.00 -2.27 0.00 0.00 179.45 177.29 1gti n ALA 121 N -2.41 3.78 -0.16 5.00 0.00 -0.47 -4.51 120.51 121.74 1gti n ALA 121 Ca -0.02 -0.43 -0.02 0.00 0.00 0.00 0.00 53.44 52.97 1gti n ALA 121 Cb 0.85 -0.98 0.06 0.00 0.00 0.00 0.00 19.45 19.38 1gti n ALA 121 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1gti h LEU 122 N 0.00 -0.01 -2.58 0.00 5.85 -0.95 -2.19 115.31 115.43 1gti h LEU 122 Ca 0.00 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1gti h LEU 122 Cb 0.59 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1gti h LEU 122 CO 0.00 0.03 0.07 1.55 -0.34 0.00 0.00 178.44 179.75 1gti h PRO 123 N 0.23 0.00 0.00 5.25 0.13 -1.79 -0.66 132.00 135.16 1gti h PRO 123 Ca 0.25 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.23 1gti h PRO 123 Cb 0.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.44 1gti h PRO 123 CO -0.33 0.00 -0.72 0.78 -0.23 0.00 0.00 178.00 177.50 1gti h GLY 124 N 0.00 0.00 1.49 1.56 0.00 -1.70 -3.01 103.07 101.41 1gti h GLY 124 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.09 1gti h GLY 124 CO -0.00 0.00 -1.35 0.45 0.00 0.00 0.00 176.54 175.64 1gti h HIS 125 N 0.00 0.06 0.00 5.60 3.86 -1.15 -3.34 115.15 120.18 1gti h HIS 125 Ca -0.01 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1gti h HIS 125 Cb 1.44 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.90 1gti h HIS 125 CO 0.00 1.05 -0.02 -0.07 0.86 0.00 0.00 177.93 179.75 1gti h LEU 126 N 0.01 0.00 -0.73 2.43 3.38 -1.46 -3.36 115.31 115.59 1gti h LEU 126 Ca -0.15 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.89 1gti h LEU 126 Cb 1.90 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.59 1gti h LEU 126 CO 0.11 0.00 0.41 0.50 0.09 0.00 0.00 178.44 179.55 1gti h LYS 127 N 0.00 0.72 -0.92 1.13 3.64 -1.65 -2.71 116.57 116.79 1gti h LYS 127 Ca 0.00 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.42 1gti h LYS 127 Cb 0.98 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.58 1gti h LYS 127 CO 0.00 0.48 0.59 -1.35 -2.27 0.00 0.00 179.45 176.90 1gti h PRO 128 N 0.74 0.95 -0.21 1.90 0.11 -1.80 -0.98 132.00 132.71 1gti h PRO 128 Ca 0.33 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.29 1gti h PRO 128 Cb 0.23 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 1gti h PRO 128 CO -0.20 0.63 -0.27 0.74 -0.21 0.00 0.00 178.00 178.69 1gti h PHE 129 N 0.98 0.46 -0.45 0.65 0.04 -1.74 -1.18 116.94 115.70 1gti h PHE 129 Ca 0.41 -0.10 -0.09 0.00 2.80 0.00 0.00 57.97 60.99 1gti h PHE 129 Cb 0.31 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1gti h PHE 129 CO -0.00 0.65 -0.08 1.49 -0.60 0.00 0.00 178.31 179.76 1gti h GLU 130 N 0.36 0.84 -0.74 1.51 4.57 -1.12 -2.55 114.58 117.46 1gti h GLU 130 Ca 0.05 -0.31 -0.05 0.00 -1.18 0.00 0.00 59.36 57.87 1gti h GLU 130 Cb 0.67 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.17 1gti h GLU 130 CO 0.05 0.94 0.25 1.15 -1.18 0.00 0.00 179.01 180.22 1gti h THR 131 N 0.68 1.26 -0.78 0.32 2.02 -0.86 -2.79 112.91 112.76 1gti h THR 131 Ca 0.12 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 1gti h THR 131 Cb 0.61 