#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 13gs s TYR 3 N 0.00 3.58 -0.04 0.54 2.02 -1.26 -1.95 117.35 120.25 13gs s TYR 3 Ca 0.00 0.59 -0.01 0.00 -0.37 0.00 0.00 57.07 57.27 13gs s TYR 3 Cb 0.00 -2.08 0.03 0.00 -0.40 0.00 0.00 41.96 39.51 13gs s TYR 3 CO 0.00 0.60 0.06 0.99 -1.57 0.00 0.00 175.55 175.63 13gs s THR 4 N -0.66 -0.09 -0.15 -0.71 2.01 -0.70 -0.70 115.64 114.63 13gs s THR 4 Ca 0.16 0.31 -0.01 0.00 0.31 0.00 0.00 61.69 62.46 13gs s THR 4 Cb -0.13 -0.14 -0.01 0.00 0.01 0.00 0.00 72.50 72.23 13gs s THR 4 CO 0.05 0.13 -0.12 0.68 -0.69 0.00 0.00 174.62 174.66 13gs s VAL 5 N 1.61 3.03 -0.27 3.82 -7.23 -0.09 -1.15 120.40 120.13 13gs s VAL 5 Ca -0.03 -0.65 -0.07 0.00 -1.81 0.00 0.00 61.98 59.42 13gs s VAL 5 Cb -0.12 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.51 13gs s VAL 5 CO -0.03 0.51 0.08 -0.69 -0.31 0.00 0.00 175.10 174.65 13gs s VAL 6 N 0.58 4.20 0.28 1.32 1.01 -0.00 -0.95 120.40 126.84 13gs s VAL 6 Ca -0.07 -0.37 -0.21 0.00 0.00 0.00 0.00 61.98 61.33 13gs s VAL 6 Cb -0.15 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.20 13gs s VAL 6 CO 0.03 0.23 0.71 -0.47 0.00 0.00 0.00 175.10 175.61 13gs s TYR 7 N 1.58 -0.17 0.70 5.22 5.04 -0.89 -2.07 117.35 126.77 13gs s TYR 7 Ca 0.05 -0.29 -0.12 0.00 -2.44 0.00 0.00 57.07 54.27 13gs s TYR 7 Cb -0.16 0.69 0.02 0.00 0.35 0.00 0.00 41.96 42.86 13gs s TYR 7 CO 0.03 -1.23 1.07 -0.06 -1.34 0.00 0.00 175.55 174.02 13gs s PHE 8 N -3.92 2.91 -0.77 4.97 0.08 -1.26 -0.85 117.98 119.15 13gs s PHE 8 Ca 0.11 1.48 -0.06 0.00 0.12 0.00 0.00 56.93 58.58 13gs s PHE 8 Cb -0.06 -2.96 -0.11 0.00 -0.57 0.00 0.00 43.02 39.32 13gs s PHE 8 CO 0.07 -1.42 2.54 -0.35 -0.10 0.00 0.00 175.22 175.97 13gs n PRO 9 N -3.07 2.25 -4.26 0.24 -0.04 -1.26 -4.80 135.00 124.07 13gs n PRO 9 Ca 0.08 -1.38 -0.14 0.00 -0.04 0.00 0.00 63.50 62.02 13gs n PRO 9 Cb 0.53 -2.33 -0.10 0.00 -0.04 0.00 0.00 33.50 31.56 13gs n PRO 9 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 13gs s VAL 10 N 2.46 0.64 -0.08 0.52 -7.23 -1.26 -4.39 120.40 111.06 13gs s VAL 10 Ca 0.50 -1.99 -0.12 0.00 -1.81 0.00 0.00 61.98 58.56 13gs s VAL 10 Cb 0.17 -2.26 -0.09 0.00 0.56 0.00 0.00 36.38 34.76 13gs s VAL 10 CO -0.03 -0.35 0.45 0.03 -0.31 0.00 0.00 175.10 174.89 13gs h ARG 11 N 2.61 -0.16 0.00 4.82 3.08 -1.25 -3.46 114.38 120.02 13gs h ARG 11 Ca -0.37 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.69 13gs h ARG 11 Cb 1.22 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.30 13gs h ARG 11 CO 0.62 0.11 0.00 0.41 -1.07 0.00 0.00 179.97 180.04 13gs n GLY 12 N 1.18 1.87 0.00 0.04 0.00 -0.11 -0.99 105.19 107.17 13gs n GLY 12 Ca -0.05 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.03 13gs n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 13gs n ARG 13 N 11.93 0.71 0.00 1.61 1.74 -1.26 -3.09 116.66 128.30 13gs n ARG 13 Ca 0.00 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.17 13gs n ARG 13 Cb 0.00 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 29.85 13gs n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 13gs h ALA 15 N 2.73 0.33 -0.50 0.00 0.00 -1.27 -1.83 119.26 118.73 13gs h ALA 15 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 13gs h ALA 15 Cb 0.47 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 13gs h ALA 15 CO 0.00 -0.36 0.17 0.00 0.00 0.00 0.00 179.25 179.06 13gs h ALA 16 N 1.26 0.65 -0.01 0.00 0.00 -1.83 -1.14 119.26 118.20 13gs h ALA 16 Ca 0.16 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 13gs h ALA 16 Cb 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 13gs h ALA 16 CO -0.23 0.29 -0.48 1.37 0.00 0.00 0.00 179.25 180.21 13gs h LEU 17 N 0.67 0.02 -0.47 0.00 8.10 -1.80 -1.05 115.31 120.79 13gs h LEU 17 Ca 0.16 -0.01 -0.15 0.00 0.11 0.00 0.00 57.88 57.99 13gs h LEU 17 Cb 0.25 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.45 13gs h LEU 17 CO -0.01 0.49 -0.35 0.03 -4.11 0.00 0.00 178.44 174.50 13gs h ARG 18 N 0.02 0.89 -0.70 0.17 3.08 -1.07 -1.07 114.38 115.70 13gs h ARG 18 Ca -0.00 -0.44 -0.06 0.00 0.07 0.00 0.00 59.98 59.55 13gs h ARG 18 Cb 0.85 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 13gs h ARG 18 CO 0.06 1.09 0.22 0.52 -1.07 0.00 0.00 179.97 180.80 13gs h MET 19 N 0.74 1.08 0.28 0.04 2.86 -0.84 -0.97 114.93 118.12 13gs h MET 19 Ca 0.07 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 13gs h MET 19 Cb 0.92 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.42 13gs h MET 19 CO 0.09 0.92 -0.13 1.25 1.06 0.00 0.00 176.91 180.09 13gs h LEU 20 N 1.04 -0.31 -0.51 1.22 6.46 -0.94 -0.74 115.31 121.51 13gs h LEU 20 Ca 0.23 -0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.96 13gs h LEU 20 Cb 0.29 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 13gs h LEU 20 CO -0.01 -0.15 0.32 -0.07 -0.62 0.00 0.00 178.44 177.91 13gs h LEU 21 N -0.45 0.53 0.23 2.25 3.38 -1.07 -0.90 115.31 119.28 13gs h LEU 21 Ca -0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 13gs h LEU 21 Cb 0.34 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.98 13gs h LEU 21 CO 0.06 0.38 -0.11 0.00 0.09 0.00 0.00 178.44 178.86 13gs h ALA 22 N 1.21 -0.31 -0.04 1.53 0.00 -1.10 -0.14 119.26 120.42 13gs h ALA 22 Ca 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 13gs h ALA 22 Cb -0.02 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 13gs h ALA 22 CO -0.07 -0.63 -0.09 0.22 0.00 0.00 0.00 179.25 178.68 13gs h ASP 23 N -0.39 0.05 -0.10 0.00 3.58 -1.01 -1.28 116.42 117.26 13gs h ASP 23 Ca -0.03 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.41 13gs h ASP 23 Cb 0.30 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.33 13gs h ASP 23 CO 0.05 0.14 0.00 0.00 -2.88 0.00 0.00 179.24 176.56 13gs n GLN 24 N -4.41 1.50 -1.82 0.28 1.13 -0.35 -4.84 117.38 108.88 13gs n GLN 24 Ca -0.02 -0.75 -0.10 0.00 -1.94 0.00 0.00 57.00 54.18 13gs n GLN 24 Cb 0.18 -1.38 -0.02 0.00 0.11 0.00 0.00 30.24 29.13 13gs n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 13gs n GLY 25 N 1.04 0.45 3.90 1.08 0.00 -0.48 -5.03 105.19 106.15 13gs n GLY 25 Ca 0.16 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 13gs n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 13gs s GLN 26 N -3.82 3.63 -0.01 1.61 -1.52 -0.10 -5.03 119.66 114.42 13gs s GLN 26 Ca 0.00 -0.06 -0.02 0.00 -1.95 0.00 0.00 55.36 53.34 13gs s GLN 26 Cb 0.00 -2.78 -0.04 0.00 -0.22 0.00 0.00 33.01 29.97 13gs s GLN 26 CO 0.00 0.39 0.14 -1.12 -0.25 0.00 0.00 175.29 174.45 13gs s SER 27 N -2.65 6.09 0.14 5.90 0.01 -1.26 -4.51 113.70 117.42 13gs s SER 27 Ca 0.42 0.27 -0.13 0.00 1.31 0.00 0.00 55.95 57.82 13gs s SER 27 Cb -0.12 -1.85 0.02 0.00 0.21 0.00 0.00 66.02 64.28 13gs s SER 27 CO 0.26 0.27 0.34 -1.66 0.41 0.00 0.00 173.24 172.86 13gs s TRP 28 N -1.26 0.02 -0.10 2.43 -2.14 -1.26 -4.31 118.94 112.33 13gs s TRP 28 Ca 0.25 -0.38 0.00 0.00 2.66 0.00 0.00 56.10 58.63 13gs s TRP 28 Cb -0.12 0.14 -0.02 0.00 -3.10 0.00 0.00 33.47 30.36 13gs s TRP 28 CO 0.16 -0.70 -0.09 0.21 -2.66 0.00 0.00 176.95 173.87 13gs s LYS 29 N -3.86 3.06 -0.19 3.25 2.47 0.12 -4.98 119.74 119.61 13gs s LYS 29 Ca 0.07 -0.60 -0.09 0.00 -1.56 0.00 0.00 55.97 53.79 13gs s LYS 29 Cb 0.02 -2.63 -0.05 0.00 -1.46 0.00 0.00 37.83 33.72 13gs s LYS 29 CO -0.08 0.45 0.11 -1.21 0.16 0.00 0.00 175.35 174.78 13gs s GLU 30 N -0.25 4.06 -0.34 4.03 0.41 -1.26 -0.91 118.70 124.44 13gs s GLU 30 Ca 0.03 -0.26 -0.00 0.00 -0.41 0.00 0.00 54.97 54.33 13gs s GLU 30 Cb -0.13 -3.33 0.08 0.00 -1.78 0.00 0.00 34.13 28.97 13gs s GLU 30 CO 0.03 0.32 0.06 -1.21 -0.49 0.00 0.00 175.26 173.97 13gs s GLU 31 N 0.26 2.06 0.05 1.61 0.41 -0.13 -4.96 118.70 118.01 13gs s GLU 31 Ca 0.07 -1.58 -0.30 0.00 -0.41 0.00 0.00 54.97 52.75 13gs s GLU 31 Cb -0.11 -3.27 -0.04 0.00 -1.78 0.00 0.00 34.13 28.92 13gs s GLU 31 CO -0.01 -0.82 1.00 0.08 -0.49 0.00 0.00 175.26 175.02 13gs s VAL 32 N 1.12 4.62 -0.28 2.63 1.01 -1.26 -2.08 120.40 126.16 13gs s VAL 32 Ca 0.02 1.99 -0.04 0.00 0.00 0.00 0.00 61.98 63.95 13gs s VAL 32 Cb -0.21 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 31.92 13gs s VAL 32 CO -0.04 0.21 0.02 -0.69 0.00 0.00 0.00 175.10 174.60 13gs s VAL 33 N 0.61 3.43 0.48 2.92 1.01 -0.03 -4.93 120.40 123.89 13gs s VAL 33 Ca 0.51 -0.93 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 13gs s VAL 33 Cb -0.23 -2.80 -0.07 0.00 0.00 0.00 0.00 36.38 33.29 13gs s VAL 33 CO 0.29 0.08 0.90 0.42 0.00 0.00 0.00 175.10 176.79 13gs s THR 34 N 1.40 4.65 0.50 3.92 -4.23 -1.26 -4.06 115.64 116.56 13gs s THR 34 Ca 0.00 0.93 0.22 0.00 -1.18 0.00 0.00 61.69 61.67 13gs s THR 34 Cb -0.17 -3.74 0.38 0.00 1.34 0.00 0.00 72.50 70.30 13gs s THR 34 CO -0.01 -0.67 1.99 1.62 -0.54 0.00 0.00 174.62 177.01 13gs h VAL 35 N 0.86 0.77 0.71 2.29 3.04 -1.99 -0.76 116.25 121.17 13gs h VAL 35 Ca -0.47 -0.04 -0.03 0.00 -1.01 0.00 0.00 66.70 65.15 13gs h VAL 35 Cb 1.19 0.65 0.01 0.00 -2.01 0.00 0.00 31.29 31.12 13gs h VAL 35 CO 0.62 0.02 -0.34 -0.33 -1.01 0.00 0.00 177.57 176.53 13gs h GLU 36 N 0.11 -0.92 -0.91 4.17 5.08 -1.98 -0.73 114.58 119.41 13gs h GLU 36 Ca 0.27 0.06 0.13 0.00 -1.00 0.00 0.00 59.36 58.82 13gs h GLU 36 Cb 0.91 0.21 -0.09 0.00 0.50 0.00 0.00 28.75 30.28 13gs h GLU 36 CO -0.03 -0.58 0.53 1.15 -1.00 0.00 0.00 179.01 179.08 13gs h THR 37 N -1.12 0.84 -0.23 1.13 2.02 -1.69 -2.02 112.91 111.84 13gs h THR 37 Ca -0.10 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 13gs h THR 37 Cb 0.76 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 13gs h THR 37 CO 0.16 0.15 0.01 -0.25 0.37 0.00 0.00 175.52 175.96 13gs h TRP 38 N 0.81 0.43 0.00 3.16 2.91 -1.11 -2.76 115.95 119.38 13gs h TRP 38 Ca 0.47 -0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.42 13gs h TRP 38 Cb 0.55 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.08 13gs h TRP 38 CO -0.04 0.55 0.00 1.04 -1.03 0.00 0.00 178.44 178.96 13gs n GLN 39 N -4.68 0.04 0.14 2.65 6.02 -0.29 -1.95 117.38 119.31 13gs n GLN 39 Ca -0.04 0.26 0.01 0.00 -0.01 0.00 0.00 57.00 57.22 13gs n GLN 39 Cb 0.22 -1.50 0.30 0.00 1.02 0.00 0.00 30.24 30.28 13gs n GLN 39 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 13gs h GLU 40 N 0.00 0.10 0.00 -1.09 4.22 -1.08 -3.48 114.58 113.26 13gs h GLU 40 Ca 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.40 13gs h GLU 40 Cb 0.19 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 13gs h GLU 40 CO 0.00 0.48 0.00 0.41 -2.18 0.00 0.00 179.01 177.72 13gs n GLY 41 N -0.34 3.04 0.19 1.92 0.00 -0.82 -4.94 105.19 104.22 13gs n GLY 41 Ca -0.02 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 13gs n GLY 41 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 13gs h SER 42 N 0.02 0.52 -0.13 1.61 4.64 -1.85 -1.65 113.55 116.71 13gs h SER 42 Ca 0.00 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 13gs h SER 42 Cb 0.00 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 13gs h SER 42 CO 0.00 0.46 0.05 0.25 -0.87 0.00 0.00 176.83 176.71 13gs h LEU 43 N 0.53 0.19 -0.43 5.97 6.46 -1.88 -2.70 115.31 123.46 13gs h LEU 43 Ca 0.15 -0.19 0.08 0.00 -0.12 0.00 0.00 57.88 57.80 13gs h LEU 43 Cb 0.06 -0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 39.86 13gs h LEU 43 CO -0.02 0.33 -0.04 0.50 -0.62 0.00 0.00 178.44 178.59 13gs h LYS 44 N 0.04 0.06 0.00 1.25 3.64 -1.81 -1.19 116.57 118.56 13gs h LYS 44 Ca 0.04 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 13gs h LYS 44 Cb 0.21 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 13gs h LYS 44 CO -0.00 0.04 -0.04 0.00 -2.27 0.00 0.00 179.45 177.18 13gs h ALA 45 N 1.40 1.49 0.00 5.00 0.00 -1.19 -1.88 119.26 124.08 13gs h ALA 45 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 13gs h ALA 45 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 13gs h ALA 45 CO -0.39 0.05 -0.58 -1.13 0.00 0.00 0.00 179.25 177.20 13gs n SER 46 N -3.85 0.59 -4.71 0.00 3.41 -0.50 -4.84 113.62 103.72 13gs n SER 46 Ca -0.03 -0.02 -0.42 0.00 -0.26 0.00 0.00 58.87 58.14 13gs n SER 46 Cb 0.13 0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 13gs n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 13gs h LEU 48 N 6.96 -1.23 -3.37 0.00 5.85 -1.87 -0.69 115.31 120.94 13gs h LEU 48 Ca -0.40 0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 13gs h LEU 48 Cb 1.21 0.65 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 13gs h LEU 48 CO 0.79 -0.29 0.01 -1.22 -0.34 0.00 0.00 178.44 177.38 13gs n TYR 49 N -5.47 1.34 -2.05 1.25 4.01 -1.26 -4.94 117.16 110.04 13gs n TYR 49 Ca 0.08 -0.88 -0.16 0.00 -0.16 0.00 0.00 57.90 56.78 13gs n TYR 49 Cb 0.39 -0.40 -0.03 0.00 -0.31 0.00 0.00 39.34 38.99 13gs n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 13gs n GLY 50 N -0.22 0.29 3.13 2.72 0.00 -0.27 -5.00 105.19 