#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 10gs s TYR 3 N 0.00 2.83 -0.08 0.54 2.02 -1.26 -2.14 117.35 119.26 10gs s TYR 3 Ca 0.00 -0.10 -0.03 0.00 -0.37 0.00 0.00 57.07 56.57 10gs s TYR 3 Cb 0.00 -1.50 0.04 0.00 -0.40 0.00 0.00 41.96 40.10 10gs s TYR 3 CO 0.00 0.42 0.15 0.99 -1.57 0.00 0.00 175.55 175.54 10gs s THR 4 N -1.16 -0.19 -0.20 -0.71 2.01 -0.63 -0.91 115.64 113.85 10gs s THR 4 Ca 0.21 0.30 -0.03 0.00 0.31 0.00 0.00 61.69 62.48 10gs s THR 4 Cb -0.11 -0.27 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 10gs s THR 4 CO 0.13 0.13 -0.05 0.68 -0.69 0.00 0.00 174.62 174.81 10gs s VAL 5 N 1.94 3.41 -0.28 3.82 -7.23 -0.27 -1.08 120.40 120.70 10gs s VAL 5 Ca -0.01 -0.49 -0.10 0.00 -1.81 0.00 0.00 61.98 59.57 10gs s VAL 5 Cb -0.12 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 10gs s VAL 5 CO -0.06 0.45 0.15 -0.69 -0.31 0.00 0.00 175.10 174.64 10gs s VAL 6 N 1.16 4.87 0.26 1.32 1.01 0.05 -1.08 120.40 127.99 10gs s VAL 6 Ca 0.02 -0.09 -0.22 0.00 0.00 0.00 0.00 61.98 61.69 10gs s VAL 6 Cb -0.14 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 32.90 10gs s VAL 6 CO -0.01 0.21 0.76 -0.47 0.00 0.00 0.00 175.10 175.59 10gs s TYR 7 N 1.68 -0.18 0.76 5.22 5.04 -0.97 -1.91 117.35 126.99 10gs s TYR 7 Ca 0.06 -0.25 -0.11 0.00 -2.44 0.00 0.00 57.07 54.33 10gs s TYR 7 Cb -0.16 0.70 0.05 0.00 0.35 0.00 0.00 41.96 42.89 10gs s TYR 7 CO 0.08 -1.16 1.08 -0.06 -1.34 0.00 0.00 175.55 174.14 10gs s PHE 8 N -3.81 2.88 -0.86 4.97 0.08 -1.26 -1.36 117.98 118.62 10gs s PHE 8 Ca 0.11 1.32 -0.07 0.00 0.12 0.00 0.00 56.93 58.42 10gs s PHE 8 Cb -0.05 -3.01 -0.11 0.00 -0.57 0.00 0.00 43.02 39.28 10gs s PHE 8 CO 0.06 -1.59 2.58 -0.35 -0.10 0.00 0.00 175.22 175.82 10gs n PRO 9 N -3.35 2.41 -4.10 0.24 -0.04 -1.26 -4.80 135.00 124.11 10gs n PRO 9 Ca 0.07 -1.47 -0.10 0.00 -0.04 0.00 0.00 63.50 61.96 10gs n PRO 9 Cb 0.55 -2.39 -0.09 0.00 -0.04 0.00 0.00 33.50 31.53 10gs n PRO 9 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 10gs s VAL 10 N 2.48 0.10 -0.07 0.52 -7.23 -1.26 -4.31 120.40 110.63 10gs s VAL 10 Ca 0.52 -1.77 -0.16 0.00 -1.81 0.00 0.00 61.98 58.76 10gs s VAL 10 Cb 0.17 -1.97 -0.12 0.00 0.56 0.00 0.00 36.38 35.02 10gs s VAL 10 CO -0.03 -0.44 0.63 0.03 -0.31 0.00 0.00 175.10 174.98 10gs h ARG 11 N 2.79 -0.23 0.00 4.82 3.08 -1.19 -3.46 114.38 120.20 10gs h ARG 11 Ca -0.34 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.72 10gs h ARG 11 Cb 1.20 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.31 10gs h ARG 11 CO 0.56 0.11 0.00 0.41 -1.07 0.00 0.00 179.97 179.98 10gs n GLY 12 N 0.87 1.75 0.07 0.04 0.00 -0.09 -1.11 105.19 106.73 10gs n GLY 12 Ca -0.06 0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.10 10gs n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 10gs n ARG 13 N 10.35 1.09 0.00 1.61 1.74 -1.26 -3.36 116.66 126.83 10gs n ARG 13 Ca 0.00 -0.14 0.05 0.00 -0.77 0.00 0.00 57.85 56.99 10gs n ARG 13 Cb 0.00 -1.13 -0.04 0.00 -1.02 0.00 0.00 32.46 30.27 10gs n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 10gs h ALA 15 N 1.40 0.11 -0.36 0.00 0.00 -1.39 -0.04 119.26 118.99 10gs h ALA 15 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 10gs h ALA 15 Cb 0.24 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 10gs h ALA 15 CO 0.00 -0.52 0.15 0.00 0.00 0.00 0.00 179.25 178.88 10gs h ALA 16 N 1.17 0.47 0.00 0.00 0.00 -1.83 -1.11 119.26 117.96 10gs h ALA 16 Ca 0.14 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 10gs h ALA 16 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 10gs h ALA 16 CO -0.33 0.07 -0.36 1.37 0.00 0.00 0.00 179.25 180.00 10gs h LEU 17 N 0.44 0.00 -0.18 0.00 8.10 -1.78 -1.11 115.31 120.78 10gs h LEU 17 Ca 0.12 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.97 10gs h LEU 17 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.41 10gs h LEU 17 CO -0.01 0.36 -0.44 0.03 -4.11 0.00 0.00 178.44 174.26 10gs h ARG 18 N 0.00 0.62 -0.73 0.17 3.08 -0.71 -1.93 114.38 114.89 10gs h ARG 18 Ca -0.00 -0.43 -0.03 0.00 0.07 0.00 0.00 59.98 59.59 10gs h ARG 18 Cb 0.66 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 10gs h ARG 18 CO 0.05 1.04 0.33 0.52 -1.07 0.00 0.00 179.97 180.85 10gs h MET 19 N 0.29 1.04 0.06 0.04 2.86 -0.90 -0.23 114.93 118.09 10gs h MET 19 Ca -0.00 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 10gs h MET 19 Cb 1.06 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.53 10gs h MET 19 CO 0.10 0.81 -0.03 1.25 1.06 0.00 0.00 176.91 180.10 10gs h LEU 20 N 1.03 -0.07 -0.32 1.22 6.46 -1.13 -0.30 115.31 122.20 10gs h LEU 20 Ca 0.25 -0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.87 10gs h LEU 20 Cb 0.13 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 10gs h LEU 20 CO -0.03 0.09 0.19 -0.07 -0.62 0.00 0.00 178.44 178.00 10gs h LEU 21 N -0.23 0.39 0.22 2.25 3.38 -1.10 -1.21 115.31 119.01 10gs h LEU 21 Ca -0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 10gs h LEU 21 Cb 0.20 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 10gs h LEU 21 CO 0.01 0.34 -0.12 0.00 0.09 0.00 0.00 178.44 178.77 10gs h ALA 22 N 1.07 -0.31 0.00 1.53 0.00 -0.99 0.73 119.26 121.28 10gs h ALA 22 Ca 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 10gs h ALA 22 Cb 0.03 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 10gs h ALA 22 CO -0.02 -0.68 -0.13 0.22 0.00 0.00 0.00 179.25 178.64 10gs h ASP 23 N -0.32 0.00 -0.13 0.00 3.58 -0.98 -1.48 116.42 117.10 10gs h ASP 23 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 10gs h ASP 23 Cb 0.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.31 10gs h ASP 23 CO 0.04 0.13 0.00 0.00 -2.88 0.00 0.00 179.24 176.53 10gs n GLN 24 N -4.37 1.55 -2.37 0.28 1.13 -0.46 -4.83 117.38 108.30 10gs n GLN 24 Ca -0.03 -0.83 -0.11 0.00 -1.94 0.00 0.00 57.00 54.09 10gs n GLN 24 Cb 0.20 -1.36 0.00 0.00 0.11 0.00 0.00 30.24 29.20 10gs n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 10gs n GLY 25 N 1.04 -0.05 3.90 1.08 0.00 -0.56 -5.02 105.19 105.59 10gs n GLY 25 Ca 0.15 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 10gs n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 10gs s GLN 26 N -4.77 3.53 -0.04 1.61 -1.52 0.22 -5.03 119.66 113.65 10gs s GLN 26 Ca 0.06 -0.24 -0.02 0.00 -1.95 0.00 0.00 55.36 53.21 10gs s GLN 26 Cb -0.03 -2.99 -0.04 0.00 -0.22 0.00 0.00 33.01 29.74 10gs s GLN 26 CO 0.07 0.57 0.10 -1.12 -0.25 0.00 0.00 175.29 174.66 10gs s SER 27 N -2.28 5.87 0.10 5.90 0.01 -1.26 -4.44 113.70 117.60 10gs s SER 27 Ca 0.35 0.25 -0.14 0.00 1.31 0.00 0.00 55.95 57.72 10gs s SER 27 Cb -0.13 -1.76 0.02 0.00 0.21 0.00 0.00 66.02 64.37 10gs s SER 27 CO 0.24 0.32 0.33 -1.66 0.41 0.00 0.00 173.24 172.88 10gs s TRP 28 N -1.13 -0.10 -0.13 2.43 -2.14 -1.26 -4.25 118.94 112.36 10gs s TRP 28 Ca 0.20 -0.20 -0.05 0.00 2.66 0.00 0.00 56.10 58.72 10gs s TRP 28 Cb -0.12 0.15 -0.04 0.00 -3.10 0.00 0.00 33.47 30.36 10gs s TRP 28 CO 0.11 -0.62 0.05 0.21 -2.66 0.00 0.00 176.95 174.03 10gs s LYS 29 N -3.54 3.43 -0.25 3.25 2.47 -0.09 -4.99 119.74 120.02 10gs s LYS 29 Ca 0.02 -0.33 -0.08 0.00 -1.56 0.00 0.00 55.97 54.02 10gs s LYS 