#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6gss s TYR 3 N 0.00 2.97 -0.04 0.54 2.02 -1.26 -2.18 117.35 119.41 6gss s TYR 3 Ca 0.00 0.02 -0.01 0.00 -0.37 0.00 0.00 57.07 56.70 6gss s TYR 3 Cb 0.00 -1.64 0.03 0.00 -0.40 0.00 0.00 41.96 39.96 6gss s TYR 3 CO 0.00 0.42 0.06 0.99 -1.57 0.00 0.00 175.55 175.45 6gss s THR 4 N -1.04 -0.10 -0.17 -0.71 2.01 -0.61 -0.56 115.64 114.46 6gss s THR 4 Ca 0.18 0.31 -0.01 0.00 0.31 0.00 0.00 61.69 62.48 6gss s THR 4 Cb -0.11 -0.14 -0.01 0.00 0.01 0.00 0.00 72.50 72.25 6gss s THR 4 CO 0.09 0.13 -0.11 0.68 -0.69 0.00 0.00 174.62 174.72 6gss s VAL 5 N 1.64 3.05 -0.26 3.82 -7.23 -0.10 -1.01 120.40 120.32 6gss s VAL 5 Ca -0.02 -0.63 -0.08 0.00 -1.81 0.00 0.00 61.98 59.44 6gss s VAL 5 Cb -0.12 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.46 6gss s VAL 5 CO -0.04 0.49 0.09 -0.69 -0.31 0.00 0.00 175.10 174.64 6gss s VAL 6 N 0.86 4.45 0.22 1.32 1.01 0.13 -0.71 120.40 127.68 6gss s VAL 6 Ca -0.03 -0.14 -0.23 0.00 0.00 0.00 0.00 61.98 61.58 6gss s VAL 6 Cb -0.15 -3.09 0.04 0.00 0.00 0.00 0.00 36.38 33.18 6gss s VAL 6 CO 0.00 0.32 0.80 -0.47 0.00 0.00 0.00 175.10 175.75 6gss s TYR 7 N 1.63 -0.21 0.77 5.22 5.04 -0.85 -1.92 117.35 127.05 6gss s TYR 7 Ca 0.06 -0.17 -0.11 0.00 -2.44 0.00 0.00 57.07 54.42 6gss s TYR 7 Cb -0.15 0.67 0.06 0.00 0.35 0.00 0.00 41.96 42.88 6gss s TYR 7 CO 0.05 -1.04 1.08 -0.06 -1.34 0.00 0.00 175.55 174.24 6gss s PHE 8 N -3.66 2.69 -1.03 4.97 0.08 -1.26 -0.97 117.98 118.80 6gss s PHE 8 Ca 0.10 1.46 -0.07 0.00 0.12 0.00 0.00 56.93 58.53 6gss s PHE 8 Cb -0.04 -3.03 -0.11 0.00 -0.57 0.00 0.00 43.02 39.28 6gss s PHE 8 CO 0.03 -1.74 2.71 -0.35 -0.10 0.00 0.00 175.22 175.77 6gss n PRO 9 N -3.47 2.71 -4.14 0.24 -0.04 -1.26 -4.80 135.00 124.25 6gss n PRO 9 Ca 0.08 -1.64 -0.09 0.00 -0.04 0.00 0.00 63.50 61.81 6gss n PRO 9 Cb 0.54 -2.48 -0.10 0.00 -0.04 0.00 0.00 33.50 31.41 6gss n PRO 9 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 6gss s VAL 10 N 2.39 0.12 -0.07 0.52 -7.23 -1.26 -4.27 120.40 110.60 6gss s VAL 10 Ca 0.56 -1.89 -0.14 0.00 -1.81 0.00 0.00 61.98 58.71 6gss s VAL 10 Cb 0.17 -1.97 -0.10 0.00 0.56 0.00 0.00 36.38 35.05 6gss s VAL 10 CO -0.04 -0.54 0.53 0.03 -0.31 0.00 0.00 175.10 174.78 6gss h ARG 11 N 2.90 -0.23 0.00 4.82 3.08 -0.99 -3.46 114.38 120.50 6gss h ARG 11 Ca -0.35 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.72 6gss h ARG 11 Cb 1.19 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.29 6gss h ARG 11 CO 0.60 0.04 0.00 0.41 -1.07 0.00 0.00 179.97 179.95 6gss n GLY 12 N 0.97 2.15 0.00 0.04 0.00 0.21 -1.12 105.19 107.44 6gss n GLY 12 Ca -0.05 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.11 6gss n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 6gss n ARG 13 N 11.82 0.88 0.00 1.61 1.74 -1.26 -3.24 116.66 128.21 6gss n ARG 13 Ca 0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 6gss n ARG 13 Cb 0.00 -1.43 -0.08 0.00 -1.02 0.00 0.00 32.46 29.93 6gss n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 6gss h ALA 15 N 2.36 0.22 -0.21 0.00 0.00 -1.34 -0.89 119.26 119.40 6gss h ALA 15 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 6gss h ALA 15 Cb 0.40 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 6gss h ALA 15 CO 0.00 -0.44 0.13 0.00 0.00 0.00 0.00 179.25 178.94 6gss h ALA 16 N 1.26 0.26 -0.02 0.00 0.00 -1.83 -0.48 119.26 118.46 6gss h ALA 16 Ca 0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 6gss h ALA 16 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 6gss h ALA 16 CO -0.25 -0.23 -0.33 1.37 0.00 0.00 0.00 179.25 179.81 6gss h LEU 17 N 0.25 0.03 -0.29 0.00 8.10 -1.78 -0.80 115.31 120.82 6gss h LEU 17 Ca 0.07 -0.01 -0.15 0.00 0.11 0.00 0.00 57.88 57.91 6gss h LEU 17 Cb 0.02 -0.01 -0.00 0.00 -0.44 0.00 0.00 40.66 40.23 6gss h LEU 17 CO -0.01 0.36 -0.40 0.03 -4.11 0.00 0.00 178.44 174.30 6gss h ARG 18 N 0.03 0.79 -0.82 0.17 3.08 -0.72 -1.35 114.38 115.57 6gss h ARG 18 Ca 0.00 -0.46 -0.03 0.00 0.07 0.00 0.00 59.98 59.56 6gss h ARG 18 Cb 0.59 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.64 6gss h ARG 18 CO 0.04 1.09 0.39 0.52 -1.07 0.00 0.00 179.97 180.94 6gss h MET 19 N 0.55 1.18 0.18 0.04 2.86 -0.71 0.12 114.93 119.16 6gss h MET 19 Ca 0.03 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 6gss h MET 19 Cb 1.00 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.45 6gss h MET 19 CO 0.09 0.91 -0.09 1.25 1.06 0.00 0.00 176.91 180.14 6gss h LEU 20 N 1.17 -0.21 -0.27 1.22 6.46 -0.99 0.10 115.31 122.80 6gss h LEU 20 Ca 0.28 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 6gss h LEU 20 Cb 0.13 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 6gss h LEU 20 CO -0.03 -0.06 0.18 -0.07 -0.62 0.00 0.00 178.44 177.83 6gss h LEU 21 N -0.34 0.31 0.06 2.25 3.38 -1.03 -0.25 115.31 119.70 6gss h LEU 21 Ca -0.02 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.94 6gss h LEU 21 Cb 0.26 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 6gss h LEU 21 CO 0.04 0.23 -0.07 0.00 0.09 0.00 0.00 178.44 178.72 6gss h ALA 22 N 1.10 -0.13 -0.13 1.53 0.00 -0.88 0.16 119.26 120.91 6gss h ALA 22 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 6gss h ALA 22 Cb -0.04 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 6gss h ALA 22 CO -0.02 -0.59 -0.11 0.22 0.00 0.00 0.00 179.25 178.76 6gss h ASP 23 N -0.16 0.19 -0.27 0.00 3.58 -0.61 -1.27 116.42 117.87 6gss h ASP 23 Ca 0.01 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.43 6gss h ASP 23 Cb 0.16 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.16 6gss h ASP 23 CO -0.03 0.32 0.00 0.00 -2.88 0.00 0.00 179.24 176.65 6gss n GLN 24 N -4.31 1.65 -2.90 0.28 1.13 -0.12 -4.82 117.38 108.30 6gss n GLN 24 Ca -0.01 -1.01 -0.20 0.00 -1.94 0.00 0.00 57.00 53.84 6gss n GLN 24 Cb 0.24 -1.23 0.03 0.00 0.11 0.00 0.00 30.24 29.39 6gss n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 6gss n GLY 25 N 0.96 -0.39 3.91 1.08 0.00 -0.48 -4.99 105.19 105.28 6gss n GLY 25 Ca 0.10 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 6gss n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 6gss s GLN 26 N -5.53 3.58 -0.13 1.61 -1.52 0.52 -5.03 119.66 113.17 6gss s GLN 26 Ca 0.25 -0.18 -0.07 0.00 -1.95 0.00 0.00 55.36 53.42 6gss s GLN 26 Cb -0.11 -2.83 -0.04 0.00 -0.22 0.00 0.00 33.01 29.81 6gss s GLN 26 CO 0.31 0.42 0.11 -1.12 -0.25 0.00 0.00 175.29 174.77 6gss s SER 27 N -2.77 6.16 0.06 5.90 0.01 -1.26 -4.49 113.70 117.31 6gss s SER 27 Ca 0.40 0.37 -0.16 0.00 1.31 0.00 0.00 55.95 57.88 6gss s SER 27 Cb -0.12 -1.98 0.03 0.00 0.21 0.00 0.00 66.02 64.16 6gss s SER 27 CO 0.27 0.36 0.36 -1.66 0.41 0.00 0.00 173.24 172.98 6gss s TRP 28 N -0.75 -0.18 -0.10 2.43 -2.14 -1.26 -4.03 118.94 112.92 6gss s TRP 28 Ca 0.13 0.04 -0.02 0.00 2.66 0.00 0.00 56.10 58.92 6gss s TRP 28 Cb -0.12 0.17 -0.03 0.00 -3.10 0.00 0.00 33.47 30.39 6gss s TRP 28 CO 0.03 -0.56 -0.02 0.21 -2.66 0.00 0.00 176.95 173.95 6gss s LYS 29 N -2.76 3.08 -0.19 3.25 2.47 0.27 -4.99 119.74 120.87 6gss s LYS 29 Ca -0.04 -0.45 -0.08 0.00 -1.56 0.00 0.00 55.97 53.84 6gss s LYS 29 Cb -0.00 -2.79 -0.04 0.00 -1.46 0.00 0.00 37.83 33.54 6gss s LYS 29 CO -0.04 0.61 0.08 -1.21 0.16 0.00 0.00 175.35 174.95 6gss s GLU 30 N -0.64 4.00 -0.37 4.03 0.41 -1.26 -0.92 118.70 123.94 6gss s GLU 30 Ca 0.10 -0.33 -0.02 0.00 -0.41 0.00 0.00 54.97 54.31 6gss s GLU 30 Cb -0.12 -3.28 0.09 0.00 -1.78 0.00 0.00 34.13 29.04 6gss s GLU 30 CO 0.02 0.23 0.13 -1.21 -0.49 0.00 0.00 175.26 173.94 6gss s GLU 31 N 0.51 2.09 -0.01 1.61 0.41 0.11 -4.96 118.70 118.46 6gss s GLU 31 Ca 0.04 -1.65 -0.30 0.00 -0.41 0.00 0.00 54.97 52.65 6gss s GLU 31 Cb -0.12 -3.44 -0.03 0.00 -1.78 0.00 0.00 34.13 28.76 6gss s GLU 31 CO 0.01 -0.92 1.03 0.08 -0.49 0.00 0.00 175.26 174.96 6gss s VAL 32 N 1.16 4.70 -0.24 2.63 1.01 -1.26 -2.00 120.40 126.40 6gss s VAL 32 Ca 0.05 1.94 -0.05 0.00 0.00 0.00 0.00 61.98 63.92 6gss s VAL 32 Cb -0.21 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.91 6gss s VAL 32 CO -0.03 0.12 0.00 -0.69 0.00 0.00 0.00 175.10 174.50 6gss s VAL 33 N 1.21 3.63 0.46 2.92 1.01 -0.15 -4.94 120.40 124.55 6gss s VAL 33 Ca 0.53 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 6gss s VAL 33 Cb -0.22 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 6gss s VAL 33 CO 0.27 0.33 0.75 0.42 0.00 0.00 0.00 175.10 176.86 6gss s THR 34 N 1.50 4.79 0.42 3.92 -4.23 -1.26 -3.99 115.64 116.79 6gss s THR 34 Ca 0.05 0.02 0.15 0.00 -1.18 0.00 0.00 61.69 60.73 6gss s THR 34 Cb -0.15 -3.81 0.35 0.00 1.34 0.00 0.00 72.50 70.23 6gss s THR 34 CO -0.01 -0.74 1.92 1.62 -0.54 0.00 0.00 174.62 176.87 6gss h VAL 35 N 0.29 0.80 0.65 2.29 3.04 -1.99 0.14 116.25 121.48 6gss h VAL 35 Ca -0.47 -0.15 -0.03 0.00 -1.01 0.00 0.00 66.70 65.04 6gss h VAL 35 Cb 1.21 0.34 0.01 0.00 -2.01 0.00 0.00 31.29 30.84 6gss h VAL 35 CO 0.61 0.08 -0.31 -0.33 -1.01 0.00 0.00 177.57 176.61 6gss h GLU 36 N 0.43 -0.84 -0.76 4.17 3.07 -1.98 -0.72 114.58 117.96 6gss h GLU 36 Ca 0.37 0.06 0.14 0.00 -0.50 0.00 0.00 59.36 59.42 6gss h GLU 36 Cb 0.82 0.19 -0.09 0.00 -0.84 0.00 0.00 28.75 28.83 6gss h GLU 36 CO -0.12 -0.52 0.31 1.15 -1.40 0.00 0.00 179.01 178.43 6gss h THR 37 N -1.06 0.67 -0.24 1.13 2.02 -1.67 -1.59 112.91 112.17 6gss h THR 37 Ca -0.09 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 6gss h THR 37 Cb 0.71 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 6gss h THR 37 CO 0.15 0.08 0.08 -0.25 0.37 0.00 0.00 175.52 175.95 6gss h TRP 38 N 0.46 0.37 0.00 3.16 2.91 -0.89 -2.59 115.95 119.37 6gss h TRP 38 Ca 0.41 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.40 6gss h TRP 38 Cb 0.62 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.16 6gss h TRP 38 CO -0.16 0.42 0.00 1.04 -1.03 0.00 0.00 178.44 178.71 6gss n GLN 39 N -4.77 0.11 0.02 2.65 6.02 -0.29 -1.82 117.38 119.31 6gss n GLN 39 Ca -0.03 0.44 -0.01 0.00 -0.01 0.00 0.00 57.00 57.39 6gss n GLN 39 Cb 0.15 -1.76 0.28 0.00 1.02 0.00 0.00 30.24 29.93 6gss n GLN 39 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 6gss h GLU 40 N 0.00 0.48 0.00 -1.09 4.22 -0.92 -3.48 114.58 113.79 6gss h GLU 40 Ca 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.32 6gss h GLU 40 Cb 0.21 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.40 6gss h GLU 40 CO 0.00 0.57 0.00 0.41 -2.18 0.00 0.00 179.01 177.81 6gss n GLY 41 N -0.75 2.98 0.28 1.92 0.00 -0.75 -4.95 105.19 103.92 6gss n GLY 41 Ca 0.01 -0.63 -0.02 0.00 0.00 0.00 0.00 46.02 45.38 6gss n GLY 41 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 6gss h SER 42 N 0.24 0.67 0.34 1.61 4.64 -1.86 -1.59 113.55 117.60 6gss h SER 42 Ca 0.00 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 6gss h SER 42 Cb 0.00 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 6gss h SER 42 CO 0.00 0.44 -0.16 0.25 -0.87 0.00 0.00 176.83 176.49 6gss h LEU 43 N 0.81 -0.38 -0.73 5.97 6.46 -1.88 -2.69 115.31 122.86 6gss h LEU 43 Ca 0.31 -0.12 0.16 0.00 -0.12 0.00 0.00 57.88 58.11 6gss h LEU 43 Cb 0.13 0.10 -0.11 0.00 -0.73 0.00 0.00 40.66 40.04 6gss h LEU 43 CO -0.15 -0.08 0.14 0.50 -0.62 0.00 0.00 178.44 178.22 6gss h LYS 44 N -0.69 0.22 -0.20 1.25 3.64 -1.80 0.13 116.57 119.12 6gss h LYS 44 Ca -0.05 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 6gss h LYS 44 Cb 0.48 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 6gss h LYS 44 CO 0.08 0.14 0.14 0.00 -2.27 0.00 0.00 179.45 177.54 6gss h ALA 45 N 1.63 1.94 0.00 5.00 0.00 -1.19 -1.45 119.26 125.20 6gss h ALA 45 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 6gss h ALA 45 Cb 0.72 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.45 6gss h ALA 45 CO -0.54 0.04 -0.44 -1.13 0.00 0.00 0.00 179.25 177.17 6gss n SER 46 N -4.50 0.65 -4.70 0.00 3.41 0.41 -4.84 113.62 104.04 6gss n SER 46 Ca 0.01 0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 58.38 6gss n SER 46 Cb 0.13 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 6gss n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 6gss h LEU 48 N 7.41 -1.11 -3.30 0.00 5.85 -1.88 -0.14 115.31 122.14 6gss h LEU 48 Ca -0.38 0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 6gss h LEU 48 Cb 1.19 0.62 -0.01 0.00 0.37 0.00 0.00 40.66 42.83 6gss h LEU 48 CO 0.82 -0.29 0.00 -1.22 -0.34 0.00 0.00 178.44 177.42 6gss n TYR 49 N -5.49 1.09 -1.93 1.25 4.01 -1.26 -4.95 117.16 109.88 6gss n TYR 49 Ca 0.09 -0.90 -0.17 0.00 -0.16 0.00 0.00 57.90 56.77 6gss n TYR 49 Cb 0.40 -0.35 -0.04 0.00 -0.31 0.00 0.00 39.34 39.04 6gss n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 6gss n GLY 50 N -0.42 0.61 3.14 2.72 0.00 -0.06 -4.99 105.19 106.18 6gss n GLY 50 Ca 0.23 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 6gss n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 6gss s GLN 51 N -4.17 0.71 0.35 1.61 -0.21 -1.26 -4.94 119.66 111.75 6gss s GLN 51 Ca 0.00 -1.15 0.08 0.00 0.02 0.00 0.00 55.36 54.31 6gss s GLN 51 Cb 0.00 0.26 -0.03 0.00 1.00 0.00 0.00 33.01 34.24 6gss s GLN 51 CO 0.00 -0.18 0.25 -0.51 -2.12 0.00 0.00 175.29 172.73 6gss s LEU 52 N -2.91 3.45 0.68 2.90 1.43 -1.26 -4.70 118.68 118.27 6gss s LEU 52 Ca 0.07 -0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 52.41 6gss s LEU 52 Cb 0.07 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.29 6gss s LEU 52 CO -0.09 -0.37 1.09 -2.16 0.23 0.00 0.00 176.35 175.05 6gss s PRO 53 N -3.96 2.74 -0.04 1.29 0.04 -1.26 -4.92 135.00 128.89 6gss s PRO 53 Ca 0.41 1.27 0.07 0.00 0.04 0.00 0.00 61.00 62.79 6gss s PRO 53 Cb -0.04 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 6gss s PRO 53 CO 0.25 -1.28 -0.25 0.21 0.04 0.00 0.00 177.00 175.97 6gss s LYS 54 N -4.38 2.36 0.02 4.56 2.20 -0.81 -3.83 119.74 119.86 6gss s LYS 54 Ca 0.64 -0.91 0.04 0.00 -0.36 0.00 0.00 55.97 55.38 6gss s LYS 54 Cb -0.18 -2.11 -0.01 0.00 -1.51 0.00 0.00 37.83 34.01 6gss s LYS 54 CO 0.46 0.46 -0.11 0.12 -0.36 0.00 0.00 175.35 175.92 6gss s PHE 55 N -0.37 1.00 -0.05 4.03 5.36 0.51 -0.69 117.98 127.77 6gss s PHE 55 Ca 0.03 -0.28 0.03 0.00 -0.96 0.00 0.00 56.93 55.75 6gss s PHE 55 Cb -0.12 -0.62 0.01 0.00 -0.34 0.00 0.00 43.02 41.95 6gss s PHE 55 CO 0.02 -0.00 -0.13 -0.65 -1.46 0.00 0.00 175.22 172.99 6gss s GLN 56 N -0.74 1.65 -0.33 10.12 -0.21 -0.18 0.01 119.66 129.97 