105.86 13gs n GLY 50 Ca 0.25 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 13gs n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 13gs s GLN 51 N -4.36 0.72 0.31 1.61 -0.21 -1.26 -4.93 119.66 111.54 13gs s GLN 51 Ca 0.00 -1.19 0.08 0.00 0.02 0.00 0.00 55.36 54.27 13gs s GLN 51 Cb 0.00 0.25 -0.03 0.00 1.00 0.00 0.00 33.01 34.22 13gs s GLN 51 CO 0.00 -0.17 0.20 -0.51 -2.12 0.00 0.00 175.29 172.68 13gs s LEU 52 N -2.92 3.51 0.72 2.90 1.43 -1.26 -4.70 118.68 118.36 13gs s LEU 52 Ca 0.09 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 13gs s LEU 52 Cb 0.07 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.26 13gs s LEU 52 CO -0.08 -0.23 1.10 -2.16 0.23 0.00 0.00 176.35 175.21 13gs s PRO 53 N -3.89 2.48 -0.02 1.29 0.04 -1.26 -4.93 135.00 128.72 13gs s PRO 53 Ca 0.37 1.27 0.07 0.00 0.04 0.00 0.00 61.00 62.74 13gs s PRO 53 Cb -0.05 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 13gs s PRO 53 CO 0.24 -1.48 -0.22 0.21 0.04 0.00 0.00 177.00 175.80 13gs s LYS 54 N -4.55 1.78 0.01 4.56 2.20 -0.88 -3.85 119.74 119.00 13gs s LYS 54 Ca 0.64 -0.77 0.03 0.00 -0.36 0.00 0.00 55.97 55.50 13gs s LYS 54 Cb -0.19 -1.70 -0.01 0.00 -1.51 0.00 0.00 37.83 34.42 13gs s LYS 54 CO 0.50 0.46 -0.08 0.12 -0.36 0.00 0.00 175.35 175.98 13gs s PHE 55 N -0.48 0.73 -0.04 4.03 5.36 -0.04 -0.82 117.98 126.71 13gs s PHE 55 Ca 0.08 -0.22 0.04 0.00 -0.96 0.00 0.00 56.93 55.86 13gs s PHE 55 Cb -0.09 -0.45 0.00 0.00 -0.34 0.00 0.00 43.02 42.14 13gs s PHE 55 CO -0.01 -0.02 -0.14 -0.65 -1.46 0.00 0.00 175.22 172.94 13gs s GLN 56 N -0.56 1.58 -0.38 10.12 -0.21 -0.30 -0.21 119.66 129.69 13gs s GLN 56 Ca 0.00 -0.50 0.01 0.00 0.02 0.00 0.00 55.36 54.89 13gs s GLN 56 Cb -0.05 -1.38 0.12 0.00 1.00 0.00 0.00 33.01 32.70 13gs s GLN 56 CO 0.00 0.18 0.16 0.34 -2.12 0.00 0.00 175.29 173.85 13gs s ASP 57 N 0.18 3.98 1.51 5.90 -1.08 0.02 -1.73 116.67 125.45 13gs s ASP 57 Ca -0.06 -2.23 0.00 0.00 -0.52 0.00 0.00 52.55 49.74 13gs s ASP 57 Cb -0.12 -1.09 0.00 0.00 -1.46 0.00 0.00 42.92 40.26 13gs s ASP 57 CO 0.02 -0.33 0.00 0.61 0.52 0.00 0.00 175.17 175.99 13gs n GLY 58 N 4.08 2.90 1.15 2.66 0.00 -0.82 -1.57 105.19 113.58 13gs n GLY 58 Ca 0.04 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.93 13gs n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 13gs n ASP 59 N 8.01 3.72 -4.63 1.61 5.75 -1.26 -4.88 116.55 124.86 13gs n ASP 59 Ca 0.00 -2.06 -0.41 0.00 -0.01 0.00 0.00 54.79 52.31 13gs n ASP 59 Cb 0.00 -0.42 -0.06 0.00 -1.03 0.00 0.00 41.12 39.61 13gs n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 13gs s LEU 60 N -1.11 4.07 -0.19 -2.12 0.20 -0.61 -5.04 118.68 113.88 13gs s LEU 60 Ca 0.41 0.77 -0.04 0.00 0.69 0.00 0.00 54.13 55.97 13gs s LEU 60 Cb 0.22 -2.92 -0.02 0.00 -0.43 0.00 0.00 46.19 43.04 13gs s LEU 60 CO 0.27 -0.40 -0.02 -0.89 -0.29 0.00 0.00 176.35 175.01 13gs s THR 61 N 2.57 3.81 0.23 3.68 2.01 -1.26 -0.80 115.64 125.88 13gs s THR 61 Ca 0.28 -0.37 0.11 0.00 0.31 0.00 0.00 61.69 62.02 13gs s THR 61 Cb -0.15 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.61 13gs s THR 61 CO 0.08 0.45 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.50 13gs s LEU 62 N 0.83 2.52 0.15 4.42 1.02 0.70 -4.97 118.68 123.35 13gs s LEU 62 Ca -0.00 -0.95 0.02 0.00 0.02 0.00 0.00 54.13 53.21 13gs s LEU 62 Cb -0.14 -1.05 -0.04 0.00 0.02 0.00 0.00 46.19 44.97 13gs s LEU 62 CO 0.02 0.04 -0.02 -0.31 0.02 0.00 0.00 176.35 176.10 13gs s TYR 63 N -2.22 1.08 0.00 0.29 2.02 -1.26 -0.86 117.35 116.40 13gs s TYR 63 Ca 0.24 -1.00 0.00 0.00 -0.37 0.00 0.00 57.07 55.94 13gs s TYR 63 Cb -0.06 -0.62 0.00 0.00 -0.40 0.00 0.00 41.96 40.89 13gs s TYR 63 CO 0.11 -0.22 0.00 1.04 -1.57 0.00 0.00 175.55 174.92 13gs n GLN 64 N -0.17 0.00 -0.31 -0.62 1.13 -1.25 -4.58 117.38 111.59 13gs n GLN 64 Ca -0.08 0.42 0.06 0.00 -1.94 0.00 0.00 57.00 55.47 13gs n GLN 64 Cb 0.62 -0.28 0.22 0.00 0.11 0.00 0.00 30.24 30.92 13gs n GLN 64 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 13gs h SER 65 N 0.00 0.63 0.81 1.08 4.64 -1.90 -1.56 113.55 117.25 13gs h SER 65 Ca 0.00 0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.31 13gs h SER 65 Cb 0.00 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 13gs h SER 65 CO 0.00 0.30 -0.42 0.78 -0.87 0.00 0.00 176.83 176.62 13gs h ASN 66 N 0.72 0.00 -0.37 4.97 2.35 -1.93 -1.22 115.58 120.10 13gs h ASN 66 Ca 0.46 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.12 13gs h ASN 66 Cb 0.57 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 13gs h ASN 66 CO -0.32 0.42 -0.12 0.74 -1.65 0.00 0.00 177.43 176.50 13gs h THR 67 N 0.00 1.28 -0.37 2.81 2.02 -1.57 -0.77 112.91 116.31 13gs h THR 67 Ca -0.00 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 13gs h THR 67 Cb 0.94 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 13gs h THR 67 CO 0.05 0.40 0.19 0.40 0.37 0.00 0.00 175.52 176.93 13gs h ILE 68 N 0.54 1.16 -0.49 3.11 2.04 -1.10 0.10 117.51 122.87 13gs h ILE 68 Ca 0.09 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.51 13gs h ILE 68 Cb 0.64 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 13gs h ILE 68 CO 0.04 0.17 0.31 -0.07 0.00 0.00 0.00 178.15 178.60 13gs h LEU 69 N 0.47 0.57 -0.83 1.44 3.38 -1.09 -1.26 115.31 117.98 13gs h LEU 69 Ca 0.13 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 13gs h LEU 69 Cb 0.10 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 13gs h LEU 69 CO -0.02 0.43 -0.05 0.03 0.09 0.00 0.00 178.44 178.92 13gs h ARG 70 N 0.65 0.82 -0.25 1.13 3.08 -0.89 0.16 114.38 119.08 13gs h ARG 70 Ca 0.18 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 13gs h ARG 70 Cb -0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 13gs h ARG 70 CO -0.04 0.86 0.11 1.25 -1.07 0.00 0.00 179.97 181.08 13gs h HIS 71 N 0.75 0.38 -0.42 3.04 2.76 -0.65 0.63 115.15 121.65 13gs h HIS 71 Ca 0.14 -0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.19 13gs h HIS 71 Cb 0.53 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 13gs h HIS 71 CO 0.03 0.38 -0.12 -0.07 -1.30 0.00 0.00 177.93 176.85 13gs h LEU 72 N 0.27 0.74 -0.83 0.26 4.07 -1.04 -0.40 115.31 118.37 13gs h LEU 72 Ca 0.09 -0.22 -0.03 0.00 0.08 0.00 0.00 57.88 57.80 13gs h LEU 72 Cb 0.15 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 41.66 13gs h LEU 72 CO -0.01 0.88 0.41 1.23 -1.08 0.00 0.00 178.44 179.87 13gs