29 Cb 0.02 -3.02 -0.04 0.00 -1.46 0.00 0.00 37.83 33.33 10gs s LYS 29 CO -0.10 0.56 0.10 -1.21 0.16 0.00 0.00 175.35 174.87 10gs s GLU 30 N -0.47 3.75 -0.50 4.03 0.41 -1.26 -1.12 118.70 123.54 10gs s GLU 30 Ca 0.10 -0.43 -0.09 0.00 -0.41 0.00 0.00 54.97 54.14 10gs s GLU 30 Cb -0.12 -3.41 0.13 0.00 -1.78 0.00 0.00 34.13 28.95 10gs s GLU 30 CO 0.02 -0.16 0.38 -1.21 -0.49 0.00 0.00 175.26 173.80 10gs s GLU 31 N 1.57 2.55 -0.02 1.61 0.41 -0.24 -4.98 118.70 119.60 10gs s GLU 31 Ca 0.06 -1.86 -0.30 0.00 -0.41 0.00 0.00 54.97 52.47 10gs s GLU 31 Cb -0.15 -3.94 -0.03 0.00 -1.78 0.00 0.00 34.13 28.23 10gs s GLU 31 CO 0.05 -1.20 0.99 0.08 -0.49 0.00 0.00 175.26 174.70 10gs s VAL 32 N 1.20 4.82 -0.19 2.63 1.01 -1.26 -2.30 120.40 126.30 10gs s VAL 32 Ca 0.07 2.03 -0.02 0.00 0.00 0.00 0.00 61.98 64.07 10gs s VAL 32 Cb -0.25 -4.30 -0.00 0.00 0.00 0.00 0.00 36.38 31.83 10gs s VAL 32 CO -0.01 0.13 -0.10 -0.69 0.00 0.00 0.00 175.10 174.42 10gs s VAL 33 N 1.22 2.95 0.58 2.92 1.01 -0.47 -4.95 120.40 123.66 10gs s VAL 33 Ca 0.52 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 10gs s VAL 33 Cb -0.21 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 33.87 10gs s VAL 33 CO 0.26 0.47 0.90 0.42 0.00 0.00 0.00 175.10 177.15 10gs s THR 34 N 1.24 3.88 0.49 3.92 -4.23 -1.26 -3.99 115.64 115.69 10gs s THR 34 Ca 0.03 0.11 0.17 0.00 -1.18 0.00 0.00 61.69 60.81 10gs s THR 34 Cb -0.14 -3.54 0.24 0.00 1.34 0.00 0.00 72.50 70.41 10gs s THR 34 CO -0.04 -0.57 2.09 1.62 -0.54 0.00 0.00 174.62 177.18 10gs h VAL 35 N -0.15 0.99 0.29 2.29 3.04 -1.99 -1.79 116.25 118.93 10gs h VAL 35 Ca -0.46 -0.28 -0.01 0.00 -1.01 0.00 0.00 66.70 64.94 10gs h VAL 35 Cb 1.24 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 10gs h VAL 35 CO 0.61 0.08 -0.14 -0.33 -1.01 0.00 0.00 177.57 176.78 10gs h GLU 36 N 0.00 -0.38 -0.94 4.17 5.08 -1.99 -1.97 114.58 118.56 10gs h GLU 36 Ca -0.00 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 10gs h GLU 36 Cb 0.15 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.41 10gs h GLU 36 CO 0.01 -0.04 0.58 1.15 -1.00 0.00 0.00 179.01 179.71 10gs h THR 37 N -0.81 0.97 -0.46 1.13 2.02 -1.89 -2.32 112.91 111.56 10gs h THR 37 Ca -0.04 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 10gs h THR 37 Cb 0.51 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 10gs h THR 37 CO 0.07 0.18 0.13 -0.25 0.37 0.00 0.00 175.52 176.01 10gs h TRP 38 N 0.98 0.75 0.00 3.16 2.91 -1.32 -2.66 115.95 119.77 10gs h TRP 38 Ca 0.44 -0.08 0.00 0.00 1.13 0.00 0.00 58.89 60.38 10gs h TRP 38 Cb 0.34 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 28.78 10gs h TRP 38 CO -0.02 0.68 0.00 1.04 -1.03 0.00 0.00 178.44 179.11 10gs n GLN 39 N -4.52 0.06 0.21 2.65 6.02 -0.74 -2.07 117.38 118.99 10gs n GLN 39 Ca 0.01 0.32 0.06 0.00 -0.01 0.00 0.00 57.00 57.38 10gs n GLN 39 Cb 0.20 -1.63 0.48 0.00 1.02 0.00 0.00 30.24 30.31 10gs n GLN 39 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 10gs h GLU 40 N 0.00 0.00 0.00 -1.09 4.22 -1.13 -3.48 114.58 113.11 10gs h GLU 40 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 10gs h GLU 40 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 10gs h GLU 40 CO 0.00 0.27 0.00 0.41 -2.18 0.00 0.00 179.01 177.51 10gs n GLY 41 N -0.56 3.07 0.13 1.92 0.00 -0.88 -4.96 105.19 103.92 10gs n GLY 41 Ca -0.02 -0.67 -0.07 0.00 0.00 0.00 0.00 46.02 45.26 10gs n GLY 41 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 10gs h SER 42 N 0.05 -0.22 -0.14 1.61 4.64 -1.86 -2.24 113.55 115.40 10gs h SER 42 Ca 0.00 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 10gs h SER 42 Cb 0.00 0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 10gs h SER 42 CO 0.00 -0.07 0.04 0.25 -0.87 0.00 0.00 176.83 176.18 10gs h LEU 43 N 0.03 0.20 -0.80 5.97 6.46 -1.88 -2.85 115.31 122.44 10gs h LEU 43 Ca 0.14 -0.20 0.12 0.00 -0.12 0.00 0.00 57.88 57.83 10gs h LEU 43 Cb 0.21 -0.05 -0.08 0.00 -0.73 0.00 0.00 40.66 40.00 10gs h LEU 43 CO -0.28 0.34 0.41 0.50 -0.62 0.00 0.00 178.44 178.79 10gs h LYS 44 N 0.04 0.62 -0.06 1.25 3.64 -1.80 -0.98 116.57 119.27 10gs h LYS 44 Ca 0.04 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 10gs h LYS 44 Cb 0.21 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 10gs h LYS 44 CO -0.00 0.41 -0.14 0.00 -2.27 0.00 0.00 179.45 177.45 10gs h ALA 45 N 1.50 1.66 0.00 5.00 0.00 -1.27 -2.30 119.26 123.85 10gs h ALA 45 Ca 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.16 10gs h ALA 45 Cb 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 10gs h ALA 45 CO -0.32 0.26 -0.27 -1.13 0.00 0.00 0.00 179.25 177.79 10gs n SER 46 N -4.33 0.31 -4.71 0.00 3.41 -0.41 -4.83 113.62 103.05 10gs n SER 46 Ca -0.02 0.13 -0.41 0.00 -0.26 0.00 0.00 58.87 58.31 10gs n SER 46 Cb 0.24 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 10gs n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 10gs h LEU 48 N 6.63 -0.80 -3.02 0.00 5.85 -1.88 -0.89 115.31 121.20 10gs h LEU 48 Ca -0.41 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.54 10gs h LEU 48 Cb 1.21 0.50 0.00 0.00 0.37 0.00 0.00 40.66 42.75 10gs h LEU 48 CO 0.75 -0.26 0.00 -1.22 -0.34 0.00 0.00 178.44 177.36 10gs n TYR 49 N -5.50 0.79 -1.88 1.25 4.01 -1.26 -4.96 117.16 109.61 10gs n TYR 49 Ca 0.10 -0.62 -0.12 0.00 -0.16 0.00 0.00 57.90 57.10 10gs n TYR 49 Cb 0.39 -0.14 -0.03 0.00 -0.31 0.00 0.00 39.34 39.26 10gs n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 10gs n GLY 50 N 0.40 0.46 3.21 2.72 0.00 -0.34 -5.01 105.19 106.63 10gs n GLY 50 Ca 0.17 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 10gs n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 10gs s GLN 51 N -3.98 0.98 0.31 1.61 -0.21 -1.26 -4.93 119.66 112.18 10gs s GLN 51 Ca 0.00 -1.33 0.09 0.00 0.02 0.00 0.00 55.36 54.14 10gs s GLN 51 Cb 0.00 0.29 -0.05 0.00 1.00 0.00 0.00 33.01 34.25 10gs s GLN 51 CO 0.00 -0.31 0.05 -0.51 -2.12 0.00 0.00 175.29 172.41 10gs s LEU 52 N -3.01 3.15 0.76 2.90 1.43 -1.26 -4.69 118.68 117.96 10gs s LEU 52 Ca 0.20 -0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 52.39 10gs s LEU 52 Cb 0.06 -1.62 0.05 0.00 0.03 0.00 0.00 46.19 44.71 10gs s LEU 52 CO 0.00 -0.17 1.12 -2.16 0.23 0.00 0.00 176.35 175.37 10gs s PRO 53 N -3.75 2.20 -0.02 1.29 0.04 -1.26 -4.98 135.00 128.53 10gs s PRO 53 Ca 0.35 1.38 0.06 0.00 0.04 0.00 0.00 61.00 62.82 10gs s PRO 53 Cb -0.03 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 10gs s PRO 53 CO 0.21 -1.72 -0.20 0.21 0.04 0.00 0.00 177.00 175.54 10gs s LYS 54 N -4.49 1.69 0.05 4.56 2.20 -0.80 -4.00 119.74 118.95 10gs s LYS 54 Ca 0.66 -0.73 0.04 0.00 -0.36 0.00 0.00 55.97 55.57 10gs s LYS 54 Cb -0.21 -1.62 -0.02 0.00 -1.51 0.00 0.00 37.83 34.47 10gs s LYS 54 CO 0.51 0.43 -0.11 0.12 -0.36 0.00 0.00 175.35 175.93 10gs s PHE 55 N -0.45 0.96 -0.05 4.03 5.36 0.05 -0.77 117.98 127.11 10gs s PHE 55 Ca 0.07 -0.42 0.01 0.00 -0.96 0.00 0.00 56.93 55.63 10gs s PHE 55 Cb -0.08 -0.56 0.02 0.00 -0.34 0.00 0.00 43.02 42.06 10gs s PHE 55 CO -0.01 -0.00 -0.06 -0.65 -1.46 0.00 0.00 175.22 173.04 10gs s GLN 56 N -1.41 0.96 -0.40 10.12 -0.21 -0.24 -0.47 119.66 