6gss s GLN 56 Ca 0.01 -0.46 0.00 0.00 0.02 0.00 0.00 55.36 54.94 6gss s GLN 56 Cb -0.06 -1.39 0.10 0.00 1.00 0.00 0.00 33.01 32.66 6gss s GLN 56 CO 0.00 0.10 0.10 0.34 -2.12 0.00 0.00 175.29 173.71 6gss s ASP 57 N 0.42 4.16 1.61 5.90 -1.08 0.12 -1.58 116.67 126.22 6gss s ASP 57 Ca -0.10 -1.83 0.00 0.00 -0.52 0.00 0.00 52.55 50.10 6gss s ASP 57 Cb -0.14 -1.04 0.00 0.00 -1.46 0.00 0.00 42.92 40.29 6gss s ASP 57 CO 0.03 -0.40 0.00 0.61 0.52 0.00 0.00 175.17 175.93 6gss n GLY 58 N 4.62 2.75 1.35 2.66 0.00 -0.93 -0.99 105.19 114.65 6gss n GLY 58 Ca 0.00 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.87 6gss n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 6gss n ASP 59 N 6.87 4.16 -4.66 1.61 5.75 -1.26 -4.87 116.55 124.15 6gss n ASP 59 Ca 0.00 -2.21 -0.40 0.00 -0.01 0.00 0.00 54.79 52.16 6gss n ASP 59 Cb 0.00 -0.50 -0.06 0.00 -1.03 0.00 0.00 41.12 39.54 6gss n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 6gss s LEU 60 N -1.40 4.15 -0.15 -2.12 0.20 -0.16 -5.04 118.68 114.15 6gss s LEU 60 Ca 0.47 0.87 -0.02 0.00 0.69 0.00 0.00 54.13 56.14 6gss s LEU 60 Cb 0.27 -2.93 -0.02 0.00 -0.43 0.00 0.00 46.19 43.09 6gss s LEU 60 CO 0.27 -0.28 -0.08 -0.89 -0.29 0.00 0.00 176.35 175.07 6gss s THR 61 N 1.92 3.42 0.13 3.68 2.01 -1.26 -0.70 115.64 124.83 6gss s THR 61 Ca 0.30 -0.52 0.07 0.00 0.31 0.00 0.00 61.69 61.85 6gss s THR 61 Cb -0.16 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 6gss s THR 61 CO 0.11 0.50 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.61 6gss s LEU 62 N 0.48 2.38 0.26 4.42 1.02 0.10 -4.97 118.68 122.37 6gss s LEU 62 Ca -0.06 -0.78 0.04 0.00 0.02 0.00 0.00 54.13 53.34 6gss s LEU 62 Cb -0.15 -0.72 -0.06 0.00 0.02 0.00 0.00 46.19 45.28 6gss s LEU 62 CO 0.04 -0.05 0.01 -0.31 0.02 0.00 0.00 176.35 176.05 6gss s TYR 63 N -1.79 1.71 0.00 0.29 1.51 -1.26 -0.36 117.35 117.45 6gss s TYR 63 Ca 0.10 -0.91 0.00 0.00 -1.01 0.00 0.00 57.07 55.25 6gss s TYR 63 Cb -0.07 -1.02 0.00 0.00 -0.11 0.00 0.00 41.96 40.76 6gss s TYR 63 CO 0.04 0.00 0.00 1.04 -1.11 0.00 0.00 175.55 175.53 6gss n GLN 64 N -0.51 0.00 -0.29 -0.62 1.13 -1.25 -4.55 117.38 111.30 6gss n GLN 64 Ca -0.04 0.50 0.07 0.00 -1.94 0.00 0.00 57.00 55.59 6gss n GLN 64 Cb 0.65 -0.41 0.22 0.00 0.11 0.00 0.00 30.24 30.81 6gss n GLN 64 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 6gss h SER 65 N 0.00 0.44 0.49 1.08 4.64 -1.89 -1.16 113.55 117.16 6gss h SER 65 Ca 0.00 0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 6gss h SER 65 Cb 0.00 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 6gss h SER 65 CO 0.00 0.17 -0.39 0.78 -0.87 0.00 0.00 176.83 176.52 6gss h ASN 66 N 0.55 0.00 -0.37 4.97 2.35 -1.92 -0.03 115.58 121.13 6gss h ASN 66 Ca 0.46 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 56.04 6gss h ASN 66 Cb 0.68 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.05 6gss h ASN 66 CO -0.39 0.39 -0.42 0.74 -1.65 0.00 0.00 177.43 176.10 6gss h THR 67 N 0.00 1.27 -0.23 2.81 2.02 -1.49 -0.27 112.91 117.02 6gss h THR 67 Ca -0.00 -1.60 -0.02 0.00 0.77 0.00 0.00 66.41 65.56 6gss h THR 67 Cb 0.74 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 6gss h THR 67 CO 0.05 0.53 0.07 0.40 0.37 0.00 0.00 175.52 176.95 6gss h ILE 68 N 0.75 1.19 -0.43 3.11 2.04 -0.85 0.78 117.51 124.10 6gss h ILE 68 Ca 0.05 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.33 6gss h ILE 68 Cb 1.03 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 6gss h ILE 68 CO 0.10 0.19 0.26 -0.07 0.00 0.00 0.00 178.15 178.64 6gss h LEU 69 N 0.21 0.43 -0.91 1.44 3.38 -0.91 -0.73 115.31 118.21 6gss h LEU 69 Ca 0.07 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 6gss h LEU 69 Cb 0.23 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 6gss h LEU 69 CO -0.00 0.31 0.06 0.03 0.09 0.00 0.00 178.44 178.92 6gss h ARG 70 N 0.53 0.87 -0.22 1.13 3.08 -0.86 0.71 114.38 119.62 6gss h ARG 70 Ca 0.17 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 6gss h ARG 70 Cb -0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 6gss h ARG 70 CO -0.07 0.83 0.08 1.25 -1.07 0.00 0.00 179.97 180.98 6gss h HIS 71 N 0.82 0.35 -0.58 3.04 2.76 -0.35 -0.07 115.15 121.12 6gss h HIS 71 Ca 0.17 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.23 6gss h HIS 71 Cb 0.40 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 6gss h HIS 71 CO 0.02 0.40 0.06 -0.07 -1.30 0.00 0.00 177.93 177.04 6gss h LEU 72 N 0.19 0.92 -1.05 0.26 4.07 -0.97 -0.18 115.31 118.55 6gss h LEU 72 Ca 0.07 -0.22 -0.04 0.00 0.08 0.00 0.00 57.88 57.77 6gss h LEU 72 Cb 0.21 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.68 6gss h LEU 72 CO -0.00 0.94 0.19 1.23 -1.08 0.00 0.00 178.44 179.72 6gss h GLY 73 N 1.01 0.94 0.73 0.83 0.00 -0.56 0.12 103.07 106.14 6gss h GLY 73 Ca 0.18 -0.51 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 6gss h GLY 73 CO 0.02 0.48 -0.38 -0.09 0.00 0.00 0.00 176.54 176.57 6gss h ARG 74 N 0.85 0.38 0.00 4.80 2.43 -0.64 0.44 114.38 122.65 6gss h ARG 74 Ca 0.19 -0.32 -0.18 0.00 -0.81 0.00 0.00 59.98 58.86 6gss h ARG 74 Cb 0.24 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 6gss h ARG 74 CO -0.01 0.96 -0.86 1.79 -1.51 0.00 0.00 179.97 180.34 6gss h THR 75 N -0.10 1.61 -0.02 0.20 1.35 -0.91 -3.26 112.91 111.77 6gss h THR 75 Ca -0.03 -2.92 0.00 0.00 -0.55 0.00 0.00 66.41 62.91 6gss h THR 75 Cb 1.04 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 70.04 6gss h THR 75 CO 0.08 0.84 -0.09 0.18 -0.25 0.00 0.00 175.52 176.28 6gss n LEU 76 N -3.53 2.45 -1.38 3.87 4.32 0.42 -4.99 117.00 118.16 6gss n LEU 76 Ca -0.01 -0.82 -0.06 0.00 -0.02 0.00 0.00 56.01 55.10 6gss n LEU 76 Cb 0.82 -0.01 0.02 0.00 -1.62 0.00 0.00 43.42 42.64 6gss n LEU 76 CO 0.45 0.42 0.06 0.61 -1.22 0.00 0.00 177.39 177.71 6gss n GLY 77 N 1.33 0.50 2.42 -0.72 0.00 -0.73 -4.97 105.19 103.02 6gss n GLY 77 Ca 0.14 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 6gss n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 6gss n LEU 78 N -1.73 4.73 -2.29 0.99 4.77 0.15 -4.74 117.00 118.88 6gss n LEU 78 Ca -0.01 -5.15 -0.06 0.00 -0.03 0.00 0.00 56.01 50.76 6gss n LEU 78 Cb 0.52 -0.44 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 6gss n LEU 78 CO 0.17 2.22 0.08 0.00 -1.33 0.00 0.00 177.39 178.53 6gss n TYR 79 N -0.51 1.42 0.00 -1.77 4.19 -1.22 -1.15 117.16 118.12 6gss n TYR 79 Ca 0.40 -1.90 0.00 0.00 3.31 0.00 0.00 57.90 59.70 6gss n TYR 79 Cb 0.70 -0.25 0.00 0.00 0.49 0.00 0.00 39.34 40.28 6gss n TYR 79 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 6gss n GLY 80 N -0.52 -1.74 0.10 2.98 0.00 -1.26 -3.90 105.19 100.84 6gss n GLY 80 Ca 0.18 -1.54 0.12 0.00 0.00 0.00 0.00 46.02 44.78 6gss n GLY 80 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 6gss h LYS 81 N 0.00 0.00 0.00 1.61 2.10 -1.96 -3.46 116.57 114.86 6gss h LYS 81 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 6gss h LYS 81 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 6gss h LYS 81 CO 0.00 0.00 0.09 -0.40 -2.00 0.00 0.00 179.45 177.14 6gss n ASP 82 N -2.39 -1.30 -0.24 7.07 5.68 -1.26 -5.04 116.55 119.08 6gss n ASP 82 Ca 