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 1gti h THR 131 CO 0.04 0.35 0.44 -0.07 0.37 0.00 0.00 175.52 176.64 1gti h LEU 132 N 1.08 0.97 -0.37 2.58 3.38 -1.06 -2.68 115.31 119.21 1gti h LEU 132 Ca 0.24 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1gti h LEU 132 Cb 0.28 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1gti h LEU 132 CO -0.01 0.78 0.16 -0.07 0.09 0.00 0.00 178.44 179.39 1gti h LEU 133 N 1.08 0.50 -1.33 1.67 3.38 -1.22 -2.81 115.31 116.58 1gti h LEU 133 Ca 0.28 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1gti h LEU 133 Cb 0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1gti h LEU 133 CO -0.05 0.52 0.31 0.77 0.09 0.00 0.00 178.44 180.09 1gti h SER 134 N 0.45 0.68 0.86 -0.43 4.64 -1.35 0.57 113.55 118.97 1gti h SER 134 Ca 0.12 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1gti h SER 134 Cb 0.17 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1gti h SER 134 CO -0.01 0.55 0.00 1.56 -0.87 0.00 0.00 176.83 178.05 1gti h GLN 135 N 0.78 0.00 -3.51 4.77 4.20 -1.23 -2.93 115.11 117.18 1gti h GLN 135 Ca 0.20 0.00 -0.68 0.00 0.06 0.00 0.00 58.65 58.24 1gti h GLN 135 Cb 0.01 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 27.42 1gti h GLN 135 CO -0.03 0.00 -0.46 1.21 -0.67 0.00 0.00 178.83 178.87 1gti s ASN 136 N -4.79 4.89 -1.46 1.46 2.47 -0.60 -4.77 114.94 112.14 1gti s ASN 136 Ca 0.03 -2.92 -0.07 0.00 0.42 0.00 0.00 52.86 50.33 1gti s ASN 136 Cb 0.09 -1.77 0.03 0.00 -1.45 0.00 0.00 41.25 38.15 1gti s ASN 136 CO 0.45 -0.31 0.60 0.00 -3.72 0.00 0.00 177.10 174.12 1gti n GLN 137 N 3.33 -4.55 -2.54 0.43 6.02 -1.26 -2.06 117.38 116.75 1gti n GLN 137 Ca 0.07 0.76 -0.21 0.00 -0.01 0.00 0.00 57.00 57.61 1gti n GLN 137 Cb 0.36 -5.58 0.00 0.00 1.02 0.00 0.00 30.24 26.04 1gti n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1gti n GLY 138 N -1.43 -0.48 2.35 1.08 0.00 -1.11 -2.21 105.19 103.38 1gti n GLY 138 Ca -0.07 0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 1gti n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gti n GLY 139 N -1.14 0.27 0.10 -0.02 0.00 0.19 -4.75 105.19 99.84 1gti n GLY 139 Ca -0.21 -0.24 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 1gti n GLY 139 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1gti h LYS 140 N 0.00 0.20 0.00 1.61 3.64 -1.58 -3.46 116.57 116.98 1gti h LYS 140 Ca -0.36 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 58.68 1gti h LYS 140 Cb 1.20 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1gti h LYS 140 CO 0.45 1.05 0.00 0.00 -2.27 0.00 0.00 179.45 178.68 1gti n ALA 141 N -2.61 0.00 -2.51 5.00 0.00 -1.26 -5.11 120.51 114.02 1gti n ALA 141 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.05 1gti n ALA 141 Cb 1.03 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.39 1gti n ALA 141 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1gti s PHE 142 N 1.39 1.84 0.32 0.00 0.08 -1.26 -5.05 117.98 115.31 1gti s PHE 142 Ca 0.00 -1.15 0.04 0.00 0.12 0.00 0.00 56.93 55.94 1gti s PHE 142 Cb 0.00 -1.23 0.65 0.00 -0.57 0.00 0.00 43.02 41.87 1gti