128.02 10gs s GLN 56 Ca -0.04 -0.16 0.02 0.00 0.02 0.00 0.00 55.36 55.20 10gs s GLN 56 Cb -0.09 -0.92 0.12 0.00 1.00 0.00 0.00 33.01 33.12 10gs s GLN 56 CO 0.01 -0.06 0.17 0.34 -2.12 0.00 0.00 175.29 173.63 10gs s ASP 57 N 0.84 4.04 1.48 5.90 2.15 -0.39 -1.60 116.67 129.09 10gs s ASP 57 Ca -0.12 -2.33 0.00 0.00 0.43 0.00 0.00 52.55 50.53 10gs s ASP 57 Cb -0.15 -1.17 0.00 0.00 -0.30 0.00 0.00 42.92 41.30 10gs s ASP 57 CO 0.01 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.30 10gs n GLY 58 N 3.97 2.24 1.00 2.66 0.00 -0.91 -1.65 105.19 112.50 10gs n GLY 58 Ca 0.04 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.83 10gs n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 10gs n ASP 59 N 6.82 2.99 -4.64 1.61 5.75 -1.26 -4.86 116.55 122.97 10gs n ASP 59 Ca 0.00 -1.93 -0.42 0.00 -0.01 0.00 0.00 54.79 52.43 10gs n ASP 59 Cb 0.00 -0.23 -0.04 0.00 -1.03 0.00 0.00 41.12 39.82 10gs n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 10gs s LEU 60 N -1.46 4.07 -0.20 -2.12 0.20 -0.66 -5.03 118.68 113.48 10gs s LEU 60 Ca 0.37 0.98 -0.06 0.00 0.69 0.00 0.00 54.13 56.11 10gs s LEU 60 Cb 0.21 -3.25 -0.03 0.00 -0.43 0.00 0.00 46.19 42.69 10gs s LEU 60 CO 0.30 -0.61 0.03 -0.89 -0.29 0.00 0.00 176.35 174.89 10gs s THR 61 N 3.02 4.28 0.19 3.68 2.01 -1.26 -1.26 115.64 126.30 10gs s THR 61 Ca 0.37 -0.20 0.10 0.00 0.31 0.00 0.00 61.69 62.26 10gs s THR 61 Cb -0.15 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 10gs s THR 61 CO 0.10 0.42 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.48 10gs s LEU 62 N 0.89 2.46 0.27 4.42 1.02 0.38 -4.97 118.68 123.15 10gs s LEU 62 Ca 0.02 -0.89 0.02 0.00 0.02 0.00 0.00 54.13 53.31 10gs s LEU 62 Cb -0.14 -1.00 -0.05 0.00 0.02 0.00 0.00 46.19 45.02 10gs s LEU 62 CO 0.02 0.04 0.07 -0.31 0.02 0.00 0.00 176.35 176.19 10gs s TYR 63 N -1.97 1.66 0.01 0.29 2.02 -1.26 -0.77 117.35 117.32 10gs s TYR 63 Ca 0.20 -1.08 0.00 0.00 -0.37 0.00 0.00 57.07 55.82 10gs s TYR 63 Cb -0.06 -1.01 0.00 0.00 -0.40 0.00 0.00 41.96 40.49 10gs s TYR 63 CO 0.09 -0.19 0.00 1.04 -1.57 0.00 0.00 175.55 174.92 10gs n GLN 64 N -0.52 -0.87 -0.25 -0.62 1.13 -1.26 -4.49 117.38 110.51 10gs n GLN 64 Ca -0.01 1.05 0.05 0.00 -1.94 0.00 0.00 57.00 56.14 10gs n GLN 64 Cb 0.66 -1.14 0.18 0.00 0.11 0.00 0.00 30.24 30.05 10gs n GLN 64 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 10gs h SER 65 N 0.71 0.23 0.49 1.08 4.64 -1.88 -1.43 113.55 117.38 10gs h SER 65 Ca 0.00 0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.34 10gs h SER 65 Cb 0.00 0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 10gs h SER 65 CO 0.00 0.08 -0.45 0.78 -0.87 0.00 0.00 176.83 176.37 10gs h ASN 66 N 0.41 0.00 -0.49 4.97 2.35 -1.92 -0.76 115.58 120.14 10gs h ASN 66 Ca 0.41 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 56.04 10gs h ASN 66 Cb 0.63 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 10gs h ASN 66 CO -0.42 0.45 -0.18 0.74 -1.65 0.00 0.00 177.43 176.37 10gs h THR 67 N 0.00 1.27 -0.35 2.81 2.02 -1.54 -0.13 112.91 117.00 10gs h THR 67 Ca -0.00 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 65.82 10gs h THR 67 Cb 0.81 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 10gs h THR 67 CO 0.06 0.47 0.16 0.40 0.37 0.00 0.00 175.52 176.97 10gs h ILE 68 N 0.84 1.17 -0.33 3.11 2.04 -0.90 0.55 117.51 123.99 10gs h ILE 68 Ca 0.11 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.48 10gs h ILE 68 Cb 0.76 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 10gs h ILE 68 CO 0.06 0.18 0.20 -0.07 0.00 0.00 0.00 178.15 178.52 10gs h LEU 69 N 0.42 0.33 -1.01 1.44 3.38 -0.94 -1.32 115.31 117.61 10gs h LEU 69 Ca 0.12 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 10gs h LEU 69 Cb 0.14 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 10gs h LEU 69 CO -0.01 0.24 -0.05 0.03 0.09 0.00 0.00 178.44 178.74 10gs h ARG 70 N 0.41 0.65 -0.16 1.13 3.08 -0.78 0.45 114.38 119.15 10gs h ARG 70 Ca 0.13 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 10gs h ARG 70 Cb -0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 10gs h ARG 70 CO -0.05 0.71 0.04 1.25 -1.07 0.00 0.00 179.97 180.85 10gs h HIS 71 N 0.61 0.28 -0.62 3.04 2.76 -0.52 -0.35 115.15 120.35 10gs h HIS 71 Ca 0.12 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.17 10gs h HIS 71 Cb 0.46 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 10gs h HIS 71 CO 0.02 0.40 0.06 -0.07 -1.30 0.00 0.00 177.93 177.04 10gs h LEU 72 N 0.07 0.99 -1.14 0.26 4.07 -1.04 -0.87 115.31 117.67 10gs h LEU 72 Ca 0.05 -0.25 -0.06 0.00 0.08 0.00 0.00 57.88 57.71 10gs h LEU 72 Cb 0.26 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 10gs h LEU 72 CO 0.00 1.01 -0.01 1.23 -1.08 0.00 0.00 178.44 179.60 10gs h GLY 73 N 1.02 0.64 0.56 0.83 0.00 -0.72 0.11 103.07 105.51 10gs h GLY 73 Ca 0.18 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 10gs h GLY 73 CO 0.02 0.37 -0.27 -0.09 0.00 0.00 0.00 176.54 176.56 10gs h ARG 74 N 0.56 0.24 -0.00 4.80 2.43 -0.75 0.39 114.38 122.05 10gs h ARG 74 Ca 0.12 -0.22 -0.17 0.00 -0.81 0.00 0.00 59.98 58.90 10gs h ARG 74 Cb 0.37 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 10gs h ARG 74 CO 0.01 0.89 -0.79 1.79 -1.51 0.00 0.00 179.97 180.37 10gs h THR 75 N -0.34 1.53 -0.01 0.20 1.35 -1.07 -3.26 112.91 111.30 10gs h THR 75 Ca -0.03 -2.59 0.00 0.00 -0.55 0.00 0.00 66.41 63.25 10gs h THR 75 Cb 0.96 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.79 10gs h THR 75 CO 0.05 0.74 -0.30 0.18 -0.25 0.00 0.00 175.52 175.94 10gs n LEU 76 N -3.65 1.62 -0.91 3.87 4.32 0.36 -4.99 117.00 117.63 10gs n LEU 76 Ca -0.02 -0.54 -0.03 0.00 -0.02 0.00 0.00 56.01 55.40 10gs n LEU 76 Cb 0.75 -0.05 0.01 0.00 -1.62 0.00 0.00 43.42 42.51 10gs n LEU 76 CO 0.45 0.30 0.03 0.61 -1.22 0.00 0.00 177.39 177.56 10gs n GLY 77 N 1.36 0.74 2.37 -0.72 0.00 -0.86 -4.99 105.19 103.09 10gs n GLY 77 Ca 0.12 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 10gs n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 10gs n LEU 78 N -1.10 5.02 -1.93 0.99 4.77 0.13 -4.75 117.00 120.13 10gs n LEU 78 Ca 0.00 -5.04 -0.03 0.00 -0.03 0.00 0.00 56.01 50.91 10gs n LEU 78 Cb 0.51 -0.48 0.06 0.00 -2.33 0.00 0.00 43.42 41.19 10gs n LEU 78 CO 0.09 2.15 0.11 0.00 -1.33 0.00 0.00 177.39 178.41 10gs n TYR 79 N -0.56 1.03 0.00 -1.77 4.19 -1.21 -1.61 117.16 117.23 10gs n TYR 79 Ca 0.42 -1.60 0.00 0.00 3.31 0.00 0.00 57.90 60.02 10gs n TYR 79 Cb 0.72 -0.23 0.00 0.00 0.49 0.00 0.00 39.34 40.32 10gs n TYR 79 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 10gs n GLY 80 N -0.41 -1.52 0.14 2.98 0.00 -1.26 -3.88 105.19 101.24 10gs n GLY 80 Ca 0.17 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.74 10gs n GLY 80 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 10gs h LYS 81 N 0.00 0.00 0.00 1.61 2.10 -1.96 -3.46 116.57 114.86 10gs h LYS 81 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.52 10gs h LYS 81 Cb 0.00 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 10gs h LYS 81 CO 0.00 0.00 0.02 -0.40 -2.00 0.00 0.00 179.45 177.07 10gs n ASP 82 N -2.68 -1.23 -0.25 7.07 5.68 -1.26 -5.04 116.55 