0.03 -2.09 -0.05 0.00 -0.50 0.00 0.00 54.79 52.18 6gss n ASP 82 Cb 0.48 2.21 0.05 0.00 -1.14 0.00 0.00 41.12 42.73 6gss n ASP 82 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 6gss h GLN 83 N 0.00 0.85 -0.26 0.11 4.20 -1.93 0.29 115.11 118.38 6gss h GLN 83 Ca -0.20 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.47 6gss h GLN 83 Cb 0.79 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 6gss h GLN 83 CO 0.26 0.57 0.12 0.37 -0.67 0.00 0.00 178.83 179.48 6gss h GLN 84 N 0.88 0.25 -0.49 1.46 4.15 -1.98 -0.48 115.11 118.90 6gss h GLN 84 Ca 0.25 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.57 6gss h GLN 84 Cb -0.08 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 6gss h GLN 84 CO -0.06 0.16 -0.03 0.93 -1.93 0.00 0.00 178.83 177.90 6gss h GLU 85 N 0.26 0.85 -0.79 1.69 5.08 -1.83 -2.10 114.58 117.73 6gss h GLU 85 Ca 0.11 -0.25 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 6gss h GLU 85 Cb 0.04 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 6gss h GLU 85 CO -0.08 0.87 0.51 0.00 -1.00 0.00 0.00 179.01 179.31 6gss h ALA 86 N 1.18 1.02 -0.73 3.43 0.00 -0.49 0.12 119.26 123.79 6gss h ALA 86 Ca 0.14 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 6gss h ALA 86 Cb 0.52 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 6gss h ALA 86 CO 0.03 0.37 0.22 0.00 0.00 0.00 0.00 179.25 179.86 6gss h ALA 87 N 1.31 0.96 -0.46 0.00 0.00 -0.70 -1.74 119.26 118.64 6gss h ALA 87 Ca 0.30 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 6gss h ALA 87 Cb -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 6gss h ALA 87 CO -0.09 0.66 -0.17 -0.07 0.00 0.00 0.00 179.25 179.57 6gss h LEU 88 N 1.10 0.90 -0.66 0.00 3.38 -0.67 -1.29 115.31 118.07 6gss h LEU 88 Ca 0.24 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 6gss h LEU 88 Cb 0.32 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 6gss h LEU 88 CO -0.01 1.06 0.37 0.58 0.09 0.00 0.00 178.44 180.53 6gss h VAL 89 N 0.78 1.20 -0.45 1.22 2.07 -0.48 -1.02 116.25 119.57 6gss h VAL 89 Ca 0.11 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 6gss h VAL 89 Cb 0.71 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 6gss h VAL 89 CO 0.05 0.22 0.22 0.44 0.02 0.00 0.00 177.57 178.53 6gss h ASP 90 N 0.90 0.59 -0.81 0.57 3.32 -1.09 -0.38 116.42 119.52 6gss h ASP 90 Ca 0.23 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.16 6gss h ASP 90 Cb 0.02 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 6gss h ASP 90 CO -0.04 0.55 0.52 -0.03 -1.72 0.00 0.00 179.24 178.52 6gss h MET 91 N 0.59 1.09 -0.05 3.56 4.05 -0.79 0.88 114.93 124.26 6gss h MET 91 Ca 0.16 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 6gss h MET 91 Cb 0.11 -0.24 -0.00 0.00 -0.80 0.00 0.00 31.60 30.67 6gss h MET 91 CO -0.02 0.74 -0.04 0.28 0.23 0.00 0.00 176.91 178.10 6gss h VAL 92 N 1.11 1.36 -0.91 -5.77 2.07 -0.85 -2.64 116.25 110.62 6gss h VAL 92 Ca 0.30 -1.13 0.04 0.00 0.82 0.00 0.00 66.70 66.73 6gss h VAL 92 Cb -0.10 2.01 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 6gss h VAL 92 CO -0.06 0.31 0.58 -1.13 0.02 0.00 0.00 177.57 177.29 6gss h ASN 93 N -0.31 0.96 -0.70 0.57 -1.24 -0.67 -0.37 115.58 113.82 6gss h ASN 93 Ca 0.01 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 6gss h ASN 93 Cb 0.51 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.32 6gss h ASN 93 CO 0.01 0.65 0.35 0.44 -1.29 0.00 0.00 177.43 177.59 6gss h ASP 94 N 1.11 0.92 -0.52 1.15 3.32 -0.83 0.62 116.42 122.18 6gss h ASP 94 Ca 0.37 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.25 6gss h ASP 94 Cb 0.05 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 6gss h ASP 94 CO -0.13 0.77 0.04 1.23 -1.72 0.00 0.00 179.24 179.42 6gss h GLY 95 N 1.07 0.97 0.97 2.75 0.00 -0.86 -1.09 103.07 106.87 6gss h GLY 95 Ca 0.25 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 6gss h GLY 95 CO -0.03 0.63 0.22 -2.08 0.00 0.00 0.00 176.54 175.28 6gss h VAL 96 N 0.77 1.14 -0.97 4.60 2.07 -0.47 -2.58 116.25 120.81 6gss h VAL 96 Ca 0.15 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.33 6gss h VAL 96 Cb 0.47 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 6gss h VAL 96 CO 0.02 0.15 0.64 -0.08 0.02 0.00 0.00 177.57 178.32 6gss h GLU 97 N 0.50 1.27 -0.30 1.57 4.57 -0.70 0.88 114.58 122.37 6gss h GLU 97 Ca 0.14 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 6gss h GLU 97 Cb 0.04 -0.29 -0.01 0.00 -0.16 0.00 0.00 28.75 28.33 6gss h GLU 97 CO -0.02 0.84 0.19 -0.44 -1.18 0.00 0.00 179.01 178.39 6gss h ASP 98 N 1.31 0.35 0.17 1.04 3.32 -0.86 -0.72 116.42 121.03 6gss h ASP 98 Ca 0.36 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.25 6gss h ASP 98 Cb -0.13 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 6gss h ASP 98 CO -0.08 0.28 -0.48 0.25 -1.72 0.00 0.00 179.24 177.49 6gss h LEU 99 N 0.39 0.39 -0.74 1.55 5.85 -1.12 -2.88 115.31 118.75 6gss h LEU 99 Ca 0.11 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 6gss h LEU 99 Cb -0.01 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 6gss h LEU 99 CO -0.02 0.81 0.39 -0.09 -0.34 0.00 0.00 178.44 179.18 6gss h ARG 100 N 0.29 1.04 -1.00 1.25 2.43 -0.35 -0.72 114.38 117.32 6gss h ARG 100 Ca 0.02 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.08 6gss h ARG 100 Cb 0.95 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 30.25 6gss h ARG 100 CO 0.08 0.78 0.66 0.00 -1.51 0.00 0.00 179.97 179.98 6gss h LYS 102 N 1.31 0.84 -0.10 0.00 1.57 -1.20 -0.47 116.57 118.52 6gss h LYS 102 Ca 0.38 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 6gss h LYS 102 Cb -0.08 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 6gss h LYS 102 CO -0.10 0.87 0.05 -0.92 -0.57 0.00 0.00 179.45 178.78 6gss h TYR 103 N 0.70 0.13 -0.75 -1.35 5.03 -0.28 -0.39 116.97 120.06 6gss h TYR 103 Ca 0.14 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.46 6gss h TYR 103 Cb 0.47 -0.04 -0.04 0.00 1.55 0.00 0.00 36.73 38.67 6gss h TYR 103 CO 0.04 0.16 0.49 0.82 -1.32 0.00 0.00 178.16 178.35 6gss h ILE 104 N 0.07 1.18 -0.35 1.81 2.04 -0.65 -0.47 117.51 121.14 6gss h ILE 104 Ca 0.03 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.55 6gss h ILE 104 Cb 0.07 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 6gss h ILE 104 CO -0.01 0.18 0.23 -1.28 0.00 0.00 0.00 178.15 177.27 6gss h SER 105 N 1.00 0.41 0.49 1.72 0.87 -0.80 -0.97 113.55 116.27 6gss h SER 105 Ca 0.28 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 6gss h SER 105 Cb -0.09 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 6gss h SER 105 CO -0.07 0.31 -0.35 0.25 -0.53 0.00 0.00 176.83 176.44 6gss h LEU 106 N 0.47 -0.89 -0.72 2.23 5.85 -0.36 0.47 115.31 122.35 6gss h LEU 106 Ca 0.13 0.06 0.12 0.00 0.84 0.00 0.00 57.88 59.03 6gss h LEU 106 Cb -0.04 0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.18 6gss h LEU 106 CO -0.03 -0.52 0.30 0.40 -0.34 0.00 0.00 178.44 178.24 6gss h ILE 107 N -0.82 0.71 0.00 4.05 1.08 -0.90 -1.42 117.51 120.21 6gss h ILE 107 Ca -0.05 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 6gss h ILE 107 Cb 0.68 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 