h GLY 73 N 0.97 1.27 0.61 0.83 0.00 -0.27 0.05 103.07 106.54 13gs h GLY 73 Ca 0.11 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 13gs h GLY 73 CO 0.04 0.59 -0.14 -0.09 0.00 0.00 0.00 176.54 176.94 13gs h ARG 74 N 1.17 0.22 0.00 4.80 2.43 -0.56 0.30 114.38 122.75 13gs h ARG 74 Ca 0.29 -0.14 -0.13 0.00 -0.81 0.00 0.00 59.98 59.19 13gs h ARG 74 Cb 0.10 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 13gs h ARG 74 CO -0.04 0.73 -0.60 1.79 -1.51 0.00 0.00 179.97 180.34 13gs h THR 75 N -0.26 1.17 -0.03 0.20 1.35 -1.01 -3.25 112.91 111.08 13gs h THR 75 Ca 0.00 -2.28 0.00 0.00 -0.55 0.00 0.00 66.41 63.58 13gs h THR 75 Cb 0.72 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 13gs h THR 75 CO 0.03 0.59 -0.10 0.18 -0.25 0.00 0.00 175.52 175.97 13gs n LEU 76 N -3.44 2.68 -1.39 3.87 4.32 -0.00 -4.99 117.00 118.04 13gs n LEU 76 Ca 0.00 -0.91 -0.06 0.00 -0.02 0.00 0.00 56.01 55.02 13gs n LEU 76 Cb 0.70 -0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.52 13gs n LEU 76 CO 0.41 0.45 0.06 0.61 -1.22 0.00 0.00 177.39 177.71 13gs n GLY 77 N 1.35 0.50 2.22 -0.72 0.00 -0.91 -4.98 105.19 102.65 13gs n GLY 77 Ca 0.13 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 13gs n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 13gs n LEU 78 N -1.74 4.85 -2.09 0.99 4.77 0.10 -4.76 117.00 119.11 13gs n LEU 78 Ca -0.01 -4.95 -0.09 0.00 -0.03 0.00 0.00 56.01 50.94 13gs n LEU 78 Cb 0.52 -0.39 0.05 0.00 -2.33 0.00 0.00 43.42 41.27 13gs n LEU 78 CO 0.17 2.16 0.12 0.00 -1.33 0.00 0.00 177.39 178.52 13gs n TYR 79 N -0.61 1.59 0.00 -1.77 4.19 -1.21 -1.40 117.16 117.94 13gs n TYR 79 Ca 0.42 -1.92 0.00 0.00 3.31 0.00 0.00 57.90 59.71 13gs n TYR 79 Cb 0.84 -0.27 0.00 0.00 0.49 0.00 0.00 39.34 40.40 13gs n TYR 79 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 13gs n GLY 80 N -0.59 -1.40 0.09 2.98 0.00 -1.26 -3.85 105.19 101.15 13gs n GLY 80 Ca 0.24 -1.58 0.12 0.00 0.00 0.00 0.00 46.02 44.79 13gs n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 13gs n LYS 81 N -1.48 0.50 -3.76 1.61 2.85 -1.26 -4.85 118.16 111.77 13gs n LYS 81 Ca 0.00 0.08 -0.12 0.00 -1.05 0.00 0.00 58.31 57.22 13gs n LYS 81 Cb 0.00 -1.75 -0.01 0.00 -0.65 0.00 0.00 35.03 32.61 13gs n LYS 81 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 13gs n ASP 82 N -2.45 -1.57 -0.06 -5.58 5.68 -1.26 -5.04 116.55 106.27 13gs n ASP 82 Ca 0.01 -2.69 0.00 0.00 -0.50 0.00 0.00 54.79 51.60 13gs n ASP 82 Cb 0.51 2.78 0.29 0.00 -1.14 0.00 0.00 41.12 43.57 13gs n ASP 82 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 13gs h GLN 83 N 0.00 0.66 -0.47 0.11 4.20 -1.94 -0.70 115.11 116.98 13gs h GLN 83 Ca -0.28 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.31 13gs h GLN 83 Cb 1.13 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.78 13gs h GLN 83 CO 0.36 0.58 0.21 0.37 -0.67 0.00 0.00 178.83 179.68 13gs h GLN 84 N 0.65 0.68 -0.28 1.46 4.15 -1.98 -1.57 115.11 118.23 13gs h GLN 84 Ca 0.15 -0.11 -0.15 0.00 0.77 0.00 0.00 58.65 59.31 13gs h GLN 84 Cb 0.19 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 13gs h GLN 84 CO -0.01 0.59 -0.43 0.93 -1.93 0.00 0.00 178.83 177.98 13gs h GLU 85 N 0.61 0.70 -0.97 1.69 5.08 -1.82 -2.64 114.58 117.22 13gs h GLU 85 Ca 0.16 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 13gs h GLU 85 Cb 0.15 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 13gs h GLU 85 CO -0.02 1.00 0.65 0.00 -1.00 0.00 0.00 179.01 179.63 13gs h ALA 86 N 0.95 1.24 -0.52 3.43 0.00 -0.93 0.22 119.26 123.66 13gs h ALA 86 Ca 0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 13gs h ALA 86 Cb 0.98 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 13gs h ALA 86 CO 0.09 0.61 -0.05 0.00 0.00 0.00 0.00 179.25 179.90 13gs h ALA 87 N 1.36 0.94 -0.16 0.00 0.00 -1.15 -1.26 119.26 118.98 13gs h ALA 87 Ca 0.36 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 13gs h ALA 87 Cb -0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 13gs h ALA 87 CO -0.08 0.63 -0.55 -0.07 0.00 0.00 0.00 179.25 179.18 13gs h LEU 88 N 0.83 0.52 -0.73 0.00 3.38 -1.00 -1.22 115.31 117.10 13gs h LEU 88 Ca 0.15 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 13gs h LEU 88 Cb 0.56 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 13gs h LEU 88 CO 0.03 0.97 0.32 0.58 0.09 0.00 0.00 178.44 180.43 13gs h VAL 89 N 0.36 1.24 -0.44 1.22 2.07 -0.25 -1.64 116.25 118.83 13gs h VAL 89 Ca 0.01 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 13gs h VAL 89 Cb 1.07 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 13gs h VAL 89 CO 0.10 0.30 0.15 0.44 0.02 0.00 0.00 177.57 178.58 13gs h ASP 90 N 1.03 0.62 -0.72 0.57 3.32 -1.02 -1.62 116.42 118.60 13gs h ASP 90 Ca 0.25 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 13gs h ASP 90 Cb 0.16 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 13gs h ASP 90 CO -0.03 0.64 0.41 -0.03 -1.72 0.00 0.00 179.24 178.52 13gs h MET 91 N 0.56 1.00 -0.14 3.56 4.05 -0.89 -0.80 114.93 122.27 13gs h MET 91 Ca 0.14 -0.10 -0.05 0.00 -0.28 0.00 0.00 59.70 59.41 13gs h MET 91 Cb 0.23 -0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 30.82 13gs h MET 91 CO -0.01 0.72 -0.12 0.28 0.23 0.00 0.00 176.91 178.02 13gs h VAL 92 N 1.01 1.34 -0.88 -5.77 2.07 -1.12 -2.76 116.25 110.14 13gs h VAL 92 Ca 0.26 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.57 13gs h VAL 92 Cb 0.00 1.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 13gs h VAL 92 CO -0.04 0.36 0.57 -1.13 0.02 0.00 0.00 177.57 177.35 13gs h ASN 93 N -0.04 0.95 -0.44 0.57 -1.24 -0.97 -0.68 115.58 113.73 13gs h ASN 93 Ca 0.03 -0.01 -0.05 0.00 0.71 0.00 0.00 56.30 56.98 13gs h ASN 93 Cb 0.63 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.44 13gs h ASN 93 CO 0.03 0.66 0.13 0.44 -1.29 0.00 0.00 177.43 177.40 13gs h ASP 94 N 1.11 0.71 -0.44 1.15 3.32 -1.17 0.67 116.42 121.77 13gs h ASP 94 Ca 0.34 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 13gs h ASP 94 Cb -0.02 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 13gs h ASP 94 CO -0.11 0.70 -0.01 1.23 -1.72 0.00 0.00 179.24 179.33 13gs h GLY 95 N 0.93 0.85 0.99 2.75 0.00 -1.05 -0.99 103.07 106.55 13gs h GLY 95 Ca 0.17 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 13gs h GLY 95 CO -0.00 0.58 0.24 -2.08 0.00 0.00 0.00 176.54 175.28 13gs h VAL 96 N 0.63 1.12 -0.75 4.60 