118.83 10gs n ASP 82 Ca 0.02 -2.25 -0.02 0.00 -0.50 0.00 0.00 54.79 52.04 10gs n ASP 82 Cb 0.52 2.16 0.16 0.00 -1.14 0.00 0.00 41.12 42.81 10gs n ASP 82 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 10gs h GLN 83 N 0.00 1.09 -0.24 0.11 4.20 -1.93 -0.31 115.11 118.02 10gs h GLN 83 Ca -0.21 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.37 10gs h GLN 83 Cb 0.85 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 10gs h GLN 83 CO 0.28 0.81 0.15 0.37 -0.67 0.00 0.00 178.83 179.77 10gs h GLN 84 N 1.09 0.33 -0.46 1.46 4.15 -1.98 -0.68 115.11 119.01 10gs h GLN 84 Ca 0.27 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.58 10gs h GLN 84 Cb 0.06 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 10gs h GLN 84 CO -0.04 0.25 -0.06 0.93 -1.93 0.00 0.00 178.83 177.97 10gs h GLU 85 N 0.31 0.81 -0.96 1.69 5.08 -1.85 -2.29 114.58 117.37 10gs h GLU 85 Ca 0.09 -0.25 0.03 0.00 -1.00 0.00 0.00 59.36 58.23 10gs h GLU 85 Cb -0.00 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 10gs h GLU 85 CO -0.02 0.86 0.63 0.00 -1.00 0.00 0.00 179.01 179.48 10gs h ALA 86 N 1.18 1.26 -0.61 3.43 0.00 -0.59 0.81 119.26 124.74 10gs h ALA 86 Ca 0.13 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 10gs h ALA 86 Cb 0.54 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 10gs h ALA 86 CO 0.03 0.54 -0.00 0.00 0.00 0.00 0.00 179.25 179.82 10gs h ALA 87 N 1.38 0.84 -0.38 0.00 0.00 -0.75 -2.24 119.26 118.12 10gs h ALA 87 Ca 0.38 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 10gs h ALA 87 Cb -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 10gs h ALA 87 CO -0.11 0.67 -0.25 -0.07 0.00 0.00 0.00 179.25 179.49 10gs h LEU 88 N 0.98 0.80 -0.58 0.00 3.38 -0.77 -1.61 115.31 117.50 10gs h LEU 88 Ca 0.17 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 10gs h LEU 88 Cb 0.56 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 10gs h LEU 88 CO 0.03 1.01 0.30 0.58 0.09 0.00 0.00 178.44 180.45 10gs h VAL 89 N 0.67 1.20 -0.52 1.22 2.07 -0.71 -1.04 116.25 119.14 10gs h VAL 89 Ca 0.09 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 10gs h VAL 89 Cb 0.77 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 10gs h VAL 89 CO 0.06 0.22 0.23 0.44 0.02 0.00 0.00 177.57 178.55 10gs h ASP 90 N 0.78 0.70 -0.91 0.57 3.32 -1.22 -0.47 116.42 119.20 10gs h ASP 90 Ca 0.20 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.10 10gs h ASP 90 Cb 0.08 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 10gs h ASP 90 CO -0.03 0.66 0.57 -0.03 -1.72 0.00 0.00 179.24 178.69 10gs h MET 91 N 0.70 1.22 -0.06 3.56 4.05 -0.90 0.13 114.93 123.64 10gs h MET 91 Ca 0.18 -0.10 -0.02 0.00 -0.28 0.00 0.00 59.70 59.49 10gs h MET 91 Cb 0.16 -0.26 -0.00 0.00 -0.80 0.00 0.00 31.60 30.69 10gs h MET 91 CO -0.02 0.84 -0.02 0.28 0.23 0.00 0.00 176.91 178.21 10gs h VAL 92 N 1.25 1.31 -0.84 -5.77 2.07 -0.88 -2.39 116.25 111.00 10gs h VAL 92 Ca 0.33 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.87 10gs h VAL 92 Cb -0.09 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 10gs h VAL 92 CO -0.07 0.27 0.54 -1.13 0.02 0.00 0.00 177.57 177.21 10gs h ASN 93 N -0.24 0.98 -0.30 0.57 -1.24 -0.72 0.07 115.58 114.69 10gs h ASN 93 Ca 0.01 -0.04 -0.05 0.00 0.71 0.00 0.00 56.30 56.94 10gs h ASN 93 Cb 0.44 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.23 10gs h ASN 93 CO 0.01 0.72 0.05 0.44 -1.29 0.00 0.00 177.43 177.36 10gs h ASP 94 N 1.14 0.56 -0.33 1.15 3.32 -0.76 0.12 116.42 121.63 10gs h ASP 94 Ca 0.31 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.19 10gs h ASP 94 Cb -0.11 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 10gs h ASP 94 CO -0.06 0.59 -0.05 1.23 -1.72 0.00 0.00 179.24 179.22 10gs h GLY 95 N 0.85 0.67 0.99 2.75 0.00 -0.73 -1.61 103.07 105.98 10gs h GLY 95 Ca 0.13 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.92 10gs h GLY 95 CO 0.00 0.49 0.27 -2.08 0.00 0.00 0.00 176.54 175.22 10gs h VAL 96 N 0.40 1.13 -0.94 4.60 2.07 -0.35 -2.57 116.25 120.59 10gs h VAL 96 Ca 0.09 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.37 10gs h VAL 96 Cb 0.54 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 10gs h VAL 96 CO 0.03 0.13 0.62 -0.08 0.02 0.00 0.00 177.57 178.28 10gs h GLU 97 N 0.58 1.16 -0.23 1.57 4.57 -0.63 0.80 114.58 122.40 10gs h GLU 97 Ca 0.16 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 10gs h GLU 97 Cb -0.03 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.29 10gs h GLU 97 CO -0.03 0.77 0.12 -0.44 -1.18 0.00 0.00 179.01 178.25 10gs h ASP 98 N 1.20 0.29 0.13 1.04 3.32 -0.97 -1.38 116.42 120.05 10gs h ASP 98 Ca 0.37 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.22 10gs h ASP 98 Cb -0.01 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 10gs h ASP 98 CO -0.12 0.30 -0.37 0.25 -1.72 0.00 0.00 179.24 177.58 10gs h LEU 99 N 0.26 0.34 -0.84 1.55 5.85 -1.07 -2.86 115.31 118.54 10gs h LEU 99 Ca 0.08 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 10gs h LEU 99 Cb 0.08 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 10gs h LEU 99 CO -0.01 0.69 0.29 -0.09 -0.34 0.00 0.00 178.44 178.97 10gs h ARG 100 N 0.28 1.14 -0.75 1.25 2.43 -0.51 -0.99 114.38 117.23 10gs h ARG 100 Ca 0.03 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 58.94 10gs h ARG 100 Cb 0.78 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 10gs h ARG 100 CO 0.06 0.94 0.30 0.00 -1.51 0.00 0.00 179.97 179.76 10gs h LYS 102 N 1.09 1.02 -0.12 0.00 1.57 -1.24 0.25 116.57 119.14 10gs h LYS 102 Ca 0.25 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 10gs h LYS 102 Cb 0.21 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 10gs h LYS 102 CO -0.02 1.02 0.06 -0.92 -0.57 0.00 0.00 179.45 179.01 10gs h TYR 103 N 0.91 0.17 -0.86 -1.35 3.20 -0.62 -1.43 116.97 116.99 10gs h TYR 103 Ca 0.16 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 10gs h TYR 103 Cb 0.56 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 10gs h TYR 103 CO 0.04 0.22 0.53 0.82 -1.64 0.00 0.00 178.16 178.12 10gs h ILE 104 N 0.07 1.24 -0.81 1.81 2.04 -0.59 -1.03 117.51 120.23 10gs h ILE 104 Ca 0.04 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 10gs h ILE 104 Cb 0.11 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.17 10gs h ILE 104 CO -0.01 0.25 0.45 -1.28 0.00 0.00 0.00 178.15 177.56 10gs h SER 105 N 1.19 1.01 0.28 1.72 0.87 -0.68 -1.34 113.55 116.59 10gs h SER 105 Ca 0.31 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 10gs h SER 105 Cb -0.06 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.65 10gs h SER 105 CO -0.06 0.81 -0.13 0.25 -0.53 0.00 0.00 176.83 177.17 10gs h LEU 106 N 1.13 -0.32 -0.32 2.23 5.85 -0.59 0.97 115.31 124.25 10gs h LEU 106 Ca 0.29 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.94 10gs h LEU 106 Cb 0.03 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 10gs h LEU 106 CO -0.05 -0.06 0.03 0.40 -0.34 0.00 0.00 178.44 178.42 10gs h ILE 107 N -0.58 0.80 0.00 4.05 1.08 -1.04 -0.81 117.51 121.01 10gs h ILE 107 Ca -0.04 -0.04 -0.06 0.00 -0.39 0.00 0.00 64.86 64.33 10gs h ILE 107 Cb 0.42 