6gss h ILE 107 CO 0.03 0.08 -1.32 -1.22 -0.69 0.00 0.00 178.15 175.03 6gss n TYR 108 N -4.98 0.03 -0.11 1.37 4.01 -0.39 -4.47 117.16 112.62 6gss n TYR 108 Ca 0.13 0.01 -0.24 0.00 -0.16 0.00 0.00 57.90 57.64 6gss n TYR 108 Cb 0.36 -0.21 -0.08 0.00 -0.31 0.00 0.00 39.34 39.11 6gss n TYR 108 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 6gss n THR 109 N -1.79 1.33 -2.86 -0.72 -1.04 0.16 -4.93 114.28 104.44 6gss n THR 109 Ca 0.01 -0.27 -0.12 0.00 -2.04 0.00 0.00 64.05 61.63 6gss n THR 109 Cb 0.42 -1.88 0.03 0.00 -1.82 0.00 0.00 70.33 67.08 6gss n THR 109 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 6gss n ASN 110 N -4.11 -1.96 0.44 8.00 2.04 -0.80 -5.01 115.26 113.86 6gss n ASN 110 Ca -0.43 -3.23 -0.19 0.00 -0.44 0.00 0.00 54.58 50.29 6gss n ASN 110 Cb 0.79 1.20 -0.09 0.00 -2.53 0.00 0.00 39.78 39.15 6gss n ASN 110 CO 0.00 0.00 0.00 0.22 -0.44 0.00 0.00 177.26 177.04 6gss h TYR 111 N 3.78 -1.01 0.18 -2.53 5.03 -1.51 0.36 116.97 121.26 6gss h TYR 111 Ca -0.08 -0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.22 6gss h TYR 111 Cb 1.01 0.33 -0.03 0.00 1.55 0.00 0.00 36.73 39.59 6gss h TYR 111 CO 0.16 -0.62 -0.31 0.93 -1.32 0.00 0.00 178.16 177.00 6gss h GLU 112 N -1.10 -0.55 -0.20 1.82 3.07 -1.95 -1.45 114.58 114.22 6gss h GLU 112 Ca -0.11 0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.70 6gss h GLU 112 Cb 0.83 0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.87 6gss h GLU 112 CO 0.18 -0.37 -0.22 0.00 -1.40 0.00 0.00 179.01 177.21 6gss h ALA 113 N 0.06 0.30 -0.00 3.43 0.00 -1.98 -3.35 119.26 117.72 6gss h ALA 113 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.56 6gss h ALA 113 Cb 0.57 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 6gss h ALA 113 CO -0.15 0.25 -0.39 0.41 0.00 0.00 0.00 179.25 179.37 6gss n GLY 114 N 0.21 -1.05 0.32 0.00 0.00 0.11 -4.44 105.19 100.35 6gss n GLY 114 Ca -0.05 -0.35 0.09 0.00 0.00 0.00 0.00 46.02 45.70 6gss n GLY 114 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 6gss h LYS 115 N 0.39 0.66 0.12 1.61 3.64 -1.39 -1.58 116.57 120.01 6gss h LYS 115 Ca 0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 6gss h LYS 115 Cb 0.50 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 6gss h LYS 115 CO 0.00 0.44 -0.06 -0.44 -2.27 0.00 0.00 179.45 177.12 6gss h ASP 116 N 0.68 -0.13 -0.80 4.20 3.32 -1.85 -1.78 116.42 120.06 6gss h ASP 116 Ca 0.50 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 6gss h ASP 116 Cb 0.71 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.26 6gss h ASP 116 CO -0.36 0.15 0.50 0.44 -1.72 0.00 0.00 179.24 178.25 6gss h ASP 117 N -0.42 0.95 0.11 6.45 3.32 -1.77 -1.62 116.42 123.44 6gss h ASP 117 Ca -0.02 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 6gss h ASP 117 Cb 0.35 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.66 6gss h ASP 117 CO 0.03 0.72 -0.05 0.22 -1.72 0.00 0.00 179.24 178.43 6gss h TYR 118 N 1.10 -0.14 -0.46 4.55 5.03 -1.21 -1.63 116.97 124.22 6gss h TYR 118 Ca 0.29 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.58 6gss h TYR 118 Cb -0.07 0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.23 6gss h TYR 118 CO 0.00 -0.01 0.21 0.28 -1.32 0.00 0.00 178.16 177.33 6gss h VAL 119 N -0.24 1.16 -0.72 1.81 2.07 -1.09 -0.94 116.25 118.30 6gss h VAL 119 Ca -0.02 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 6gss h VAL 119 Cb 0.20 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 6gss h VAL 119 CO 0.03 0.18 0.22 0.11 0.02 0.00 0.00 177.57 178.13 6gss h LYS 120 N 0.64 1.12 0.00 1.57 1.57 -0.95 -2.68 116.57 117.83 6gss h LYS 120 Ca 0.16 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 6gss h LYS 120 Cb 0.08 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.23 6gss h LYS 120 CO -0.02 0.96 -0.01 0.00 -0.57 0.00 0.00 179.45 179.81 6gss n ALA 121 N -2.44 2.30 -0.16 3.86 0.00 -0.64 -4.32 120.51 119.11 6gss n ALA 121 Ca 0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 53.44 53.42 6gss n ALA 121 Cb 0.23 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.24 6gss n ALA 121 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 6gss h LEU 122 N 0.00 -0.83 -0.94 0.00 6.46 -0.83 -2.22 115.31 116.95 6gss h LEU 122 Ca 0.00 0.19 0.18 0.00 -0.12 0.00 0.00 57.88 58.13 6gss h LEU 122 Cb 0.73 0.44 -0.11 0.00 -0.73 0.00 0.00 40.66 41.00 6gss h LEU 122 CO 0.00 -0.26 0.53 -0.65 -0.62 0.00 0.00 178.44 177.44 6gss h PRO 123 N -0.12 0.65 -0.37 5.25 0.11 -1.76 0.13 132.00 135.89 6gss h PRO 123 Ca 0.23 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 6gss h PRO 123 Cb 0.49 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 6gss h PRO 123 CO -0.58 0.43 0.04 0.78 -0.21 0.00 0.00 178.00 178.46 6gss h GLY 124 N 0.67 0.59 1.92 -0.55 0.00 -1.70 -1.36 103.07 102.66 6gss h GLY 124 Ca 0.54 -0.33 -0.17 0.00 0.00 0.00 0.00 47.33 47.37 6gss h GLY 124 CO -0.40 0.31 -0.78 1.46 0.00 0.00 0.00 176.54 177.13 6gss h GLN 125 N 0.54 0.07 0.00 4.80 1.08 -0.69 -3.27 115.11 117.64 6gss h GLN 125 Ca 0.12 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 6gss h GLN 125 Cb 0.28 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 6gss h GLN 125 CO 0.00 0.82 -0.62 -0.07 -0.95 0.00 0.00 178.83 178.01 6gss h LEU 126 N 0.04 0.00 -0.67 1.46 3.38 -0.63 -3.38 115.31 115.52 6gss h LEU 126 Ca -0.02 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.04 6gss h LEU 126 Cb 1.38 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.06 6gss h LEU 126 CO 0.11 0.20 0.31 0.50 0.09 0.00 0.00 178.44 179.65 6gss h LYS 127 N 0.00 0.51 -0.96 1.13 3.64 -1.31 -2.34 116.57 117.25 6gss h LYS 127 Ca -0.03 -0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.49 6gss h LYS 127 Cb 1.18 -0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.80 6gss h LYS 127 CO 0.02 0.34 0.60 -1.35 -2.27 0.00 0.00 179.45 176.80 6gss h PRO 128 N 0.53 0.72 -0.08 1.90 0.11 -1.77 -0.00 132.00 133.40 6gss h PRO 128 Ca 0.33 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.23 6gss h PRO 128 Cb 0.36 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 6gss h PRO 128 CO -0.28 0.47 -0.68 0.74 -0.21 0.00 0.00 178.00 178.05 6gss h PHE 129 N 0.74 0.47 -0.64 0.65 0.04 -1.69 -0.41 116.94 116.09 6gss h PHE 129 Ca 0.51 -0.20 -0.08 0.00 2.80 0.00 0.00 57.97 60.99 6gss h PHE 129 Cb 0.80 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.85 6gss h PHE 129 CO -0.00 0.93 0.07 1.49 -0.60 0.00 0.00 178.31 180.19 6gss h GLU 130 N 0.25 1.09 -0.18 1.51 4.57 -1.04 -1.73 114.58 119.04 6gss h GLU 130 Ca -0.02 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 57.83 6gss h GLU 130 Cb 1.23 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 6gss h GLU 130 CO 0.11 1.02 0.05 1.15 -1.18 0.00 0.00 179.01 180.16 6gss h THR 131 N 1.00 1.20 -0.60 0.32 2.02 -0.77 -0.72 112.91 115.35 6gss h THR 131 Ca 0.19 -0.62 0.05 0.00 0.77 0.00 0.00 66.41 66.80 6gss h THR 131 Cb 0.48 1.26 -0.05 0.00 -1.74 0.00 0.00 68.15 68.10 6gss h THR 131 CO 0.02 0.19 0.32 -0.07 0.37 0.00 0.00 175.52 176.35 6gss h LEU 132 N 0.12 0.48 -0.34 2.58 3.38 -0.92 -1.96 115.31 118.64 6gss h LEU 132 Ca 0.06 