s PHE 142 CO 0.00 -0.16 1.88 0.97 -0.10 0.00 0.00 175.22 177.81 1gti h ILE 143 N 1.86 0.95 -3.12 0.64 6.09 -1.96 -3.40 117.51 118.58 1gti h ILE 143 Ca -0.38 -0.30 -0.29 0.00 -1.37 0.00 0.00 64.86 62.52 1gti h ILE 143 Cb 1.27 -0.01 -0.35 0.00 0.47 0.00 0.00 36.82 38.19 1gti h ILE 143 CO 0.62 0.16 -0.63 -0.69 -3.07 0.00 0.00 178.15 174.54 1gti s VAL 144 N -5.82 -0.23 0.00 2.19 1.01 -1.26 -4.76 120.40 111.53 1gti s VAL 144 Ca -0.11 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1gti s VAL 144 Cb 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.31 1gti s VAL 144 CO 0.80 0.14 0.00 0.61 0.00 0.00 0.00 175.10 176.64 1gti n GLY 145 N 5.16 -1.07 0.04 4.51 0.00 -1.26 -4.60 105.19 107.96 1gti n GLY 145 Ca -0.08 -1.47 -0.02 0.00 0.00 0.00 0.00 46.02 44.46 1gti n GLY 145 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gti n ASP 146 N 0.28 2.56 -4.82 1.61 9.92 -1.26 -4.09 116.55 120.74 1gti n ASP 146 Ca 0.00 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 54.03 1gti n ASP 146 Cb 0.00 0.96 -0.05 0.00 -0.64 0.00 0.00 41.12 41.40 1gti n ASP 146 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1gti s GLN 147 N -2.39 2.95 0.28 -1.24 -0.21 -1.26 -4.71 119.66 113.07 1gti s GLN 147 Ca -0.05 -0.98 -0.29 0.00 0.02 0.00 0.00 55.36 54.06 1gti s GLN 147 Cb 0.04 -2.60 -0.10 0.00 1.00 0.00 0.00 33.01 31.35 1gti s GLN 147 CO 0.42 0.43 1.17 -1.50 -2.12 0.00 0.00 175.29 173.69 1gti s ILE 148 N -2.01 3.28 0.45 1.08 2.07 -1.26 -4.87 121.20 119.93 1gti s ILE 148 Ca 0.32 1.25 0.03 0.00 -1.41 0.00 0.00 60.65 60.84 1gti s ILE 148 Cb -0.09 -3.80 -0.02 0.00 0.13 0.00 0.00 42.46 38.68 1gti s ILE 148 CO 0.25 0.29 0.07 -0.94 -1.91 0.00 0.00 174.94 172.69 1gti s SER 149 N -0.62 3.43 0.42 4.50 1.04 -1.26 -4.79 113.70 116.41 1gti s SER 149 Ca 0.47 -1.65 0.14 0.00 0.48 0.00 0.00 55.95 55.39 1gti s SER 149 Cb -0.34 0.47 0.89 0.00 0.10 0.00 0.00 66.02 67.14 1gti s SER 149 CO 0.44 -0.87 1.93 2.19 0.98 0.00 0.00 173.24 177.90 1gti h PHE 150 N 1.60 0.00 -0.37 5.02 -0.00 -1.85 -2.46 116.94 118.87 1gti h PHE 150 Ca -0.40 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 57.54 1gti h PHE 150 Cb 1.29 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 37.22 1gti h PHE 150 CO 1.47 0.26 0.08 0.00 -0.00 0.00 0.00 178.31 180.12 1gti h ALA 151 N 1.74 1.46 -0.55 12.09 0.00 -1.87 -2.59 119.26 129.55 1gti h ALA 151 Ca -0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1gti h ALA 151 Cb 0.46 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1gti h ALA 151 CO 0.03 0.40 -0.00 -0.44 0.00 0.00 0.00 179.25 179.24 1gti h ASP 152 N 0.53 0.95 -0.60 0.00 3.32 -1.85 -1.53 116.42 117.24 1gti h ASP 152 Ca 0.12 -0.31 -0.10 0.00 0.02 0.00 0.00 57.03 56.77 1gti h ASP 152 Cb 0.22 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1gti h ASP 152 CO -0.00 1.03 -0.01 1.88 -1.72 0.00 0.00 179.24 180.42 1gti h TYR 153 N 0.85 1.16 -0.29 4.55 0.05 -1.50 -0.59 116.97 121.19 1gti h TYR 153 Ca 0.15 -0.20 -0.15 0.00 0.05 0.00 0.00 58.73 58.58 1gti h TYR 153 Cb 0.54 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 