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 10gs h ILE 107 CO 0.06 0.02 -1.26 -1.22 -0.69 0.00 0.00 178.15 175.07 10gs n TYR 108 N -5.14 0.86 -0.14 1.37 4.01 -0.52 -4.43 117.16 113.18 10gs n TYR 108 Ca 0.01 0.26 -0.29 0.00 -0.16 0.00 0.00 57.90 57.72 10gs n TYR 108 Cb 0.16 -0.96 -0.10 0.00 -0.31 0.00 0.00 39.34 38.13 10gs n TYR 108 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 10gs n THR 109 N -2.70 1.53 -2.84 -0.72 -1.04 0.33 -4.92 114.28 103.92 10gs n THR 109 Ca -0.04 -0.37 -0.11 0.00 -2.04 0.00 0.00 64.05 61.48 10gs n THR 109 Cb 0.65 -1.87 0.03 0.00 -1.82 0.00 0.00 70.33 67.33 10gs n THR 109 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 10gs n ASN 110 N -4.21 -2.14 0.35 8.00 2.04 -0.97 -5.02 115.26 113.32 10gs n ASN 110 Ca -0.53 -3.25 -0.17 0.00 -0.44 0.00 0.00 54.58 50.19 10gs n ASN 110 Cb 0.88 1.33 -0.09 0.00 -2.53 0.00 0.00 39.78 39.37 10gs n ASN 110 CO 0.00 0.00 0.00 0.22 -0.44 0.00 0.00 177.26 177.04 10gs h TYR 111 N 3.80 -0.81 0.08 -2.53 3.20 -1.37 -0.23 116.97 119.11 10gs h TYR 111 Ca -0.09 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.78 10gs h TYR 111 Cb 1.01 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.51 10gs h TYR 111 CO 0.14 -0.49 -0.27 0.93 -1.64 0.00 0.00 178.16 176.83 10gs h GLU 112 N -0.91 -0.44 0.10 1.82 3.07 -1.95 -1.41 114.58 114.86 10gs h GLU 112 Ca -0.09 0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 10gs h GLU 112 Cb 0.68 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 10gs h GLU 112 CO 0.15 -0.30 -0.05 0.00 -1.40 0.00 0.00 179.01 177.41 10gs h ALA 113 N 0.29 -0.14 -0.01 3.43 0.00 -1.98 -3.35 119.26 117.51 10gs h ALA 113 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.74 10gs h ALA 113 Cb 0.51 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 10gs h ALA 113 CO -0.18 -0.36 -0.08 0.41 0.00 0.00 0.00 179.25 179.04 10gs n GLY 114 N 0.04 -0.77 0.36 0.00 0.00 -0.10 -4.37 105.19 100.35 10gs n GLY 114 Ca -0.09 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.70 10gs n GLY 114 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 10gs h LYS 115 N 0.81 0.97 -0.08 1.61 3.64 -1.39 -2.24 116.57 119.89 10gs h LYS 115 Ca 0.00 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 10gs h LYS 115 Cb 0.33 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 10gs h LYS 115 CO 0.00 0.64 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.35 10gs h ASP 116 N 1.00 0.17 -0.79 4.20 3.32 -1.85 -2.48 116.42 119.98 10gs h ASP 116 Ca 0.47 -0.41 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 10gs h ASP 116 Cb 0.41 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 10gs h ASP 116 CO -0.25 0.54 0.36 0.44 -1.72 0.00 0.00 179.24 178.61 10gs h ASP 117 N -0.20 1.05 -0.42 6.45 3.32 -1.82 -2.22 116.42 122.58 10gs h ASP 117 Ca 0.02 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.92 10gs h ASP 117 Cb 0.47 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 10gs h ASP 117 CO 0.01 0.91 0.27 0.22 -1.72 0.00 0.00 179.24 178.93 10gs h TYR 118 N 1.13 0.54 -0.22 4.55 5.03 -1.42 -1.68 116.97 124.89 10gs h TYR 118 Ca 0.27 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.51 10gs h TYR 118 Cb 0.15 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.24 10gs h TYR 118 CO 0.01 0.35 -0.19 0.28 -1.32 0.00 0.00 178.16 177.30 10gs h VAL 119 N 0.57 1.24 -0.44 1.81 2.07 -1.24 -1.59 116.25 118.66 10gs h VAL 119 Ca 0.15 -1.08 -0.11 0.00 0.82 0.00 0.00 66.70 66.48 10gs h VAL 119 Cb -0.04 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 10gs h VAL 119 CO -0.03 0.34 -0.17 0.11 0.02 0.00 0.00 177.57 177.84 10gs h LYS 120 N 0.36 0.85 0.00 1.57 1.57 -0.99 -2.94 116.57 116.99 10gs h LYS 120 Ca 0.06 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 10gs h LYS 120 Cb 0.54 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.81 10gs h LYS 120 CO 0.04 0.96 -0.09 0.00 -0.57 0.00 0.00 179.45 179.79 10gs n ALA 121 N -2.50 2.39 -0.20 3.86 0.00 -0.67 -4.29 120.51 119.10 10gs n ALA 121 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.38 10gs n ALA 121 Cb 0.42 -1.43 0.08 0.00 0.00 0.00 0.00 19.45 18.52 10gs n ALA 121 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 10gs h LEU 122 N 0.00 -0.39 -0.90 0.00 3.38 -1.10 -2.42 115.31 113.87 10gs h LEU 122 Ca 0.00 0.16 0.16 0.00 0.09 0.00 0.00 57.88 58.29 10gs h LEU 122 Cb 0.71 0.31 -0.10 0.00 0.09 0.00 0.00 40.66 41.67 10gs h LEU 122 CO 0.00 -0.15 0.50 -0.65 0.09 0.00 0.00 178.44 178.22 10gs h PRO 123 N 0.07 0.66 -0.19 1.13 0.11 -1.78 0.57 132.00 132.57 10gs h PRO 123 Ca 0.31 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.30 10gs h PRO 123 Cb 0.49 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 10gs h PRO 123 CO -0.57 0.43 -0.24 0.78 -0.21 0.00 0.00 178.00 178.20 10gs h GLY 124 N 0.68 0.37 1.83 -0.55 0.00 -1.74 -1.50 103.07 102.16 10gs h GLY 124 Ca 0.50 -0.28 -0.17 0.00 0.00 0.00 0.00 47.33 47.39 10gs h GLY 124 CO -0.37 0.26 -0.73 1.46 0.00 0.00 0.00 176.54 177.16 10gs h GLN 125 N 0.31 0.16 0.00 4.80 1.08 -0.81 -3.31 115.11 117.34 10gs h GLN 125 Ca 0.05 -0.14 -0.18 0.00 -1.45 0.00 0.00 58.65 56.93 10gs h GLN 125 Cb 0.59 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.02 10gs h GLN 125 CO 0.04 0.82 -1.10 -0.07 -0.95 0.00 0.00 178.83 177.57 10gs h LEU 126 N 0.11 0.00 -0.79 1.46 3.38 -0.75 -3.38 115.31 115.32 10gs h LEU 126 Ca -0.02 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.13 10gs h LEU 126 Cb 1.29 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.93 10gs h LEU 126 CO 0.11 0.70 0.24 0.11 0.09 0.00 0.00 178.44 179.69 10gs h LYS 127 N 0.00 0.29 -0.97 1.13 1.57 -1.36 -2.01 116.57 115.22 10gs h LYS 127 Ca -0.10 -0.02 0.19 0.00 -1.87 0.00 0.00 60.65 58.84 10gs h LYS 127 Cb 1.63 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 33.78 10gs h LYS 127 CO 0.07 0.19 0.61 -1.35 -0.57 0.00 0.00 179.45 178.41 10gs h PRO 128 N 0.30 0.65 -0.01 3.15 0.11 -1.77 -0.53 132.00 133.89 10gs h PRO 128 Ca 0.46 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.36 10gs h PRO 128 Cb 0.83 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 10gs h PRO 128 CO -0.53 0.43 -0.79 0.74 -0.21 0.00 0.00 178.00 177.63 10gs h PHE 129 N 0.67 0.26 -0.54 0.65 0.04 -1.64 -1.38 116.94 114.99 10gs h PHE 129 Ca 0.53 -0.13 -0.10 0.00 2.80 0.00 0.00 57.97 61.07 10gs h PHE 129 Cb 0.94 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.04 10gs h PHE 129 CO -0.00 0.90 -0.06 1.49 -0.60 0.00 0.00 178.31 180.03 10gs h GLU 130 N 0.11 0.98 -0.13 1.51 4.57 -1.17 -1.82 114.58 118.63 10gs h GLU 130 Ca -0.03 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 57.81 10gs h GLU 130 Cb 1.39 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 10gs h GLU 130 CO 0.12 1.00 0.03 1.15 -1.18 0.00 0.00 179.01 180.13 10gs h THR 131 N 0.89 1.21 -0.66 0.32 2.02 -0.99 -0.43 112.91 115.27 10gs h THR 131 Ca 0.15 -0.65 0.06 0.00 0.77 0.00 0.00 66.41 66.74 10gs h THR 131 Cb 0.60 1.39 -0.05 0.00 -1.74 0.00 0.00 68.15 68.35 10gs h THR 131 CO 0.04 0.19 0.36 -0.07 0.37 0.00 0.00 175.52 176.41 10gs h LEU 132 N 0.00 0.54 -0.35 2.58 3.38 -1.14 -2.00 115.31 118.32 10gs h LEU 132 Ca 