2.07 -0.53 -2.51 116.25 120.88 13gs h VAL 96 Ca 0.12 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 13gs h VAL 96 Cb 0.51 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 13gs h VAL 96 CO 0.02 0.12 0.43 -0.08 0.02 0.00 0.00 177.57 178.09 13gs h GLU 97 N 0.52 1.02 -0.40 1.57 4.57 -0.72 0.11 114.58 121.24 13gs h GLU 97 Ca 0.14 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 13gs h GLU 97 Cb -0.01 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.35 13gs h GLU 97 CO -0.03 0.73 0.19 -0.44 -1.18 0.00 0.00 179.01 178.28 13gs h ASP 98 N 1.04 0.53 0.20 1.04 3.32 -0.82 -1.16 116.42 120.57 13gs h ASP 98 Ca 0.27 -0.14 -0.15 0.00 0.02 0.00 0.00 57.03 57.03 13gs h ASP 98 Cb -0.01 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 13gs h ASP 98 CO -0.05 0.52 -0.56 0.25 -1.72 0.00 0.00 179.24 177.68 13gs h LEU 99 N 0.51 0.43 -0.94 1.55 5.85 -1.05 -2.97 115.31 118.70 13gs h LEU 99 Ca 0.14 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 13gs h LEU 99 Cb 0.13 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 13gs h LEU 99 CO -0.02 0.90 0.57 -0.09 -0.34 0.00 0.00 178.44 179.46 13gs h ARG 100 N 0.29 1.27 -0.70 1.25 2.43 -0.46 -1.02 114.38 117.45 13gs h ARG 100 Ca 0.00 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 13gs h ARG 100 Cb 1.07 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 30.32 13gs h ARG 100 CO 0.10 0.89 0.31 0.00 -1.51 0.00 0.00 179.97 179.75 13gs h LYS 102 N 1.00 0.99 -0.34 0.00 1.57 -1.27 -1.39 116.57 117.14 13gs h LYS 102 Ca 0.24 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 13gs h LYS 102 Cb 0.15 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 13gs h LYS 102 CO -0.03 1.08 0.17 -0.92 -0.57 0.00 0.00 179.45 179.18 13gs h TYR 103 N 0.84 0.48 -0.66 -1.35 3.20 -0.64 -1.11 116.97 117.74 13gs h TYR 103 Ca 0.12 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 13gs h TYR 103 Cb 0.76 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 13gs h TYR 103 CO 0.05 0.41 0.19 0.82 -1.64 0.00 0.00 178.16 177.99 13gs h ILE 104 N 0.41 1.25 -0.38 1.81 2.04 -0.93 -0.71 117.51 120.99 13gs h ILE 104 Ca 0.12 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 13gs h ILE 104 Cb 0.11 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 13gs h ILE 104 CO -0.02 0.33 0.16 -1.28 0.00 0.00 0.00 178.15 177.35 13gs h SER 105 N 0.97 0.52 0.68 1.72 0.87 -0.99 -1.08 113.55 116.24 13gs h SER 105 Ca 0.21 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 13gs h SER 105 Cb 0.30 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 13gs h SER 105 CO -0.01 0.54 -0.43 0.25 -0.53 0.00 0.00 176.83 176.65 13gs h LEU 106 N 0.48 -1.10 -0.69 2.23 5.85 -0.82 0.49 115.31 121.74 13gs h LEU 106 Ca 0.13 0.06 0.13 0.00 0.84 0.00 0.00 57.88 59.04 13gs h LEU 106 Cb 0.17 0.32 -0.09 0.00 0.37 0.00 0.00 40.66 41.44 13gs h LEU 106 CO -0.01 -0.66 0.25 0.40 -0.34 0.00 0.00 178.44 178.07 13gs h ILE 107 N -1.05 0.67 0.00 4.05 1.08 -1.00 -0.35 117.51 120.90 13gs h ILE 107 Ca -0.09 -0.14 -0.23 0.00 -0.39 0.00 0.00 64.86 64.01 13gs h ILE 107 Cb 0.85 0.24 -0.04 0.00 -3.07 0.00 0.00 36.82 34.80 13gs h ILE 107 CO 0.08 0.07 -2.09 -1.22 -0.69 0.00 0.00 178.15 174.30 13gs n TYR 108 N -5.03 0.21 -0.09 1.37 4.01 -0.42 -4.43 117.16 112.78 13gs n TYR 108 Ca 0.12 0.07 -0.14 0.00 -0.16 0.00 0.00 57.90 57.80 13gs n TYR 108 Cb 0.37 -0.89 -0.07 0.00 -0.31 0.00 0.00 39.34 38.44 13gs n TYR 108 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 13gs n THR 109 N -2.66 1.48 -3.00 -0.72 -1.04 0.17 -4.86 114.28 103.66 13gs n THR 109 Ca -0.21 0.09 -0.16 0.00 -2.04 0.00 0.00 64.05 61.73 13gs n THR 109 Cb 0.94 -2.21 -0.01 0.00 -1.82 0.00 0.00 70.33 67.24 13gs n THR 109 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 13gs n ASN 110 N -4.52 -0.98 0.15 8.00 2.04 -0.89 -5.00 115.26 114.06 13gs n ASN 110 Ca -0.20 -3.07 -0.14 0.00 -0.44 0.00 0.00 54.58 50.73 13gs n ASN 110 Cb 0.48 0.46 -0.08 0.00 -2.53 0.00 0.00 39.78 38.11 13gs n ASN 110 CO 0.00 0.00 0.00 0.22 -0.44 0.00 0.00 177.26 177.04 13gs h TYR 111 N 3.70 -0.29 0.36 -2.53 3.20 -1.29 -1.75 116.97 118.36 13gs h TYR 111 Ca -0.01 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 13gs h TYR 111 Cb 0.97 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.34 13gs h TYR 111 CO 0.27 -0.18 -0.20 0.93 -1.64 0.00 0.00 178.16 177.34 13gs h GLU 112 N -0.33 -0.51 -0.07 1.82 3.07 -1.94 -2.67 114.58 113.95 13gs h GLU 112 Ca -0.03 0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 13gs h GLU 112 Cb 0.25 0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 13gs h GLU 112 CO 0.05 -0.34 -0.11 0.00 -1.40 0.00 0.00 179.01 177.21 13gs h ALA 113 N 0.09 0.11 -0.06 3.43 0.00 -1.98 -3.37 119.26 117.48 13gs h ALA 113 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.54 13gs h ALA 113 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 13gs h ALA 113 CO 0.06 -0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.69 13gs n GLY 114 N 0.37 0.27 0.32 0.00 0.00 -0.66 -4.41 105.19 101.09 13gs n GLY 114 Ca -0.08 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.47 13gs n GLY 114 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 13gs h LYS 115 N 2.76 0.77 -0.18 1.61 3.64 -1.63 -1.54 116.57 122.01 13gs h LYS 115 Ca 0.00 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 13gs h LYS 115 Cb 0.59 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 13gs h LYS 115 CO 0.00 0.56 -0.09 -0.44 -2.27 0.00 0.00 179.45 177.21 13gs h ASP 116 N 0.79 0.38 -0.45 4.20 3.32 -1.86 -1.79 116.42 121.02 13gs h ASP 116 Ca 0.20 -0.42 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 13gs h ASP 116 Cb -0.00 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 13gs h ASP 116 CO -0.04 0.71 0.17 0.44 -1.72 0.00 0.00 179.24 178.80 13gs h ASP 117 N 0.05 0.63 -0.18 6.45 3.32 -1.82 -2.37 116.42 122.51 13gs h ASP 117 Ca 0.04 -0.18 0.05 0.00 0.02 0.00 0.00 57.03 56.95 13gs h ASP 117 Cb 0.57 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.91 13gs h ASP 117 CO 0.03 0.64 -0.12 0.22 -1.72 0.00 0.00 179.24 178.28 13gs h TYR 118 N 0.58 -0.30 0.00 4.55 5.03 -1.25 -1.24 116.97 124.35 13gs h TYR 118 Ca 0.15 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.44 13gs h TYR 118 Cb 0.22 0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.65 13gs h TYR 118 CO 0.01 -0.18 -0.17 0.28 -1.32 0.00 