1gti h TYR 153 CO 0.04 1.02 -0.44 -0.97 -1.05 0.00 0.00 178.16 176.76 1gti h ASN 154 N 0.96 0.80 -0.37 3.88 -0.00 -1.40 -2.75 115.58 116.70 1gti h ASN 154 Ca 0.17 -0.38 -0.13 0.00 -0.00 0.00 0.00 56.30 55.96 1gti h ASN 154 Cb 0.57 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 38.65 1gti h ASN 154 CO 0.03 1.12 -0.26 0.25 -0.00 0.00 0.00 177.43 178.58 1gti h LEU 155 N 0.60 0.87 -0.58 0.34 5.85 -1.15 -2.45 115.31 118.79 1gti h LEU 155 Ca 0.04 -0.44 0.03 0.00 0.84 0.00 0.00 57.88 58.35 1gti h LEU 155 Cb 1.00 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1gti h LEU 155 CO 0.09 1.12 0.35 0.25 -0.34 0.00 0.00 178.44 179.91 1gti h LEU 156 N 0.62 0.56 -0.67 2.25 5.85 -1.07 -1.97 115.31 120.89 1gti h LEU 156 Ca 0.07 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 1gti h LEU 156 Cb 0.83 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1gti h LEU 156 CO 0.07 0.39 0.15 -0.78 -0.34 0.00 0.00 178.44 177.93 1gti h ASP 157 N 0.69 1.03 -0.75 1.25 3.58 -1.43 -1.14 116.42 119.64 1gti h ASP 157 Ca 0.24 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1gti h ASP 157 Cb 0.04 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 40.78 1gti h ASP 157 CO -0.11 1.01 0.45 0.25 -2.88 0.00 0.00 179.24 177.95 1gti h LEU 158 N 1.01 0.92 -0.35 2.28 5.85 -1.02 -2.26 115.31 121.72 1gti h LEU 158 Ca 0.21 -0.07 -0.19 0.00 0.84 0.00 0.00 57.88 58.67 1gti h LEU 158 Cb 0.39 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1gti h LEU 158 CO 0.01 0.72 -0.68 -0.07 -0.34 0.00 0.00 178.44 178.08 1gti h LEU 159 N 1.03 0.70 -0.70 2.25 3.38 -1.16 -2.88 115.31 117.95 1gti h LEU 159 Ca 0.27 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1gti h LEU 159 Cb -0.02 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1gti h LEU 159 CO -0.05 1.19 0.30 -0.07 0.09 0.00 0.00 178.44 179.90 1gti h LEU 160 N 0.43 0.94 -0.72 1.67 3.38 -0.97 -2.29 115.31 117.76 1gti h LEU 160 Ca -0.02 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1gti h LEU 160 Cb 1.27 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1gti h LEU 160 CO 0.13 0.84 -0.29 0.16 0.09 0.00 0.00 178.44 179.37 1gti h ILE 161 N 0.98 0.60 0.00 1.22 3.07 -1.45 -2.98 117.51 118.96 1gti h ILE 161 Ca 0.23 -1.42 0.00 0.00 1.55 0.00 0.00 64.86 65.22 1gti h ILE 161 Cb 0.18 1.97 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 1gti h ILE 161 CO -0.02 0.28 -0.06 0.45 -1.05 0.00 0.00 178.15 177.75 1gti h HIS 162 N 0.00 0.00 0.00 0.16 3.86 -1.24 -2.70 115.15 115.23 1gti h HIS 162 Ca -0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1gti h HIS 162 Cb 0.94 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.40 1gti h HIS 162 CO 0.00 0.00 -0.44 1.96 0.86 0.00 0.00 177.93 180.31 1gti h GLN 163 N 0.00 0.00 0.16 2.45 4.20 -1.26 -0.49 115.11 120.17 1gti h GLN 163 Ca 0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 1gti h GLN 163 Cb 0.80 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.59 1gti h GLN 163 CO 0.00 0.36 -1.46 0.28 -0.67 0.00 0.00 178.83 177.33 1gti h VAL 164 N 0.00 1.26 0.08 -0.54 2.07 -1.57 -2.63 116.25 114.91 