0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 10gs h LEU 132 Cb 0.27 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 10gs h LEU 132 CO 0.00 0.35 0.16 0.25 0.09 0.00 0.00 178.44 179.29 10gs h LEU 133 N 0.67 0.46 -2.18 1.67 5.85 -1.13 -2.63 115.31 118.02 10gs h LEU 133 Ca 0.30 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 10gs h LEU 133 Cb 0.19 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 10gs h LEU 133 CO -0.18 0.46 -0.06 0.77 -0.34 0.00 0.00 178.44 179.08 10gs h SER 134 N 0.42 0.00 0.24 1.25 4.64 -0.52 -0.03 113.55 119.55 10gs h SER 134 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 10gs h SER 134 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 10gs h SER 134 CO -0.01 0.06 -0.22 0.00 -0.87 0.00 0.00 176.83 175.79 10gs n GLN 135 N -3.75 0.87 -3.85 4.77 6.02 -0.80 -3.85 117.38 116.78 10gs n GLN 135 Ca -0.02 -0.49 -0.34 0.00 -0.01 0.00 0.00 57.00 56.14 10gs n GLN 135 Cb 0.16 -1.49 -0.12 0.00 1.02 0.00 0.00 30.24 29.81 10gs n GLN 135 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 10gs s ASN 136 N -2.47 4.99 -1.61 1.08 2.47 -0.66 -4.77 114.94 113.96 10gs s ASN 136 Ca 0.26 -2.37 -0.17 0.00 0.42 0.00 0.00 52.86 50.99 10gs s ASN 136 Cb 0.19 -1.76 0.14 0.00 -1.45 0.00 0.00 41.25 38.38 10gs s ASN 136 CO 0.50 -0.42 0.77 0.00 -3.72 0.00 0.00 177.10 174.23 10gs n GLN 137 N 4.07 -3.48 -1.98 0.43 6.02 -1.26 -1.03 117.38 120.14 10gs n GLN 137 Ca 0.02 0.41 -0.19 0.00 -0.01 0.00 0.00 57.00 57.23 10gs n GLN 137 Cb 0.39 -5.16 -0.04 0.00 1.02 0.00 0.00 30.24 26.45 10gs n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 10gs n GLY 138 N -1.38 0.66 2.27 1.08 0.00 -1.25 -2.26 105.19 104.31 10gs n GLY 138 Ca 0.06 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 10gs n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 10gs n GLY 139 N -0.82 0.88 0.16 -0.02 0.00 -0.11 -4.81 105.19 100.46 10gs n GLY 139 Ca -0.21 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.35 10gs n GLY 139 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 10gs h LYS 140 N 0.00 0.00 0.00 1.61 1.79 -1.59 -3.45 116.57 114.93 10gs h LYS 140 Ca -0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 10gs h LYS 140 Cb 0.79 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 10gs h LYS 140 CO 0.30 0.19 0.00 0.25 -1.08 0.00 0.00 179.45 179.11 10gs n THR 141 N -3.03 0.00 -3.80 -0.16 -2.24 -1.26 -5.10 114.28 98.68 10gs n THR 141 Ca 0.01 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.54 10gs n THR 141 Cb 0.63 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.86 10gs n THR 141 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 10gs s PHE 142 N 2.54 1.75 0.38 4.78 0.08 -1.25 -5.01 117.98 121.25 10gs s PHE 142 Ca 0.00 -0.79 0.08 0.00 0.12 0.00 0.00 56.93 56.34 10gs s PHE 142 Cb 0.00 -1.96 0.77 0.00 -0.57 0.00 0.00 43.02 41.26 10gs s PHE 142 CO 0.00 -0.47 1.93 0.97 -0.10 0.00 0.00 175.22 177.56 10gs h ILE 143 N 0.76 1.17 -3.34 0.64 6.09 -1.96 -3.41 117.51 117.45 10gs h ILE 143 Ca -0.37 -0.68 -0.33 0.00 -1.37 0.00 0.00 64.86 62.11 10gs h ILE 143 Cb 1.30 1.06 -0.37 0.00 0.47 0.00 0.00 36.82 39.28 10gs h ILE 143 CO 0.56 0.22 -0.71 -0.69 -3.07 0.00 0.00 178.15 174.46 10gs s VAL 144 N -4.88 -0.11 0.00 2.19 1.01 -1.26 -4.67 120.40 112.68 10gs s VAL 144 Ca -0.06 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.26 10gs s VAL 144 Cb 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.38 10gs s VAL 144 CO 0.74 0.14 0.00 0.61 0.00 0.00 0.00 175.10 176.59 10gs n GLY 145 N 4.90 -0.75 0.52 4.51 0.00 -1.26 -4.36 105.19 108.76 10gs n GLY 145 Ca -0.12 -1.15 0.07 0.00 0.00 0.00 0.00 46.02 44.81 10gs n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 10gs n ASP 146 N -0.99 3.03 -4.05 1.61 5.75 -1.26 -3.94 116.55 116.70 10gs n ASP 146 Ca 0.00 -2.61 -0.16 0.00 -0.01 0.00 0.00 54.79 52.01 10gs n ASP 146 Cb 0.00 -0.35 -0.13 0.00 -1.03 0.00 0.00 41.12 39.61 10gs n ASP 146 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 10gs s GLN 147 N -2.07 0.61 0.48 0.11 -2.07 -1.26 -4.89 119.66 110.57 10gs s GLN 147 Ca 0.29 -0.55 -0.23 0.00 -1.82 0.00 0.00 55.36 53.05 10gs s GLN 147 Cb 0.22 -0.52 -0.07 0.00 -1.09 0.00 0.00 33.01 31.55 10gs s GLN 147 CO 0.08 0.13 1.26 -1.50 -1.32 0.00 0.00 175.29 173.94 10gs s ILE 148 N -0.77 2.66 0.33 3.63 2.07 -1.26 -4.81 121.20 123.06 10gs s ILE 148 Ca -0.02 0.52 0.03 0.00 -1.41 0.00 0.00 60.65 59.77 10gs s ILE 148 Cb -0.06 -3.27 -0.05 0.00 0.13 0.00 0.00 42.46 39.20 10gs s ILE 148 CO 0.00 0.01 0.09 -0.94 -1.91 0.00 0.00 174.94 172.19 10gs s SER 149 N -1.09 2.23 0.51 4.50 1.04 -1.26 -4.66 113.70 114.98 10gs s SER 149 Ca 0.65 -1.46 0.25 0.00 0.48 0.00 0.00 55.95 55.86 10gs s SER 149 Cb -0.35 0.14 1.39 0.00 0.10 0.00 0.00 66.02 67.30 10gs s SER 149 CO 0.42 -0.73 2.07 2.19 0.98 0.00 0.00 173.24 178.17 10gs h PHE 150 N 2.08 0.00 -0.13 5.02 -5.15 -1.65 -1.76 116.94 115.35 10gs h PHE 150 Ca -0.39 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.32 10gs h PHE 150 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.41 10gs h PHE 150 CO 0.82 0.12 -0.23 0.00 -2.00 0.00 0.00 178.31 177.02 10gs h ALA 151 N 1.88 1.39 -0.17 12.09 0.00 -1.87 -2.63 119.26 129.95 10gs h ALA 151 Ca -0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 10gs h ALA 151 Cb 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 10gs h ALA 151 CO 0.02 0.43 0.10 -0.44 0.00 0.00 0.00 179.25 179.35 10gs h ASP 152 N 0.20 0.21 -0.79 0.00 3.32 -1.72 0.11 116.42 117.75 10gs h ASP 152 Ca 0.03 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 10gs h ASP 152 Cb 0.52 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 10gs h ASP 152 CO 0.04 0.23 0.36 1.88 -1.72 0.00 0.00 179.24 180.02 10gs h TYR 153 N 0.18 1.16 -0.40 4.55 0.05 -1.56 0.11 116.97 121.06 10gs h TYR 153 Ca 0.06 -0.07 -0.15 0.00 0.05 0.00 0.00 58.73 58.63 10gs h TYR 153 Cb 0.06 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.44 10gs h TYR 153 CO -0.04 0.86 -0.32 -0.97 -1.05 0.00 0.00 178.16 176.64 10gs h ASN 154 N 1.13 0.98 -0.37 3.88 -1.24 -1.27 -1.66 115.58 117.03 10gs h ASN 154 Ca 0.27 -0.44 -0.08 0.00 0.71 0.00 0.00 56.30 56.75 10gs h ASN 154 Cb 0.15 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.91 10gs h ASN 154 CO -0.03 1.21 -0.09 0.25 -1.29 0.00 0.00 177.43 177.48 10gs h LEU 155 N 0.75 0.72 -0.34 0.34 5.85 -0.51 -1.68 115.31 120.45 10gs h LEU 155 Ca 0.07 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.47 10gs h LEU 155 Cb 0.91 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 10gs h LEU 155 CO 0.08 0.92 0.09 0.25 -0.34 0.00 0.00 178.44 179.44 10gs h LEU 156 N 0.51 0.05 -0.35 2.25 5.85 -0.68 0.43 115.31 123.37 10gs h LEU 156 Ca 0.09 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.88 10gs h LEU 156 Cb 0.61 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 10gs h LEU 156 CO 0.04 0.07 0.20 -0.78 -0.34 0.00 0.00 178.44 177.63 10gs h ASP 157 N 0.21 0.32 -0.66 1.25 3.58 -1.18 -0.32 116.42 119.63 10gs h ASP 157 Ca 0.16 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.67 10gs h ASP 157 Cb 0.16 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.09 10gs h