0.00 178.16 176.77 13gs h VAL 119 N -0.12 0.77 -0.12 1.81 2.07 -1.21 -1.60 116.25 117.85 13gs h VAL 119 Ca 0.11 -0.67 -0.21 0.00 0.82 0.00 0.00 66.70 66.74 13gs h VAL 119 Cb 0.28 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 13gs h VAL 119 CO -0.25 0.17 -0.76 0.11 0.02 0.00 0.00 177.57 176.85 13gs h LYS 120 N 0.00 0.62 0.00 1.57 1.57 -0.81 -3.19 116.57 116.33 13gs h LYS 120 Ca -0.00 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 13gs h LYS 120 Cb 0.39 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.81 13gs h LYS 120 CO 0.02 1.13 -0.10 0.00 -0.57 0.00 0.00 179.45 179.94 13gs n ALA 121 N -2.56 2.39 -0.13 3.86 0.00 -0.54 -4.31 120.51 119.21 13gs n ALA 121 Ca -0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 53.44 53.27 13gs n ALA 121 Cb 0.73 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.78 13gs n ALA 121 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 13gs h LEU 122 N 0.00 -0.61 -0.91 0.00 6.46 -1.29 -2.11 115.31 116.85 13gs h LEU 122 Ca 0.00 0.15 0.17 0.00 -0.12 0.00 0.00 57.88 58.09 13gs h LEU 122 Cb 0.72 0.35 -0.10 0.00 -0.73 0.00 0.00 40.66 40.90 13gs h LEU 122 CO 0.00 -0.21 0.48 -0.65 -0.62 0.00 0.00 178.44 177.44 13gs h PRO 123 N -0.08 0.61 -0.04 5.25 0.11 -1.79 0.22 132.00 136.28 13gs h PRO 123 Ca 0.21 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 13gs h PRO 123 Cb 0.41 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 13gs h PRO 123 CO -0.49 0.40 -0.16 0.78 -0.21 0.00 0.00 178.00 178.32 13gs h GLY 124 N 0.63 0.06 1.95 -0.55 0.00 -1.67 -1.62 103.07 101.86 13gs h GLY 124 Ca 0.52 -0.03 -0.19 0.00 0.00 0.00 0.00 47.33 47.63 13gs h GLY 124 CO -0.40 0.03 -0.91 1.46 0.00 0.00 0.00 176.54 176.72 13gs h GLN 125 N 0.05 0.00 0.00 4.80 1.08 -0.42 -3.33 115.11 117.29 13gs h GLN 125 Ca 0.01 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.11 13gs h GLN 125 Cb 0.31 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 13gs h GLN 125 CO 0.02 0.85 -0.99 -0.07 -0.95 0.00 0.00 178.83 177.69 13gs h LEU 126 N 0.00 0.00 -0.68 1.46 3.38 -0.78 -3.39 115.31 115.30 13gs h LEU 126 Ca -0.02 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.10 13gs h LEU 126 Cb 1.68 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.32 13gs h LEU 126 CO 0.11 0.36 0.04 0.50 0.09 0.00 0.00 178.44 179.55 13gs h LYS 127 N 0.00 0.14 -1.00 1.13 3.64 -1.41 -2.15 116.57 116.92 13gs h LYS 127 Ca -0.07 -0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.46 13gs h LYS 127 Cb 1.34 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 33.04 13gs h LYS 127 CO 0.03 0.09 0.62 -1.35 -2.27 0.00 0.00 179.45 176.58 13gs h PRO 128 N 0.15 0.83 -0.11 1.90 0.11 -1.79 -0.13 132.00 132.97 13gs h PRO 128 Ca 0.37 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.28 13gs h PRO 128 Cb 0.61 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 13gs h PRO 128 CO -0.56 0.55 -0.58 0.74 -0.21 0.00 0.00 178.00 177.94 13gs h PHE 129 N 0.86 0.43 -0.60 0.65 0.04 -1.67 -0.13 116.94 116.52 13gs h PHE 129 Ca 0.53 -0.16 -0.08 0.00 2.80 0.00 0.00 57.97 61.07 13gs h PHE 129 Cb 0.72 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.77 13gs h PHE 129 CO -0.00 0.83 0.06 1.49 -0.60 0.00 0.00 178.31 180.09 13gs h GLU 130 N 0.25 1.03 -0.36 1.51 4.57 -1.13 -1.84 114.58 118.62 13gs h GLU 130 Ca -0.00 -0.30 -0.06 0.00 -1.18 0.00 0.00 59.36 57.82 13gs h GLU 130 Cb 1.09 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.56 13gs h GLU 130 CO 0.10 0.98 -0.02 1.15 -1.18 0.00 0.00 179.01 180.04 13gs h THR 131 N 0.93 1.26 -0.45 0.32 2.02 -0.80 -1.08 112.91 115.12 13gs h THR 131 Ca 0.18 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.36 13gs h THR 131 Cb 0.48 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 13gs h THR 131 CO 0.02 0.34 0.26 -0.07 0.37 0.00 0.00 175.52 176.44 13gs h LEU 132 N 0.45 0.43 -0.33 2.58 3.38 -0.87 -2.23 115.31 118.73 13gs h LEU 132 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 13gs h LEU 132 Cb 0.49 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 13gs h LEU 132 CO 0.02 0.31 0.22 0.25 0.09 0.00 0.00 178.44 179.33 13gs h LEU 133 N 0.53 0.38 -2.19 1.67 5.85 -1.24 -2.36 115.31 117.95 13gs h LEU 133 Ca 0.18 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 13gs h LEU 133 Cb 0.01 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 13gs h LEU 133 CO -0.08 0.28 -0.03 0.77 -0.34 0.00 0.00 178.44 179.04 13gs h SER 134 N 0.45 0.00 0.62 1.25 4.64 -0.79 0.14 113.55 119.85 13gs h SER 134 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 13gs h SER 134 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 13gs h SER 134 CO -0.03 0.03 -0.19 0.00 -0.87 0.00 0.00 176.83 175.78 13gs n GLN 135 N -4.08 0.25 -3.70 4.77 6.02 -0.87 -3.65 117.38 116.11 13gs n GLN 135 Ca -0.03 -0.09 -0.38 0.00 -0.01 0.00 0.00 57.00 56.50 13gs n GLN 135 Cb 0.12 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.77 13gs n GLN 135 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 13gs s ASN 136 N -2.81 5.40 -1.56 1.08 2.47 -0.52 -4.71 114.94 114.29 13gs s ASN 136 Ca 0.18 -2.05 -0.17 0.00 0.42 0.00 0.00 52.86 51.24 13gs s ASN 136 Cb 0.19 -1.89 0.15 0.00 -1.45 0.00 0.00 41.25 38.25 13gs s ASN 136 CO 0.56 -0.58 0.65 0.00 -3.72 0.00 0.00 177.10 174.02 13gs n GLN 137 N 4.61 -2.73 -1.83 0.43 6.02 -1.26 -0.79 117.38 121.83 13gs n GLN 137 Ca -0.03 0.33 -0.15 0.00 -0.01 0.00 0.00 57.00 57.14 13gs n GLN 137 Cb 0.41 -5.01 -0.04 0.00 1.02 0.00 0.00 30.24 26.62 13gs n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 13gs n GLY 138 N -1.23 0.67 2.24 1.08 0.00 -1.24 -2.88 105.19 103.84 13gs n GLY 138 Ca 0.07 -0.31 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 13gs n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 13gs n GLY 139 N -1.11 0.86 0.05 -0.02 0.00 0.39 -4.79 105.19 100.58 13gs n GLY 139 Ca -0.16 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.39 13gs n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 13gs n LYS 140 N -2.59 0.24 0.00 1.61 4.76 -1.14 -4.80 118.16 116.23 13gs n LYS 140 Ca -0.06 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 13gs n LYS 140 Cb 0.24 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 13gs n LYS 140 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 13gs n THR 141 N -2.00 0.00 -3.73 -0.18 -2.24 -1.26 -5.12 114.28 99.75 13gs n THR 141 