1gti h VAL 164 Ca -0.01 -2.82 -0.00 0.00 0.82 0.00 0.00 66.70 64.68 1gti h VAL 164 Cb 1.29 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.94 1gti h VAL 164 CO 0.05 0.84 -0.04 0.25 0.02 0.00 0.00 177.57 178.69 1gti h LEU 165 N 0.09 -0.09 -6.98 2.57 7.12 -1.48 -3.40 115.31 113.15 1gti h LEU 165 Ca -0.23 -0.40 -0.61 0.00 0.13 0.00 0.00 57.88 56.77 1gti h LEU 165 Cb 2.05 0.02 -0.40 0.00 -0.53 0.00 0.00 40.66 41.80 1gti h LEU 165 CO 0.20 0.38 -0.74 0.00 -0.13 0.00 0.00 178.44 178.15 1gti s ALA 166 N -4.30 2.11 0.17 1.25 0.00 -0.20 -5.04 121.76 115.74 1gti s ALA 166 Ca -0.15 -2.56 0.02 0.00 0.00 0.00 0.00 51.96 49.26 1gti s ALA 166 Cb 0.02 -1.88 0.43 0.00 0.00 0.00 0.00 23.12 21.69 1gti s ALA 166 CO 0.62 -2.06 0.85 -2.30 0.00 0.00 0.00 175.76 172.86 1gti n PRO 167 N 3.58 -0.04 -1.68 0.00 -0.02 -0.99 -1.54 135.00 134.30 1gti n PRO 167 Ca 0.08 0.80 -0.18 0.00 -2.02 0.00 0.00 63.50 62.18 1gti n PRO 167 Cb 0.35 -1.29 0.06 0.00 -0.02 0.00 0.00 33.50 32.60 1gti n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gti n GLY 168 N -1.26 6.10 0.05 -1.23 0.00 -1.26 -4.77 105.19 102.81 1gti n GLY 168 Ca 0.13 -2.35 0.10 0.00 0.00 0.00 0.00 46.02 43.90 1gti n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gti n LEU 170 N -1.81 1.99 -0.31 0.00 4.77 -1.26 -4.57 117.00 115.80 1gti n LEU 170 Ca 0.03 -0.87 0.06 0.00 -0.03 0.00 0.00 56.01 55.21 1gti n LEU 170 Cb 0.22 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.58 1gti n LEU 170 CO 0.18 0.36 1.24 0.44 -1.33 0.00 0.00 177.39 178.29 1gti h ASP 171 N 2.50 0.86 -0.09 -1.43 3.32 -1.91 -0.12 116.42 119.56 1gti h ASP 171 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1gti h ASP 171 Cb 0.63 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1gti h ASP 171 CO 0.00 0.51 0.00 0.59 -1.72 0.00 0.00 179.24 178.62 1gti n ASN 172 N -4.54 0.65 -3.69 6.45 4.13 -1.26 -4.46 115.26 112.54 1gti n ASN 172 Ca 0.16 -1.76 -0.29 0.00 1.68 0.00 0.00 54.58 54.37 1gti n ASN 172 Cb 0.30 -0.06 -0.13 0.00 -1.54 0.00 0.00 39.78 38.35 1gti n ASN 172 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1gti s PHE 173 N -1.88 1.97 0.12 3.10 0.08 -0.06 -5.01 117.98 116.31 1gti s PHE 173 Ca 0.19 -2.44 -0.25 0.00 0.12 0.00 0.00 56.93 54.55 1gti s PHE 173 Cb 0.09 -1.83 -0.05 0.00 -0.57 0.00 0.00 43.02 40.66 1gti s PHE 173 CO 0.15 -0.77 1.64 -1.35 -0.10 0.00 0.00 175.22 174.79 1gti h PRO 174 N 6.58 -0.34 -0.37 0.24 0.11 -1.78 -1.95 132.00 134.49 1gti h PRO 174 Ca 0.02 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.17 1gti h PRO 174 Cb 0.92 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1gti h PRO 174 CO 0.48 -0.22 0.21 -0.07 -0.21 0.00 0.00 178.00 178.19 1gti h LEU 175 N -0.35 0.34 -1.35 2.35 3.38 -1.94 -1.81 115.31 115.94 1gti h LEU 175 Ca 0.07 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1gti h LEU 175 Cb 0.44 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1gti h LEU 175 CO -0.22 0.25 -0.29 -0.07 0.09 0.00 0.00 178.44 178.20 1gti h LEU 176 N 0.43 0.06 -0.35 1.67 3.38 -1.89 0.69 115.31 119.30 1gti h LEU 176 Ca 0.15 