ASP 157 CO -0.19 0.24 0.36 0.25 -2.88 0.00 0.00 179.24 177.02 10gs h LEU 158 N 0.41 0.53 -0.31 2.28 5.85 -0.52 -1.51 115.31 122.05 10gs h LEU 158 Ca 0.14 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 10gs h LEU 158 Cb 0.01 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 10gs h LEU 158 CO -0.07 0.35 0.04 -0.07 -0.34 0.00 0.00 178.44 178.35 10gs h LEU 159 N 0.67 0.50 -0.56 2.25 3.38 -0.43 -2.75 115.31 118.38 10gs h LEU 159 Ca 0.30 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 58.01 10gs h LEU 159 Cb 0.19 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 10gs h LEU 159 CO -0.19 0.64 0.36 -0.07 0.09 0.00 0.00 178.44 179.28 10gs h LEU 160 N 0.34 0.62 -1.42 1.67 3.38 -0.69 -1.48 115.31 117.74 10gs h LEU 160 Ca 0.09 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 10gs h LEU 160 Cb 0.36 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 10gs h LEU 160 CO 0.01 0.44 -0.13 0.16 0.09 0.00 0.00 178.44 179.01 10gs h ILE 161 N 0.73 0.35 0.00 1.22 3.07 -1.26 -2.35 117.51 119.28 10gs h ILE 161 Ca 0.21 -0.79 -0.16 0.00 1.55 0.00 0.00 64.86 65.67 10gs h ILE 161 Cb -0.06 1.59 -0.02 0.00 -0.27 0.00 0.00 36.82 38.05 10gs h ILE 161 CO -0.06 0.12 -0.83 0.45 -1.05 0.00 0.00 178.15 176.79 10gs h HIS 162 N 0.00 0.00 -0.39 0.16 3.86 -1.10 -2.01 115.15 115.67 10gs h HIS 162 Ca -0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 10gs h HIS 162 Cb 0.58 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 10gs h HIS 162 CO 0.00 0.76 -0.05 0.93 0.86 0.00 0.00 177.93 180.42 10gs h GLU 163 N 0.00 0.66 -0.18 2.45 4.39 -0.76 0.28 114.58 121.42 10gs h GLU 163 Ca -0.03 -0.18 -0.20 0.00 0.34 0.00 0.00 59.36 59.29 10gs h GLU 163 Cb 1.60 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 30.18 10gs h GLU 163 CO 0.10 0.72 -0.69 0.28 -1.16 0.00 0.00 179.01 178.25 10gs h VAL 164 N 0.61 1.29 0.10 3.13 2.07 -1.42 -2.42 116.25 119.61 10gs h VAL 164 Ca 0.12 -1.89 -0.00 0.00 0.82 0.00 0.00 66.70 65.74 10gs h VAL 164 Cb 0.47 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 10gs h VAL 164 CO 0.02 0.60 -0.05 0.25 0.02 0.00 0.00 177.57 178.42 10gs h LEU 165 N 0.51 -0.12 -6.93 2.57 5.85 -1.02 -3.39 115.31 112.78 10gs h LEU 165 Ca -0.04 -0.36 -0.61 0.00 0.84 0.00 0.00 57.88 57.71 10gs h LEU 165 Cb 1.32 0.03 -0.40 0.00 0.37 0.00 0.00 40.66 41.97 10gs h LEU 165 CO 0.14 0.32 -0.72 0.00 -0.34 0.00 0.00 178.44 177.84 10gs s ALA 166 N -4.45 2.62 0.07 1.25 0.00 0.94 -5.09 121.76 117.09 10gs s ALA 166 Ca -0.15 -3.01 -0.36 0.00 0.00 0.00 0.00 51.96 48.45 10gs s ALA 166 Cb 0.02 -1.94 -0.15 0.00 0.00 0.00 0.00 23.12 21.05 10gs s ALA 166 CO 0.61 -2.05 1.53 -2.30 0.00 0.00 0.00 175.76 173.56 10gs n PRO 167 N 2.89 1.68 -0.77 0.00 -0.02 -0.91 -1.49 135.00 136.38 10gs n PRO 167 Ca 0.16 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 10gs n PRO 167 Cb 0.37 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 10gs n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 10gs n GLY 168 N 3.25 0.76 0.32 -1.23 0.00 -1.26 -4.92 105.19 102.11 10gs n GLY 168 Ca 0.19 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.41 10gs n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 10gs n LEU 170 N -3.36 1.26 -0.34 0.00 4.32 -1.26 -4.27 117.00 113.34 10gs n LEU 170 Ca -0.03 -0.39 -0.00 0.00 -0.02 0.00 0.00 56.01 55.57 10gs n LEU 170 Cb 0.09 -0.04 0.13 0.00 -1.62 0.00 0.00 43.42 41.98 10gs n LEU 170 CO 0.23 0.22 1.24 0.44 -1.22 0.00 0.00 177.39 178.30 10gs h ASP 171 N 1.85 0.98 0.32 -1.43 3.32 -1.68 -1.77 116.42 118.01 10gs h ASP 171 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 10gs h ASP 171 Cb 0.47 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.81 10gs h ASP 171 CO 0.00 0.66 0.00 0.00 -1.72 0.00 0.00 179.24 178.18 10gs n ALA 172 N -2.36 2.11 -3.85 3.45 0.00 -1.26 -4.36 120.51 114.24 10gs n ALA 172 Ca 0.12 -0.10 -0.29 0.00 0.00 0.00 0.00 53.44 53.17 10gs n ALA 172 Cb 0.11 -1.33 -0.13 0.00 0.00 0.00 0.00 19.45 18.10 10gs n ALA 172 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 10gs s PHE 173 N -2.47 2.91 0.29 0.00 0.08 -0.67 -4.99 117.98 113.14 10gs s PHE 173 Ca 0.22 -3.01 0.04 0.00 0.12 0.00 0.00 56.93 54.30 10gs s PHE 173 Cb 0.14 -2.48 0.66 0.00 -0.57 0.00 0.00 43.02 40.78 10gs s PHE 173 CO 0.30 -0.70 1.80 -1.00 -0.10 0.00 0.00 175.22 175.52 10gs h PRO 174 N 6.19 0.83 -0.21 0.24 0.13 -1.77 -1.49 132.00 135.92 10gs h PRO 174 Ca 0.02 -0.05 -0.16 0.00 -0.87 0.00 0.00 66.00 64.94 10gs h PRO 174 Cb 0.86 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.81 10gs h PRO 174 CO 0.63 0.55 -0.48 -0.07 -0.23 0.00 0.00 178.00 178.40 10gs h LEU 175 N 0.86 0.79 -0.60 1.56 4.07 -1.94 -2.28 115.31 117.77 10gs h LEU 175 Ca 0.55 -0.56 -0.07 0.00 0.08 0.00 0.00 57.88 57.88 10gs h LEU 175 Cb 0.73 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 10gs h LEU 175 CO -0.34 1.20 0.10 -0.07 -1.08 0.00 0.00 178.44 178.26 10gs h LEU 176 N 0.40 0.95 -0.29 1.67 3.38 -1.82 -0.08 115.31 119.53 10gs h LEU 176 Ca -0.00 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 10gs h LEU 176 Cb 1.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 10gs h LEU 176 CO 0.11 0.97 0.17 0.28 0.09 0.00 0.00 178.44 180.05 10gs h SER 177 N 0.90 0.36 -0.62 -0.43 0.02 -1.29 0.45 113.55 112.94 10gs h SER 177 Ca 0.18 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 10gs h SER 177 Cb 0.42 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 10gs h SER 177 CO 0.01 0.33 0.08 0.00 -1.14 0.00 0.00 176.83 176.11 10gs h ALA 178 N 1.05 0.94 -0.18 3.77 0.00 -1.29 -1.78 119.26 121.77 10gs h ALA 178 Ca 0.10 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.76 10gs h ALA 178 Cb 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 10gs h ALA 178 CO -0.02 0.65 0.07 -0.92 0.00 0.00 0.00 179.25 179.03 10gs h TYR 179 N 0.99 0.12 -0.25 0.00 3.20 -0.57 0.97 116.97 121.43 10gs h TYR 179 Ca 0.19 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 10gs h TYR 179 Cb 0.45 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 10gs h TYR 179 CO 0.03 0.06 0.15 0.28 -1.64 0.00 0.00 178.16 177.04 10gs h VAL 180 N 0.15 1.10 -0.74 1.81 2.07 -0.74 -0.98 116.25 118.94 10gs h VAL 180 Ca 0.08 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 10gs h VAL 180 Cb 0.04 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 10gs h VAL 180 CO -0.08 0.10 0.31 1.23 0.02 0.00 0.00 177.57 179.15 10gs h GLY 181 N 0.31 1.17 0.82 2.17 0.00 -1.08 -0.96 103.07 105.50 10gs h GLY 181 Ca 0.09 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 10gs h GLY 181 CO -0.02 0.59 0.02 -0.09 0.00 0.00 0.00 176.54 177.04 10gs h ARG 182 N 1.05 0.11 -0.50 4.80 2.43 -0.58 -2.59 114.38 119.09 10gs h ARG 182 Ca 0.25 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.27 10gs h ARG 182 Cb 0.19 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 10gs h ARG 182 CO -0.02 0.28 -0.18 -0.07 -1.51 0.00 0.00 179.97 178.47 10gs h LEU 183 N -0.09 1.02 -1.71 3.80 3.38 -1.12 -2.70 115.31 117.90 10gs h LEU 183 Ca 0.02 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.61 10gs h LEU 183 Cb 0.22 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.69 