Ca 0.04 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.59 13gs n THR 141 Cb 0.42 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.66 13gs n THR 141 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 13gs n PHE 142 N 0.00 -0.92 0.08 4.78 3.72 -1.25 -5.01 117.46 118.85 13gs n PHE 142 Ca 0.00 -2.07 -0.01 0.00 -0.05 0.00 0.00 57.45 55.32 13gs n PHE 142 Cb 0.00 -0.42 0.26 0.00 -0.94 0.00 0.00 39.48 38.39 13gs n PHE 142 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 13gs h ILE 143 N 0.57 1.26 -3.39 4.37 6.09 -1.97 -3.42 117.51 121.02 13gs h ILE 143 Ca -0.30 -1.23 -0.37 0.00 -1.37 0.00 0.00 64.86 61.58 13gs h ILE 143 Cb 1.14 1.44 -0.36 0.00 0.47 0.00 0.00 36.82 39.51 13gs h ILE 143 CO 0.47 0.38 -0.75 -0.69 -3.07 0.00 0.00 178.15 174.49 13gs s VAL 144 N -4.42 0.13 0.00 2.19 1.01 -1.26 -4.68 120.40 113.37 13gs s VAL 144 Ca -0.05 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.13 13gs s VAL 144 Cb 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.23 13gs s VAL 144 CO 0.77 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.66 13gs n GLY 145 N 4.72 -0.51 0.66 4.51 0.00 -1.26 -4.34 105.19 108.96 13gs n GLY 145 Ca -0.15 -1.10 0.06 0.00 0.00 0.00 0.00 46.02 44.83 13gs n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 13gs n ASP 146 N -1.37 3.15 -4.24 1.61 5.68 -1.26 -3.86 116.55 116.26 13gs n ASP 146 Ca 0.00 -2.35 -0.21 0.00 -0.50 0.00 0.00 54.79 51.73 13gs n ASP 146 Cb 0.00 -0.32 -0.12 0.00 -1.14 0.00 0.00 41.12 39.54 13gs n ASP 146 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 13gs s GLN 147 N -1.63 0.99 0.45 0.11 -2.07 -1.26 -4.86 119.66 111.38 13gs s GLN 147 Ca 0.28 -1.10 -0.23 0.00 -1.82 0.00 0.00 55.36 52.48 13gs s GLN 147 Cb 0.19 -1.09 -0.08 0.00 -1.09 0.00 0.00 33.01 30.94 13gs s GLN 147 CO 0.12 0.24 1.15 -1.50 -1.32 0.00 0.00 175.29 173.99 13gs s ILE 148 N -1.39 3.17 0.34 3.63 2.07 -1.26 -4.79 121.20 122.98 13gs s ILE 148 Ca 0.04 0.90 0.03 0.00 -1.41 0.00 0.00 60.65 60.21 13gs s ILE 148 Cb -0.09 -3.46 -0.05 0.00 0.13 0.00 0.00 42.46 38.99 13gs s ILE 148 CO 0.03 0.00 0.09 -0.94 -1.91 0.00 0.00 174.94 172.21 13gs s SER 149 N -1.35 2.36 0.48 4.50 1.04 -1.26 -4.64 113.70 114.82 13gs s SER 149 Ca 0.62 -1.48 0.23 0.00 0.48 0.00 0.00 55.95 55.80 13gs s SER 149 Cb -0.28 0.15 1.21 0.00 0.10 0.00 0.00 66.02 67.19 13gs s SER 149 CO 0.34 -0.73 1.99 2.19 0.98 0.00 0.00 173.24 178.01 13gs h PHE 150 N 2.04 0.00 0.00 5.02 -5.15 -1.58 -2.16 116.94 115.11 13gs h PHE 150 Ca -0.39 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.33 13gs h PHE 150 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.42 13gs h PHE 150 CO 0.87 0.18 -0.27 0.00 -2.00 0.00 0.00 178.31 177.09 13gs h ALA 151 N 1.82 1.43 -0.31 12.09 0.00 -1.86 -2.61 119.26 129.81 13gs h ALA 151 Ca -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 13gs h ALA 151 Cb 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 13gs h ALA 151 CO 0.02 0.34 0.09 -0.44 0.00 0.00 0.00 179.25 179.27 13gs h ASP 152 N 0.00 0.45 -0.48 0.00 3.32 -1.79 0.41 116.42 118.32 13gs h ASP 152 Ca -0.00 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 56.76 13gs h ASP 152 Cb 0.52 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 13gs h ASP 152 CO 0.04 0.54 0.02 1.88 -1.72 0.00 0.00 179.24 179.99 13gs h TYR 153 N 0.34 0.96 -0.33 4.55 0.05 -1.57 0.11 116.97 121.07 13gs h TYR 153 Ca 0.10 -0.14 -0.10 0.00 0.05 0.00 0.00 58.73 58.64 13gs h TYR 153 Cb 0.25 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 13gs h TYR 153 CO 0.01 0.86 -0.20 -0.97 -1.05 0.00 0.00 178.16 176.81 13gs h ASN 154 N 0.84 0.74 -0.52 3.88 -1.24 -1.29 -1.94 115.58 116.05 13gs h ASN 154 Ca 0.16 -0.42 -0.09 0.00 0.71 0.00 0.00 56.30 56.66 13gs h ASN 154 Cb 0.47 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.30 13gs h ASN 154 CO 0.02 1.00 -0.02 0.25 -1.29 0.00 0.00 177.43 177.39 13gs h LEU 155 N 0.48 0.91 -0.35 0.34 5.85 -0.74 -1.99 115.31 119.81 13gs h LEU 155 Ca 0.07 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.50 13gs h LEU 155 Cb 0.74 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 13gs h LEU 155 CO 0.06 1.01 0.17 0.25 -0.34 0.00 0.00 178.44 179.58 13gs h LEU 156 N 0.79 0.24 -0.43 2.25 5.85 -0.71 -0.84 115.31 122.46 13gs h LEU 156 Ca 0.14 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.90 13gs h LEU 156 Cb 0.55 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 13gs h LEU 156 CO 0.03 0.18 0.26 -0.78 -0.34 0.00 0.00 178.44 177.79 13gs h ASP 157 N 0.35 0.44 -0.92 1.25 3.58 -1.18 -0.65 116.42 119.28 13gs h ASP 157 Ca 0.15 -0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.62 13gs h ASP 157 Cb 0.06 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 40.97 13gs h ASP 157 CO -0.11 0.31 0.60 0.25 -2.88 0.00 0.00 179.24 177.42 13gs h LEU 158 N 0.53 1.01 -0.41 2.28 5.85 -0.86 -1.32 115.31 122.41 13gs h LEU 158 Ca 0.17 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.75 13gs h LEU 158 Cb -0.01 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 13gs h LEU 158 CO -0.06 0.71 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.43 13gs h LEU 159 N 1.19 0.92 -0.77 2.25 3.38 -0.78 -2.54 115.31 118.96 13gs h LEU 159 Ca 0.36 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 13gs h LEU 159 Cb -0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 13gs h LEU 159 CO -0.10 1.14 0.17 -0.07 0.09 0.00 0.00 178.44 179.67 13gs h LEU 160 N 0.70 1.04 -0.72 1.67 3.38 -0.73 -1.98 115.31 118.67 13gs h LEU 160 Ca 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 13gs h LEU 160 Cb 0.82 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 13gs h LEU 160 CO 0.07 0.99 -0.05 0.16 0.09 0.00 0.00 178.44 179.70 13gs h ILE 161 N 1.04 0.11 0.00 1.22 3.07 -1.22 -2.94 117.51 118.80 13gs h ILE 161 Ca 0.22 -0.89 -0.17 0.00 1.55 0.00 0.00 64.86 65.58 13gs h ILE 161 Cb 0.36 1.80 -0.02 0.00 -0.27 0.00 0.00 36.82 38.68 13gs h ILE 161 CO 0.00 0.05 -0.82 0.45 -1.05 0.00 0.00 178.15 176.79 13gs h HIS 162 N 0.00 0.00 0.00 0.16 3.86 -1.07 -2.31 115.15 115.78 13gs h HIS 162 Ca -0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 13gs h HIS 162 Cb 0.80 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.26 13gs h HIS 162 CO 0.00 0.77 -0.28 0.93 0.86 0.00 0.00 177.93 180.20 13gs h GLU 163 N 0.00 0.00 0.13 2.45 5.08 -1.19 0.36 114.58 121.41 13gs h GLU 