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 1gti h LEU 176 Cb 0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1gti h LEU 176 CO -0.07 0.35 -0.49 0.28 0.09 0.00 0.00 178.44 178.60 1gti h SER 177 N 0.05 0.97 0.35 -0.43 0.02 -0.89 -2.35 113.55 111.27 1gti h SER 177 Ca 0.01 -0.49 -0.20 0.00 -0.84 0.00 0.00 61.79 60.26 1gti h SER 177 Cb 0.54 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1gti h SER 177 CO 0.04 1.29 -0.84 0.00 -1.14 0.00 0.00 176.83 176.18 1gti h ALA 178 N 0.74 0.49 -0.61 3.77 0.00 -1.07 -2.75 119.26 119.83 1gti h ALA 178 Ca 0.03 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1gti h ALA 178 Cb 1.09 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1gti h ALA 178 CO 0.11 0.81 0.38 -0.92 0.00 0.00 0.00 179.25 179.63 1gti h TYR 179 N 0.23 0.79 -0.41 0.00 3.20 -0.80 0.12 116.97 120.09 1gti h TYR 179 Ca -0.05 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.68 1gti h TYR 179 Cb 1.44 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 1gti h TYR 179 CO 0.05 0.53 -0.30 0.28 -1.64 0.00 0.00 178.16 177.07 1gti h VAL 180 N 0.83 1.27 -0.44 1.81 2.07 -1.43 -2.02 116.25 118.33 1gti h VAL 180 Ca 0.22 -1.47 -0.09 0.00 0.82 0.00 0.00 66.70 66.19 1gti h VAL 180 Cb -0.05 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1gti h VAL 180 CO -0.04 0.50 -0.08 0.00 0.02 0.00 0.00 177.57 177.97 1gti h ALA 181 N 0.80 1.03 0.37 1.67 0.00 -1.17 -2.01 119.26 119.96 1gti h ALA 181 Ca 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1gti h ALA 181 Cb 0.89 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1gti h ALA 181 CO 0.08 0.59 -0.18 -0.09 0.00 0.00 0.00 179.25 179.65 1gti h ARG 182 N 0.71 -0.48 0.00 0.00 2.43 -0.67 -2.40 114.38 113.97 1gti h ARG 182 Ca 0.13 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1gti h ARG 182 Cb 0.54 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1gti h ARG 182 CO 0.03 -0.17 -0.09 -0.07 -1.51 0.00 0.00 179.97 178.16 1gti h LEU 183 N -0.92 0.00 -0.08 3.80 4.07 -1.40 -1.29 115.31 119.48 1gti h LEU 183 Ca -0.05 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.84 1gti h LEU 183 Cb 0.54 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.27 1gti h LEU 183 CO 0.08 0.09 -0.34 0.28 -1.08 0.00 0.00 178.44 177.47 1gti h SER 184 N 0.00 0.00 1.14 -0.43 0.02 -1.36 -3.20 113.55 109.71 1gti h SER 184 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1gti h SER 184 Cb 0.23 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 1gti h SER 184 CO 0.01 0.34 -0.07 0.00 -1.14 0.00 0.00 176.83 175.97 1gti h ALA 185 N 1.66 1.00 -2.22 3.77 0.00 -0.69 -3.28 119.26 119.50 1gti h ALA 185 Ca -0.00 -0.07 -0.57 0.00 0.00 0.00 0.00 54.91 54.27 1gti h ALA 185 Cb 1.23 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.03 1gti h ALA 185 CO 0.04 0.09 1.15 0.54 0.00 0.00 0.00 179.25 181.07 1gti n ARG 186 N -3.18 2.52 -0.32 0.00 1.74 -1.20 -4.80 116.66 111.42 1gti n ARG 186 Ca 0.01 0.92 0.11 0.00 -0.77 0.00 0.00 57.85 58.12 1gti n ARG 186 Cb 0.38 -2.82 0.23 0.00 -1.02 0.00 0.00 32.46 29.23 1gti n ARG 186 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1gti