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 6gss h LEU 132 Cb 0.25 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 6gss h LEU 132 CO -0.00 0.32 0.20 0.25 0.09 0.00 0.00 178.44 179.29 6gss h LEU 133 N 0.61 0.41 -1.82 1.67 5.85 -1.12 -2.50 115.31 118.40 6gss h LEU 133 Ca 0.27 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 6gss h LEU 133 Cb 0.16 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 6gss h LEU 133 CO -0.17 0.35 0.07 0.77 -0.34 0.00 0.00 178.44 179.12 6gss h SER 134 N 0.43 0.16 0.15 1.25 4.64 -0.58 0.11 113.55 119.71 6gss h SER 134 Ca 0.12 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 6gss h SER 134 Cb 0.02 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 6gss h SER 134 CO -0.02 0.14 -0.03 0.00 -0.87 0.00 0.00 176.83 176.05 6gss n GLN 135 N -4.49 1.01 -3.88 4.77 6.02 -0.79 -3.49 117.38 116.53 6gss n GLN 135 Ca -0.01 -0.28 -0.33 0.00 -0.01 0.00 0.00 57.00 56.37 6gss n GLN 135 Cb 0.10 -1.49 -0.13 0.00 1.02 0.00 0.00 30.24 29.74 6gss n GLN 135 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 6gss s ASN 136 N -2.18 4.79 -1.58 1.08 2.47 -0.43 -4.77 114.94 114.32 6gss s ASN 136 Ca 0.39 -2.63 -0.13 0.00 0.42 0.00 0.00 52.86 50.90 6gss s ASN 136 Cb 0.21 -1.72 0.10 0.00 -1.45 0.00 0.00 41.25 38.39 6gss s ASN 136 CO 0.40 -0.35 0.80 0.00 -3.72 0.00 0.00 177.10 174.23 6gss n GLN 137 N 3.69 -4.11 -2.38 0.43 6.02 -1.26 -0.96 117.38 118.81 6gss n GLN 137 Ca 0.04 0.47 -0.19 0.00 -0.01 0.00 0.00 57.00 57.31 6gss n GLN 137 Cb 0.37 -5.15 -0.01 0.00 1.02 0.00 0.00 30.24 26.47 6gss n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 6gss n GLY 138 N -1.60 -0.41 2.34 1.08 0.00 -1.23 -2.13 105.19 103.24 6gss n GLY 138 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 6gss n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 6gss n GLY 139 N -0.96 0.23 0.12 -0.02 0.00 0.25 -4.82 105.19 99.99 6gss n GLY 139 Ca -0.23 -0.23 0.06 0.00 0.00 0.00 0.00 46.02 45.61 6gss n GLY 139 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 6gss h LYS 140 N 0.00 0.00 0.00 1.61 1.79 -1.55 -3.45 116.57 114.97 6gss h LYS 140 Ca -0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 6gss h LYS 140 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 6gss h LYS 140 CO 0.45 0.18 0.00 0.25 -1.08 0.00 0.00 179.45 179.25 6gss n THR 141 N -2.86 0.00 -4.15 -0.16 -2.24 -1.26 -5.10 114.28 98.51 6gss n THR 141 Ca -0.04 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.48 6gss n THR 141 Cb 0.69 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.90 6gss n THR 141 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 6gss n PHE 142 N 0.00 -0.05 -0.01 4.78 3.72 -1.25 -5.01 117.46 119.63 6gss n PHE 142 Ca 0.00 -2.22 -0.02 0.00 -0.05 0.00 0.00 57.45 55.16 6gss n PHE 142 Cb 0.00 -0.38 0.25 0.00 -0.94 0.00 0.00 39.48 38.41 6gss n PHE 142 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 6gss h ILE 143 N 0.85 1.22 -3.42 4.37 6.09 -1.96 -3.42 117.51 121.25 6gss h ILE 143 Ca -0.35 -0.95 -0.35 0.00 -1.37 0.00 0.00 64.86 61.84 6gss h ILE 143 Cb 1.19 1.06 -0.36 0.00 0.47 0.00 0.00 36.82 39.17 6gss h ILE 143 CO 0.56 0.32 -0.74 -0.69 -3.07 0.00 0.00 178.15 174.52 6gss s VAL 144 N -4.83 0.07 0.00 2.19 1.01 -1.26 -4.66 120.40 112.92 6gss s VAL 144 Ca -0.08 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.12 6gss s VAL 144 Cb 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.30 6gss s VAL 144 CO 0.78 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.64 6gss n GLY 145 N 4.60 -0.67 0.33 4.51 0.00 -1.26 -4.40 105.19 108.31 6gss n GLY 145 Ca -0.18 -1.14 0.05 0.00 0.00 0.00 0.00 46.02 44.76 6gss n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 6gss n ASP 146 N -1.11 2.65 -4.18 1.61 5.75 -1.26 -3.90 116.55 116.10 6gss n ASP 146 Ca 0.00 -2.43 -0.19 0.00 -0.01 0.00 0.00 54.79 52.17 6gss n ASP 146 Cb 0.00 -0.25 -0.12 0.00 -1.03 0.00 0.00 41.12 39.72 6gss n ASP 146 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 6gss s GLN 147 N -1.75 0.84 0.50 0.11 -2.07 -1.26 -4.88 119.66 111.15 6gss s GLN 147 Ca 0.21 -0.97 -0.21 0.00 -1.82 0.00 0.00 55.36 52.56 6gss s GLN 147 Cb 0.15 -0.87 -0.07 0.00 -1.09 0.00 0.00 33.01 31.13 6gss s GLN 147 CO 0.06 0.19 1.16 -1.50 -1.32 0.00 0.00 175.29 173.89 6gss s ILE 148 N -1.26 3.05 0.29 3.63 2.07 -1.26 -4.82 121.20 122.89 6gss s ILE 148 Ca -0.01 0.74 0.03 0.00 -1.41 0.00 0.00 60.65 59.99 6gss s ILE 148 Cb -0.10 -3.35 -0.06 0.00 0.13 0.00 0.00 42.46 39.09 6gss s ILE 148 CO 0.02 -0.06 0.06 -0.94 -1.91 0.00 0.00 174.94 172.11 6gss s SER 149 N -1.49 1.88 0.51 4.50 1.04 -1.26 -4.63 113.70 114.25 6gss s SER 149 Ca 0.68 -1.35 0.19 0.00 0.48 0.00 0.00 55.95 55.94 6gss s SER 149 Cb -0.28 0.01 1.30 0.00 0.10 0.00 0.00 66.02 67.16 6gss s SER 149 CO 0.33 -0.63 2.12 2.19 0.98 0.00 0.00 173.24 178.23 6gss h PHE 150 N 2.27 0.00 -0.17 5.02 -5.15 -1.48 -1.04 116.94 116.39 6gss h PHE 150 Ca -0.39 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.33 6gss h PHE 150 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.40 6gss h PHE 150 CO 0.54 0.06 -0.08 0.00 -2.00 0.00 0.00 178.31 176.82 6gss h ALA 151 N 1.94 1.55 -0.39 12.09 0.00 -1.87 -2.51 119.26 130.07 6gss h ALA 151 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 6gss h ALA 151 Cb 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 6gss h ALA 151 CO 0.01 0.33 0.21 -0.44 0.00 0.00 0.00 179.25 179.35 6gss h ASP 152 N 0.25 0.49 -0.59 0.00 3.32 -1.59 0.80 116.42 119.10 6gss h ASP 152 Ca 0.05 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 6gss h ASP 152 Cb 0.31 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 6gss h ASP 152 CO 0.02 0.44 0.05 1.88 -1.72 0.00 0.00 179.24 179.91 6gss h TYR 153 N 0.50 1.10 -0.36 4.55 0.05 -1.53 0.16 116.97 121.45 6gss h TYR 153 Ca 0.14 -0.16 -0.07 0.00 0.05 0.00 0.00 58.73 58.69 6gss h TYR 153 Cb 0.07 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.50 6gss h TYR 153 CO -0.02 0.95 -0.04 -0.97 -1.05 0.00 0.00 178.16 177.03 6gss h ASN 154 N 0.95 0.65 -0.52 3.88 -1.24 -1.16 -1.45 115.58 116.68 6gss h ASN 154 Ca 0.18 -0.33 -0.07 0.00 0.71 0.00 0.00 56.30 56.78 6gss h ASN 154 Cb 0.48 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.34 6gss h ASN 154 CO 0.02 0.83 0.04 0.25 -1.29 0.00 0.00 177.43 177.28 6gss h LEU 155 N 0.46 0.87 -0.27 0.34 5.85 -0.65 -1.46 115.31 120.45 6gss h LEU 155 Ca 0.10 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.56 6gss h LEU 155 Cb 0.52 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 6gss h LEU 155 CO 0.03 0.95 0.07 0.25 -0.34 0.00 0.00 178.44 179.39 6gss h LEU 156 N 0.77 0.04 -0.24 2.25 5.85 -0.51 -0.23 115.31 123.25 6gss h LEU 156 Ca 0.15 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.94 6gss h LEU 156 Cb 0.48 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 6gss h LEU 156 CO 0.02 0.06 0.06 -0.78 -0.34 0.00 0.00 178.44 177.46 6gss h ASP 157 N 0.17 0.05 -0.80 1.25 3.58 -1.07 -0.10 116.42 119.50 6gss h ASP 157 Ca 0.12 0.03 0.09 0.00 0.42 0.00 0.00 57.03 57.69 6gss h ASP 157 Cb 0.11 0.03 -0.07 0.00 1.72 0.00 0.00 39.33 41.12 6gss h ASP 157 CO -0.15 0.06 0.46 0.25 -2.88 0.00 0.00 179.24 176.98 6gss h LEU 158 N 0.16 0.66 -0.32 2.28 5.85 -0.67 -1.02 115.31 122.25 6gss h LEU 158 Ca 0.11 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 6gss h LEU 158 Cb 0.09 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 6gss h LEU 158 CO -0.13 0.38 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.15 6gss h LEU 159 N 0.78 0.68 -0.51 2.25 3.38 -0.48 -2.53 115.31 118.89 6gss h LEU 159 Ca 0.38 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 6gss h LEU 159 Cb 0.33 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 6gss h LEU 159 CO -0.24 0.93 0.29 -0.07 0.09 0.00 0.00 178.44 179.44 6gss h LEU 160 N 0.43 0.63 -1.29 1.67 3.38 -0.52 -1.28 115.31 118.33 6gss h LEU 160 Ca 0.07 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 6gss h LEU 160 Cb 0.66 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 6gss h LEU 160 CO 0.04 0.53 -0.24 0.16 0.09 0.00 0.00 178.44 179.02 6gss h ILE 161 N 0.68 0.66 0.00 1.22 3.07 -1.20 -2.28 117.51 119.66 6gss h ILE 161 Ca 0.18 -1.06 -0.16 0.00 1.55 0.00 0.00 64.86 65.37 6gss h ILE 161 Cb 0.03 1.69 -0.02 0.00 -0.27 0.00 0.00 36.82 38.24 6gss h ILE 161 CO -0.03 0.23 -0.77 0.45 -1.05 0.00 0.00 178.15 176.98 6gss h HIS 162 N 0.00 0.00 -0.69 0.16 3.86 -0.97 -2.22 115.15 115.28 6gss h HIS 162 Ca -0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 6gss h HIS 162 Cb 0.67 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.11 6gss h HIS 162 CO 0.00 0.77 0.34 0.93 0.86 0.00 0.00 177.93 180.83 6gss h GLU 163 N 0.00 0.97 -0.23 2.45 4.39 -0.67 0.44 114.58 121.94 6gss h GLU 163 Ca -0.01 -0.13 -0.20 0.00 0.34 0.00 0.00 59.36 59.36 6gss h GLU 163 Cb 1.49 -0.18 0.01 0.00 -0.10 0.00 0.00 28.75 29.96 6gss h GLU 163 CO 0.10 0.75 -0.66 0.28 -1.16 0.00 0.00 179.01 178.32 6gss h VAL 164 N 0.97 1.27 -0.11 3.13 2.07 -1.39 -2.20 116.25 119.99 6gss h VAL 164 Ca 0.24 -1.84 -0.04 0.00 0.82 0.00 0.00 66.70 65.87 6gss h VAL 164 Cb 0.09 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 6gss h VAL 164 CO -0.03 0.59 -0.09 0.25 0.02 0.00 0.00 177.57 178.31 6gss h LEU 165 N 0.61 0.28 -6.71 2.57 5.85 -0.78 -3.39 115.31 113.74 6gss h LEU 165 Ca -0.02 -0.46 -0.60 0.00 0.84 0.00 0.00 57.88 57.64 6gss h LEU 165 Cb 1.28 -0.08 -0.40 0.00 0.37 0.00 0.00 40.66 41.83 6gss h LEU 165 CO 0.14 0.68 -0.80 0.00 -0.34 0.00 0.00 178.44 178.12 6gss s ALA 166 N -4.39 2.33 0.08 1.25 0.00 0.15 -5.09 121.76 116.10 6gss s ALA 166 Ca -0.15 -2.94 -0.37 0.00 0.00 0.00 0.00 51.96 48.51 6gss s ALA 166 Cb 0.04 -1.83 -0.16 0.00 0.00 0.00 0.00 23.12 21.17 6gss s ALA 166 CO 0.73 -2.03 1.37 -2.30 0.00 0.00 0.00 175.76 173.53 6gss n PRO 167 N 2.68 1.24 -0.62 0.00 -0.02 -0.83 -1.11 135.00 136.35 6gss n PRO 167 Ca 0.23 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 6gss n PRO 167 Cb 0.41 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 6gss n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 6gss n GLY 168 N 2.64 1.00 0.33 -1.23 0.00 -1.26 -4.92 105.19 101.75 6gss n GLY 168 Ca 0.18 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.39 6gss n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 6gss n LEU 170 N -3.44 1.32 -0.24 0.00 4.32 -1.26 -4.22 117.00 113.48 6gss n LEU 170 Ca -0.01 -0.41 0.03 0.00 -0.02 0.00 0.00 56.01 55.60 6gss n LEU 170 Cb 0.25 -0.04 0.26 0.00 -1.62 0.00 0.00 43.42 42.27 6gss n LEU 170 CO 0.23 0.23 1.24 0.44 -1.22 0.00 0.00 177.39 178.31 6gss h ASP 171 N 1.94 0.84 0.39 -1.43 3.32 -1.37 -1.30 116.42 118.82 6gss h ASP 171 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 6gss h ASP 171 Cb 0.50 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.86 6gss h ASP 171 CO 0.00 0.57 0.00 0.00 -1.72 0.00 0.00 179.24 178.09 6gss n ALA 172 N -2.42 2.36 -3.89 3.45 0.00 -1.26 -4.46 120.51 114.29 6gss n ALA 172 Ca 0.11 -0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 6gss n ALA 172 Cb 0.13 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.02 6gss n ALA 172 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 6gss s PHE 173 N -2.45 3.00 0.24 0.00 0.08 -0.49 -4.98 117.98 113.39 6gss s PHE 173 Ca 0.28 -3.06 -0.04 0.00 0.12 0.00 0.00 56.93 54.23 6gss s PHE 173 Cb 0.18 -2.60 0.45 0.00 -0.57 0.00 0.00 43.02 40.47 6gss s PHE 173 CO 0.38 -0.71 1.74 -1.00 -0.10 0.00 0.00 175.22 175.53 6gss h PRO 174 N 6.32 0.48 -0.24 0.24 0.13 -1.78 -0.86 132.00 136.30 6gss h PRO 174 Ca -0.02 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.01 6gss h PRO 174 Cb 0.87 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 6gss h PRO 174 CO 0.65 0.32 -0.12 -0.07 -0.23 0.00 0.00 178.00 178.56 6gss h LEU 175 N 0.50 0.52 -0.68 1.56 4.07 -1.93 -1.76 115.31 117.58 6gss h LEU 175 Ca 0.41 -0.41 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 6gss h LEU 175 Cb 0.58 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.15 6gss h LEU 175 CO -0.37 0.81 0.25 -0.07 -1.08 0.00 0.00 178.44 177.98 6gss h LEU 176 N 0.22 0.96 -0.10 1.67 3.38 -1.82 0.46 115.31 120.08 6gss h LEU 176 Ca 0.05 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 6gss h LEU 176 Cb 0.62 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 6gss h LEU 176 CO 0.04 0.89 0.06 0.28 0.09 0.00 0.00 178.44 179.79 6gss h SER 177 N 0.97 0.12 -0.67 -0.43 0.02 -1.13 0.18 113.55 112.62 6gss h SER 177 Ca 0.22 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 6gss h SER 177 Cb 0.25 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 6gss h SER 177 CO -0.01 0.13 0.21 0.00 -1.14 0.00 0.00 176.83 176.02 6gss h ALA 178 N 0.99 1.07 -0.13 3.77 0.00 -1.12 -1.89 119.26 121.96 6gss h ALA 178 Ca 0.04 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.74 6gss h ALA 178 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 6gss h ALA 178 CO -0.01 0.63 0.04 -0.92 0.00 0.00 0.00 179.25 178.99 6gss h TYR 179 N 1.02 0.07 -0.28 0.00 3.20 -0.52 0.99 116.97 121.44 6gss h TYR 179 Ca 0.22 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 6gss h TYR 179 Cb 0.29 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 6gss h TYR 179 CO 0.02 0.03 0.17 0.28 -1.64 0.00 0.00 178.16 177.03 6gss h VAL 180 N 0.10 1.10 -0.90 1.81 2.07 -0.73 -0.62 116.25 119.08 6gss h VAL 180 Ca 0.06 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.36 6gss h VAL 180 Cb 0.04 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 6gss h VAL 180 CO -0.07 0.09 0.56 1.23 0.02 0.00 0.00 177.57 179.41 6gss h GLY 181 N 0.36 1.28 0.76 2.17 0.00 -1.05 0.50 103.07 107.10 6gss h GLY 181 Ca 0.10 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 6gss h GLY 181 CO -0.02 0.50 -0.01 -0.09 0.00 0.00 0.00 176.54 176.91 6gss h ARG 182 N 1.22 0.25 -0.21 4.80 2.43 -0.50 -2.61 114.38 119.76 6gss h ARG 182 Ca 0.32 -0.09 -0.14 0.00 -0.81 0.00 0.00 59.98 59.27 6gss h ARG 182 Cb -0.09 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 6gss h ARG 182 CO -0.07 0.51 -0.46 -0.07 -1.51 0.00 0.00 179.97 178.37 6gss h LEU 183 N -0.03 0.56 -1.56 3.80 3.38 -0.94 -2.74 115.31 117.77 6gss h LEU 183 Ca 0.04 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.74 6gss h LEU 183 Cb 0.40 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.99 