10gs h LEU 183 CO -0.00 1.17 0.00 0.28 0.09 0.00 0.00 178.44 179.98 10gs h SER 184 N 0.86 0.00 0.60 -0.43 0.02 -1.14 -2.16 113.55 111.31 10gs h SER 184 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 10gs h SER 184 Cb 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 10gs h SER 184 CO 0.06 0.00 -0.45 0.00 -1.14 0.00 0.00 176.83 175.30 10gs n ALA 185 N -1.89 3.32 -1.71 3.77 0.00 -0.98 -3.96 120.51 119.06 10gs n ALA 185 Ca -0.01 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 10gs n ALA 185 Cb 0.11 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 10gs n ALA 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 10gs n ARG 186 N -1.57 2.75 -0.03 0.00 1.74 -0.81 -4.78 116.66 113.95 10gs n ARG 186 Ca 0.05 0.99 -0.01 0.00 -0.77 0.00 0.00 57.85 58.12 10gs n ARG 186 Cb 0.35 -2.85 -0.01 0.00 -1.02 0.00 0.00 32.46 28.93 10gs n ARG 186 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 10gs n PRO 187 N 4.54 -0.04 -0.12 5.56 -0.02 -1.26 -0.12 135.00 143.54 10gs n PRO 187 Ca 0.17 0.78 -0.02 0.00 -2.02 0.00 0.00 63.50 62.41 10gs n PRO 187 Cb 0.35 -1.16 0.22 0.00 -0.02 0.00 0.00 33.50 32.89 10gs n PRO 187 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 10gs h LYS 188 N 0.00 0.80 -0.37 -0.52 1.57 -1.90 -2.39 116.57 113.76 10gs h LYS 188 Ca 0.01 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.50 10gs h LYS 188 Cb 0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 10gs h LYS 188 CO -0.08 0.70 -0.36 1.25 -0.57 0.00 0.00 179.45 180.40 10gs h LEU 189 N 0.78 0.95 -0.48 2.94 6.46 -1.72 -2.07 115.31 122.18 10gs h LEU 189 Ca 0.18 -0.46 -0.02 0.00 -0.12 0.00 0.00 57.88 57.46 10gs h LEU 189 Cb 0.24 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.88 10gs h LEU 189 CO -0.01 1.22 0.24 0.50 -0.62 0.00 0.00 178.44 179.77 10gs h LYS 190 N 0.70 0.69 -0.39 1.25 3.64 -0.36 0.09 116.57 122.20 10gs h LYS 190 Ca 0.06 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 10gs h LYS 190 Cb 0.95 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 10gs h LYS 190 CO 0.09 0.58 0.22 0.00 -2.27 0.00 0.00 179.45 178.07 10gs h ALA 191 N 1.08 0.50 -0.41 5.00 0.00 -1.40 -2.60 119.26 121.44 10gs h ALA 191 Ca 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 10gs h ALA 191 Cb 0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 10gs h ALA 191 CO -0.02 0.03 0.14 0.35 0.00 0.00 0.00 179.25 179.75 10gs h PHE 192 N 0.51 0.65 0.00 0.00 3.57 -1.12 -2.46 116.94 118.08 10gs h PHE 192 Ca 0.14 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 10gs h PHE 192 Cb 0.05 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.60 10gs h PHE 192 CO -0.03 0.59 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.53 10gs h LEU 193 N 0.52 0.00 0.00 0.59 3.38 -0.86 -2.44 115.31 116.49 10gs h LEU 193 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 10gs h LEU 193 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 10gs h LEU 193 CO -0.01 0.04 -0.96 0.00 0.09 0.00 0.00 178.44 177.60 10gs n ALA 194 N -2.15 3.51 -1.46 1.53 0.00 -0.99 -4.46 120.51 116.49 10gs n ALA 194 Ca -0.02 -0.41 -0.32 0.00 0.00 0.00 0.00 53.44 52.69 10gs n ALA 194 Cb 0.20 -0.98 0.06 0.00 0.00 0.00 0.00 19.45 18.73 10gs n ALA 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 10gs s SER 195 N -3.76 5.04 0.40 0.00 1.04 -0.92 -4.81 113.70 110.69 10gs s SER 195 Ca 0.05 1.90 0.09 0.00 0.48 0.00 0.00 55.95 58.48 10gs s SER 195 Cb 0.15 -2.54 0.82 0.00 0.10 0.00 0.00 66.02 64.55 10gs s SER 195 CO 0.79 -1.68 1.95 -0.65 0.98 0.00 0.00 173.24 174.64 10gs h PRO 196 N -0.30 0.27 -1.00 4.02 0.11 -1.93 -0.11 132.00 133.05 10gs h PRO 196 Ca -0.46 -0.05 0.16 0.00 0.11 0.00 0.00 66.00 65.76 10gs h PRO 196 Cb 1.24 -0.04 -0.10 0.00 0.11 0.00 0.00 31.00 32.21 10gs h PRO 196 CO 0.54 0.35 0.62 1.49 -0.21 0.00 0.00 178.00 180.79 10gs h GLU 197 N 0.26 0.84 0.00 1.05 4.81 -1.92 -0.61 114.58 119.01 10gs h GLU 197 Ca 0.06 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 10gs h GLU 197 Cb 0.29 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 10gs h GLU 197 CO 0.01 0.56 -1.04 0.98 -0.73 0.00 0.00 179.01 178.79 10gs n TYR 198 N -4.70 0.54 -0.33 0.92 9.36 -0.97 -4.51 117.16 117.47 10gs n TYR 198 Ca 0.21 0.23 0.06 0.00 3.32 0.00 0.00 57.90 61.73 10gs n TYR 198 Cb 0.48 -0.77 0.22 0.00 -0.63 0.00 0.00 39.34 38.64 10gs n TYR 198 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 10gs h VAL 199 N -1.00 0.89 -0.14 2.97 2.07 -1.05 -2.69 116.25 117.30 10gs h VAL 199 Ca -0.15 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.07 10gs h VAL 199 Cb 0.93 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 10gs h VAL 199 CO -0.09 0.16 0.00 0.59 0.02 0.00 0.00 177.57 178.25 10gs n ASN 200 N -4.69 0.80 -4.69 0.57 3.02 -0.24 -4.79 115.26 105.24 10gs n ASN 200 Ca 0.17 -1.91 -0.35 0.00 -0.03 0.00 0.00 54.58 52.46 10gs n ASN 200 Cb 0.34 -0.09 -0.09 0.00 -0.61 0.00 0.00 39.78 39.34 10gs n ASN 200 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 10gs s LEU 201 N -1.12 3.90 0.57 3.41 2.96 -1.02 -5.06 118.68 122.32 10gs s LEU 201 Ca 0.14 0.17 -0.18 0.00 -0.22 0.00 0.00 54.13 54.04 10gs s LEU 201 Cb 0.07 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 10gs s LEU 201 CO 0.10 0.25 1.11 -2.16 -1.32 0.00 0.00 176.35 174.34 10gs s PRO 202 N -0.11 3.24 0.03 0.98 0.04 -1.26 -4.70 135.00 133.22 10gs s PRO 202 Ca 0.07 1.51 -0.25 0.00 0.04 0.00 0.00 61.00 62.37 10gs s PRO 202 Cb -0.12 -2.00 -0.18 0.00 0.04 0.00 0.00 34.50 32.25 10gs s PRO 202 CO 0.01 -0.92 1.49 0.82 0.04 0.00 0.00 177.00 178.44 10gs h ILE 203 N 0.87 1.13 -2.06 0.56 2.04 -1.95 -1.02 117.51 117.08 10gs h ILE 203 Ca -0.49 -0.54 -0.60 0.00 1.00 0.00 0.00 64.86 64.23 10gs h ILE 203 Cb 1.25 1.49 -0.12 0.00 -0.74 0.00 0.00 36.82 38.69 10gs h ILE 203 CO 0.56 0.14 -0.69 0.20 0.00 0.00 0.00 178.15 178.36 10gs s ASN 204 N -5.38 3.90 0.00 1.72 0.01 -1.26 -0.91 114.94 113.02 10gs s ASN 204 Ca -0.14 -1.02 0.18 0.00 -0.71 0.00 0.00 52.86 51.16 10gs s ASN 204 Cb 0.04 -0.44 0.77 0.00 0.41 0.00 0.00 41.25 42.03 10gs s ASN 204 CO 0.66 -0.11 1.57 0.61 -1.51 0.00 0.00 177.10 178.31 10gs n GLY 205 N -0.79 -1.09 0.78 0.66 0.00 -1.26 -3.22 105.19 100.27 10gs n GLY 205 Ca -0.05 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 45.97 10gs n GLY 205 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 10gs n ASN 206 N -1.48 3.32 0.00 1.61 6.94 -1.26 -4.97 115.26 119.43 10gs n ASN 206 Ca 0.05 -2.32 0.00 0.00 -0.02 0.00 0.00 54.58 52.29 10gs n ASN 206 Cb 0.20 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 10gs n ASN 206 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 10gs n GLY 207 N 0.27 0.50 3.91 4.83 0.00 -1.20 -5.00 105.19 108.50 10gs n GLY 207 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 10gs n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 10gs s LYS 208 N -0.52 3.53 0.00 1.61 1.02 -1.26 -5.01 119.74 119.11 10gs s LYS 208 Ca 0.00 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 55.72 10gs s LYS 208 Cb 0.00 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.38 10gs s LYS 208 CO 0.00 0.53 0.00 0.00 -0.92 0.00 0.00 175.35 174.96