h PRO 187 N 9.59 0.03 -0.25 5.56 0.13 -1.92 0.79 132.00 145.93 1gti h PRO 187 Ca -0.49 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1gti h PRO 187 Cb 1.25 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1gti h PRO 187 CO 0.94 0.02 0.08 0.87 -0.23 0.00 0.00 178.00 179.68 1gti h LYS 188 N 0.03 0.38 -0.18 0.86 1.79 -1.90 -2.08 116.57 115.47 1gti h LYS 188 Ca 0.53 -0.08 -0.04 0.00 -2.18 0.00 0.00 60.65 58.88 1gti h LYS 188 Cb 1.01 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.60 1gti h LYS 188 CO -0.88 0.45 -0.05 0.82 -1.08 0.00 0.00 179.45 178.71 1gti h ILE 189 N 0.23 1.29 -0.94 1.86 2.04 -1.63 -2.93 117.51 117.44 1gti h ILE 189 Ca 0.08 -1.04 0.14 0.00 1.00 0.00 0.00 64.86 65.04 1gti h ILE 189 Cb 0.23 1.61 -0.09 0.00 -0.74 0.00 0.00 36.82 37.83 1gti h ILE 189 CO -0.00 0.31 0.56 0.50 0.00 0.00 0.00 178.15 179.52 1gti h LYS 190 N 0.05 0.80 -0.43 2.37 3.64 -0.85 0.15 116.57 122.31 1gti h LYS 190 Ca 0.04 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1gti h LYS 190 Cb 0.50 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1gti h LYS 190 CO 0.02 0.53 0.01 0.00 -2.27 0.00 0.00 179.45 177.74 1gti h ALA 191 N 1.55 1.22 -0.15 5.00 0.00 -1.30 -2.45 119.26 123.12 1gti h ALA 191 Ca 0.49 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1gti h ALA 191 Cb 0.60 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1gti h ALA 191 CO -0.31 0.52 -0.39 0.35 0.00 0.00 0.00 179.25 179.42 1gti h PHE 192 N 0.65 0.69 0.00 0.00 3.57 -0.62 -2.87 116.94 118.36 1gti h PHE 192 Ca 0.13 -0.27 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 1gti h PHE 192 Cb 0.39 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 1gti h PHE 192 CO 0.02 1.01 -0.00 -0.07 -2.23 0.00 0.00 178.31 177.04 1gti h LEU 193 N 0.17 0.00 -3.26 0.59 3.38 -0.78 -2.13 115.31 113.29 1gti h LEU 193 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1gti h LEU 193 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1gti h LEU 193 CO 0.08 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.42 1gti n SER 194 N -3.09 4.01 -4.85 -0.43 7.64 -0.94 -4.73 113.62 111.23 1gti n SER 194 Ca -0.01 -2.93 -0.36 0.00 1.01 0.00 0.00 58.87 56.58 1gti n SER 194 Cb 0.20 -0.54 -0.06 0.00 -1.01 0.00 0.00 64.21 62.80 1gti n SER 194 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1gti s SER 195 N -1.74 6.79 0.21 6.43 1.04 -0.80 -4.98 113.70 120.65 1gti s SER 195 Ca 0.42 0.98 -0.09 0.00 0.48 0.00 0.00 55.95 57.74 1gti s SER 195 Cb 0.33 -2.25 0.24 0.00 0.10 0.00 0.00 66.02 64.45 1gti s SER 195 CO 0.10 0.20 1.81 1.55 0.98 0.00 0.00 173.24 177.89 1gti h PRO 196 N 4.01 0.70 -0.01 4.02 0.13 -1.92 -0.70 132.00 138.23 1gti h PRO 196 Ca -0.50 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1gti h PRO 196 Cb 1.20 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 1gti h PRO 196 CO 0.65 0.46 0.03 1.05 -0.23 0.00 0.00 178.00 179.96 1gti h GLU 197 N 0.72 0.00 0.00 0.86 4.11 -1.94 -0.37 114.58 117.96 1gti h GLU 197 Ca 0.30 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.45 1gti h GLU 