6gss h LEU 183 CO 0.01 0.94 0.00 0.28 0.09 0.00 0.00 178.44 179.76 6gss h SER 184 N 0.42 0.00 0.37 -0.43 0.02 -0.85 -2.57 113.55 110.50 6gss h SER 184 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 6gss h SER 184 Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 6gss h SER 184 CO 0.09 0.00 -0.33 0.00 -1.14 0.00 0.00 176.83 175.44 6gss n ALA 185 N -1.94 3.22 -1.72 3.77 0.00 -0.99 -3.95 120.51 118.91 6gss n ALA 185 Ca -0.00 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 6gss n ALA 185 Cb 0.18 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 6gss n ALA 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 6gss n ARG 186 N -1.02 2.71 -0.12 0.00 1.74 -0.97 -4.77 116.66 114.22 6gss n ARG 186 Ca 0.10 0.97 -0.03 0.00 -0.77 0.00 0.00 57.85 58.12 6gss n ARG 186 Cb 0.34 -2.80 -0.03 0.00 -1.02 0.00 0.00 32.46 28.94 6gss n ARG 186 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 6gss n PRO 187 N 3.66 -0.13 -0.27 5.56 -0.02 -1.26 0.24 135.00 142.77 6gss n PRO 187 Ca 0.15 1.10 -0.04 0.00 -2.02 0.00 0.00 63.50 62.68 6gss n PRO 187 Cb 0.34 -1.63 0.11 0.00 -0.02 0.00 0.00 33.50 32.30 6gss n PRO 187 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 6gss h LYS 188 N 0.00 1.14 -0.47 -0.52 1.57 -1.90 -1.94 116.57 114.45 6gss h LYS 188 Ca 0.05 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.51 6gss h LYS 188 Cb 0.12 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 6gss h LYS 188 CO -0.27 0.89 -0.23 1.25 -0.57 0.00 0.00 179.45 180.52 6gss h LEU 189 N 1.13 1.02 -0.29 2.94 5.85 -1.71 -1.77 115.31 122.48 6gss h LEU 189 Ca 0.27 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 6gss h LEU 189 Cb 0.15 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 6gss h LEU 189 CO -0.03 1.20 0.18 0.50 -0.34 0.00 0.00 178.44 179.95 6gss h LYS 190 N 0.85 0.39 -0.30 1.25 3.64 0.08 0.22 116.57 122.70 6gss h LYS 190 Ca 0.11 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 6gss h LYS 190 Cb 0.81 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 6gss h LYS 190 CO 0.07 0.30 0.16 0.00 -2.27 0.00 0.00 179.45 177.71 6gss h ALA 191 N 1.08 0.37 -0.41 5.00 0.00 -1.24 -2.58 119.26 121.47 6gss h ALA 191 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 6gss h ALA 191 Cb -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 6gss h ALA 191 CO -0.02 -0.22 0.24 0.35 0.00 0.00 0.00 179.25 179.60 6gss h PHE 192 N 0.34 0.55 0.00 0.00 3.57 -0.96 -2.22 116.94 118.22 6gss h PHE 192 Ca 0.12 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 6gss h PHE 192 Cb 0.02 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 6gss h PHE 192 CO -0.09 0.40 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.29 6gss h LEU 193 N 0.54 0.00 0.00 0.59 3.38 -0.78 -1.97 115.31 117.07 6gss h LEU 193 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 6gss h LEU 193 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 6gss h LEU 193 CO -0.03 0.03 -0.83 0.00 0.09 0.00 0.00 178.44 177.71 6gss n ALA 194 N -2.16 3.93 -1.67 1.53 0.00 -0.96 -4.43 120.51 116.76 6gss n ALA 194 Ca -0.02 -0.45 -0.33 0.00 0.00 0.00 0.00 53.44 52.64 6gss n ALA 194 Cb 0.18 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 18.68 6gss n ALA 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 6gss s SER 195 N -3.26 5.80 0.31 0.00 1.04 -0.74 -4.81 113.70 112.04 6gss s SER 195 Ca 0.08 1.83 0.01 0.00 0.48 0.00 0.00 55.95 58.35 6gss s SER 195 Cb 0.16 -2.54 0.56 0.00 0.10 0.00 0.00 66.02 64.30 6gss s SER 195 CO 0.79 -1.16 1.93 -0.65 0.98 0.00 0.00 173.24 175.13 6gss h PRO 196 N 0.50 0.96 -0.98 4.02 0.11 -1.93 0.50 132.00 135.19 6gss h PRO 196 Ca -0.47 -0.06 0.23 0.00 0.11 0.00 0.00 66.00 65.81 6gss h PRO 196 Cb 1.22 -0.22 -0.08 0.00 0.11 0.00 0.00 31.00 32.03 6gss h PRO 196 CO 0.57 0.64 0.63 1.49 -0.21 0.00 0.00 178.00 181.12 6gss h GLU 197 N 0.99 0.44 0.00 1.05 4.81 -1.92 0.54 114.58 120.49 6gss h GLU 197 Ca 0.36 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.44 6gss h GLU 197 Cb 0.16 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 6gss h GLU 197 CO -0.13 0.29 -1.35 0.98 -0.73 0.00 0.00 179.01 178.08 6gss n TYR 198 N -4.59 0.16 -0.29 0.92 9.36 -0.71 -4.51 117.16 117.50 6gss n TYR 198 Ca 0.22 0.07 0.09 0.00 3.32 0.00 0.00 57.90 61.60 6gss n TYR 198 Cb 0.75 -0.69 0.32 0.00 -0.63 0.00 0.00 39.34 39.09 6gss n TYR 198 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 6gss h VAL 199 N -1.00 0.92 -0.26 2.97 2.07 -0.92 -2.39 116.25 117.64 6gss h VAL 199 Ca -0.20 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.04 6gss h VAL 199 Cb 1.11 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 6gss h VAL 199 CO -0.12 0.15 0.00 0.59 0.02 0.00 0.00 177.57 178.21 6gss n ASN 200 N -4.55 2.05 -4.62 0.57 3.02 0.18 -4.81 115.26 107.10 6gss n ASN 200 Ca 0.16 -2.15 -0.34 0.00 -0.03 0.00 0.00 54.58 52.22 6gss n ASN 200 Cb 0.37 -0.35 -0.10 0.00 -0.61 0.00 0.00 39.78 39.09 6gss n ASN 200 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 6gss s LEU 201 N -1.03 3.51 0.52 3.41 2.96 -0.90 -5.04 118.68 122.11 6gss s LEU 201 Ca 0.20 0.06 -0.20 0.00 -0.22 0.00 0.00 54.13 53.97 6gss s LEU 201 Cb 0.12 -1.82 -0.07 0.00 0.50 0.00 0.00 46.19 44.92 6gss s LEU 201 CO 0.10 0.29 1.11 -2.16 -1.32 0.00 0.00 176.35 174.37 6gss s PRO 202 N -0.38 3.52 0.07 0.98 0.04 -1.26 -4.71 135.00 133.26 6gss s PRO 202 Ca 0.07 1.55 -0.23 0.00 0.04 0.00 0.00 61.00 62.44 6gss s PRO 202 Cb -0.12 -2.07 -0.14 0.00 0.04 0.00 0.00 34.50 32.21 6gss s PRO 202 CO 0.02 -0.70 1.61 0.82 0.04 0.00 0.00 177.00 178.79 6gss h ILE 203 N 1.36 1.13 -1.81 0.56 2.04 -1.95 -0.06 117.51 118.79 6gss h ILE 203 Ca -0.50 -0.40 -0.61 0.00 1.00 0.00 0.00 64.86 64.36 6gss h ILE 203 Cb 1.25 1.28 -0.12 0.00 -0.74 0.00 0.00 36.82 38.49 6gss h ILE 203 CO 0.58 0.11 -0.62 0.20 0.00 0.00 0.00 178.15 178.42 6gss s ASN 204 N -5.43 3.97 0.25 1.72 0.01 -1.26 -0.62 114.94 113.59 6gss s ASN 204 Ca -0.14 -1.18 0.26 0.00 -0.71 0.00 0.00 52.86 51.09 6gss s ASN 204 Cb 0.06 -0.43 0.77 0.00 0.41 0.00 0.00 41.25 42.05 6gss s ASN 204 CO 0.68 -0.33 1.75 1.23 -1.51 0.00 0.00 177.10 178.93 6gss h GLY 205 N 1.82 0.00 -2.62 0.66 0.00 -1.89 -3.29 103.07 97.75 6gss h GLY 205 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 6gss h GLY 205 CO 0.73 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.43 6gss n ASN 206 N -2.39 4.11 0.00 0.19 6.94 -1.26 -4.94 115.26 117.91 6gss n ASN 206 Ca 0.05 -2.18 0.00 0.00 -0.02 0.00 0.00 54.58 52.43 6gss n ASN 206 Cb 0.43 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 6gss n ASN 206 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 6gss n GLY 207 N 1.28 1.41 3.86 4.83 0.00 -1.24 -5.00 105.19 110.32 6gss n GLY 207 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 6gss n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 6gss s LYS 208 N -0.11 3.88 0.00 1.61 1.02 -1.26 -5.01 119.74 119.87 6gss s LYS 208 Ca 0.00 0.36 0.00 0.00 0.02 0.00 0.00 55.97 56.35 6gss s LYS 208 Cb 0.00 -2.92 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 6gss s LYS 208 CO 0.00 0.48 0.00 0.00 -0.92 0.00 0.00 175.35 174.91