197 Cb 0.17 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1gti h GLU 197 CO -0.18 0.00 -1.56 1.58 0.07 0.00 0.00 179.01 178.93 1gti n HIS 198 N -3.42 0.82 -0.01 2.06 -0.00 -0.60 -4.08 115.22 109.99 1gti n HIS 198 Ca -0.03 0.34 -0.11 0.00 0.46 0.00 0.00 57.72 58.38 1gti n HIS 198 Cb 0.10 -1.08 -0.06 0.00 -0.12 0.00 0.00 29.99 28.84 1gti n HIS 198 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1gti h VAL 199 N -0.95 1.08 0.00 3.57 2.07 -0.90 -2.51 116.25 118.61 1gti h VAL 199 Ca -0.43 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1gti h VAL 199 Cb 1.40 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1gti h VAL 199 CO -0.24 0.07 0.00 0.59 0.02 0.00 0.00 177.57 178.01 1gti n ASN 200 N -4.97 0.30 -4.67 0.57 3.02 -0.17 -4.62 115.26 104.73 1gti n ASN 200 Ca -0.05 0.60 -0.39 0.00 -0.03 0.00 0.00 54.58 54.71 1gti n ASN 200 Cb 0.07 -0.65 -0.07 0.00 -0.61 0.00 0.00 39.78 38.51 1gti n ASN 200 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1gti s ARG 201 N -3.19 4.20 0.53 3.52 3.52 -0.95 -5.07 118.95 121.51 1gti s ARG 201 Ca 0.03 0.36 -0.19 0.00 -0.13 0.00 0.00 55.73 55.80 1gti s ARG 201 Cb 0.07 -3.54 -0.06 0.00 -1.56 0.00 0.00 34.95 29.85 1gti s ARG 201 CO 0.24 -0.09 1.09 -1.25 -0.81 0.00 0.00 175.30 174.48 1gti s PRO 202 N 1.44 3.48 0.05 5.12 0.04 -1.26 -4.77 135.00 139.09 1gti s PRO 202 Ca 0.23 1.49 -0.29 0.00 0.04 0.00 0.00 61.00 62.47 1gti s PRO 202 Cb -0.15 -2.04 -0.17 0.00 0.04 0.00 0.00 34.50 32.18 1gti s PRO 202 CO 0.09 -0.72 1.46 0.82 0.04 0.00 0.00 177.00 178.69 1gti h ILE 203 N 1.21 0.50 -1.23 0.56 2.04 -1.95 -0.92 117.51 117.72 1gti h ILE 203 Ca -0.49 -0.23 -0.57 0.00 1.00 0.00 0.00 64.86 64.57 1gti h ILE 203 Cb 1.24 0.60 -0.08 0.00 -0.74 0.00 0.00 36.82 37.85 1gti h ILE 203 CO 0.57 0.04 -0.44 0.20 0.00 0.00 0.00 178.15 178.52 1gti s ASN 204 N -4.72 4.50 -0.40 1.72 0.02 -1.26 -1.25 114.94 113.55 1gti s ASN 204 Ca -0.16 -1.14 0.03 0.00 -1.02 0.00 0.00 52.86 50.57 1gti s ASN 204 Cb 0.03 -0.19 0.59 0.00 0.02 0.00 0.00 41.25 41.70 1gti s ASN 204 CO 0.58 -0.71 1.81 0.61 0.02 0.00 0.00 177.10 179.41 1gti n GLY 205 N -1.39 4.21 0.33 0.66 0.00 -1.26 -4.21 105.19 103.53 1gti n GLY 205 Ca -0.03 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1gti n GLY 205 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1gti n ASN 206 N -0.94 0.00 0.00 1.61 6.94 -1.26 -5.01 115.26 116.60 1gti n ASN 206 Ca 0.53 -1.44 0.00 0.00 -0.02 0.00 0.00 54.58 53.65 1gti n ASN 206 Cb 1.53 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 38.86 1gti n ASN 206 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1gti n GLY 207 N 0.00 2.39 3.75 4.83 0.00 -1.26 -4.99 105.19 109.92 1gti n GLY 207 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1gti n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gti s LYS 208 N -0.00 4.29 0.00 1.61 1.02 -1.26 -5.04 119.74 120.36 1gti s LYS 208 Ca 0.00 0.59 0.00 0.00 0.02 0.00 0.00 55.97 56.58 1gti s LYS 208 Cb 0.00 -3.38 0.00 0.00 -0.52 0.00 0.00 37.83 33.93 1gti s LYS 208 CO 0.00 0.29 0.00 0.00 -0.92 0.00 0.00 175.35 174.72