163 Ca -0.02 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.04 13gs h GLU 163 Cb 1.60 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.88 13gs h GLU 163 CO 0.10 0.28 -1.27 0.28 -1.00 0.00 0.00 179.01 177.40 13gs h VAL 164 N 0.00 1.28 -0.07 3.13 2.07 -1.41 -2.57 116.25 118.69 13gs h VAL 164 Ca -0.00 -2.48 -0.02 0.00 0.82 0.00 0.00 66.70 65.01 13gs h VAL 164 Cb 0.69 2.72 -0.00 0.00 -1.52 0.00 0.00 31.29 33.18 13gs h VAL 164 CO 0.04 0.76 -0.04 0.25 0.02 0.00 0.00 177.57 178.59 13gs h LEU 165 N 0.27 0.15 -6.73 2.57 5.85 -1.10 -3.39 115.31 112.93 13gs h LEU 165 Ca -0.19 -0.44 -0.60 0.00 0.84 0.00 0.00 57.88 57.48 13gs h LEU 165 Cb 1.94 -0.04 -0.40 0.00 0.37 0.00 0.00 40.66 42.53 13gs h LEU 165 CO 0.24 0.56 -0.79 0.00 -0.34 0.00 0.00 178.44 178.11 13gs s ALA 166 N -4.45 2.30 0.14 1.25 0.00 0.12 -5.10 121.76 116.03 13gs s ALA 166 Ca -0.15 -2.90 -0.35 0.00 0.00 0.00 0.00 51.96 48.56 13gs s ALA 166 Cb 0.03 -1.84 -0.16 0.00 0.00 0.00 0.00 23.12 21.16 13gs s ALA 166 CO 0.70 -2.04 1.33 -2.30 0.00 0.00 0.00 175.76 173.45 13gs n PRO 167 N 2.76 1.38 -0.74 0.00 -0.02 -0.97 -1.73 135.00 135.68 13gs n PRO 167 Ca 0.22 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 13gs n PRO 167 Cb 0.41 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 13gs n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 13gs n GLY 168 N 2.47 0.81 0.29 -1.23 0.00 -1.26 -4.93 105.19 101.34 13gs n GLY 168 Ca 0.17 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.34 13gs n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 13gs n LEU 170 N -3.61 1.07 -0.15 0.00 4.32 -1.26 -4.23 117.00 113.14 13gs n LEU 170 Ca -0.02 -0.29 0.05 0.00 -0.02 0.00 0.00 56.01 55.73 13gs n LEU 170 Cb 0.14 -0.10 0.35 0.00 -1.62 0.00 0.00 43.42 42.19 13gs n LEU 170 CO 0.27 0.19 1.21 0.44 -1.22 0.00 0.00 177.39 178.28 13gs h ASP 171 N 1.39 0.65 0.54 -1.43 3.32 -1.75 -1.00 116.42 118.13 13gs h ASP 171 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 13gs h ASP 171 Cb 0.49 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.89 13gs h ASP 171 CO 0.00 0.44 0.00 0.00 -1.72 0.00 0.00 179.24 177.96 13gs n ALA 172 N -2.45 2.30 -3.90 3.45 0.00 -1.26 -4.47 120.51 114.18 13gs n ALA 172 Ca 0.09 -0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 13gs n ALA 172 Cb 0.17 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.06 13gs n ALA 172 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 13gs s PHE 173 N -2.62 3.35 0.27 0.00 0.08 -0.38 -4.98 117.98 113.70 13gs s PHE 173 Ca 0.23 -3.19 0.01 0.00 0.12 0.00 0.00 56.93 54.10 13gs s PHE 173 Cb 0.18 -2.84 0.56 0.00 -0.57 0.00 0.00 43.02 40.35 13gs s PHE 173 CO 0.41 -0.69 1.80 -1.00 -0.10 0.00 0.00 175.22 175.64 13gs h PRO 174 N 6.17 0.78 -0.19 0.24 0.13 -1.78 -0.52 132.00 136.83 13gs h PRO 174 Ca 0.01 -0.05 -0.16 0.00 -0.87 0.00 0.00 66.00 64.93 13gs h PRO 174 Cb 0.85 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.81 13gs h PRO 174 CO 0.71 0.51 -0.50 -0.07 -0.23 0.00 0.00 178.00 178.42 13gs h LEU 175 N 0.80 0.77 -0.54 1.56 4.07 -1.93 -2.26 115.31 117.79 13gs h LEU 175 Ca 0.49 -0.58 -0.10 0.00 0.08 0.00 0.00 57.88 57.77 13gs h LEU 175 Cb 0.61 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.11 13gs h LEU 175 CO -0.32 1.21 -0.07 -0.07 -1.08 0.00 0.00 178.44 178.12 13gs h LEU 176 N 0.37 0.99 -0.39 1.67 3.38 -1.85 -0.76 115.31 118.72 13gs h LEU 176 Ca -0.01 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.64 13gs h LEU 176 Cb 1.12 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 13gs h LEU 176 CO 0.11 1.09 0.23 0.28 0.09 0.00 0.00 178.44 180.24 13gs h SER 177 N 0.87 0.38 -0.26 -0.43 0.02 -1.10 -0.83 113.55 112.21 13gs h SER 177 Ca 0.14 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 13gs h SER 177 Cb 0.62 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 13gs h SER 177 CO 0.04 0.28 -0.19 0.00 -1.14 0.00 0.00 176.83 175.82 13gs h ALA 178 N 1.16 0.96 -0.37 3.77 0.00 -1.29 -2.66 119.26 120.84 13gs h ALA 178 Ca 0.15 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 13gs h ALA 178 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 13gs h ALA 178 CO -0.06 0.61 0.21 -0.92 0.00 0.00 0.00 179.25 179.08 13gs h TYR 179 N 0.63 0.50 -0.37 0.00 3.20 -0.76 -0.71 116.97 119.47 13gs h TYR 179 Ca 0.10 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 13gs h TYR 179 Cb 0.67 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 13gs h TYR 179 CO 0.03 0.39 0.16 0.28 -1.64 0.00 0.00 178.16 177.38 13gs h VAL 180 N 0.47 1.18 -0.72 1.81 2.07 -1.06 -1.15 116.25 118.86 13gs h VAL 180 Ca 0.13 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 13gs h VAL 180 Cb 0.05 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 13gs h VAL 180 CO -0.02 0.20 0.23 1.23 0.02 0.00 0.00 177.57 179.22 13gs h GLY 181 N 0.46 1.19 0.79 2.17 0.00 -1.35 -0.50 103.07 105.83 13gs h GLY 181 Ca 0.13 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 13gs h GLY 181 CO -0.01 0.65 -0.03 -0.09 0.00 0.00 0.00 176.54 177.05 13gs h ARG 182 N 1.06 0.34 -0.27 4.80 2.43 -0.93 -2.82 114.38 118.99 13gs h ARG 182 Ca 0.23 -0.12 -0.15 0.00 -0.81 0.00 0.00 59.98 59.13 13gs h ARG 182 Cb 0.29 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 13gs h ARG 182 CO -0.01 0.59 -0.44 -0.07 -1.51 0.00 0.00 179.97 178.53 13gs h LEU 183 N 0.06 0.73 -1.45 3.80 3.38 -1.15 -2.88 115.31 117.80 13gs h LEU 183 Ca 0.05 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.67 13gs h LEU 183 Cb 0.46 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.00 13gs h LEU 183 CO 0.02 1.07 0.00 0.28 0.09 0.00 0.00 178.44 179.89 13gs h SER 184 N 0.55 0.00 0.18 -0.43 0.02 -1.09 -2.67 113.55 110.11 13gs h SER 184 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 13gs h SER 184 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 13gs h SER 184 CO 0.09 0.00 -0.46 0.00 -1.14 0.00 0.00 176.83 175.32 13gs n ALA 185 N -1.86 3.51 -1.72 3.77 0.00 -1.07 -3.93 120.51 119.21 13gs n ALA 185 Ca -0.00 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.53 13gs n ALA 185 Cb 0.13 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 13gs n ALA 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 13gs n ARG 186 N -0.73 2.79 -0.22 0.00 1.74 -1.01 -4.77 116.66 114.46 13gs n ARG 186 Ca 0.09 1.00 -0.06 0.00 -0.77 0.00 0.00 57.85 58.12 13gs n ARG 186 Cb 0.38 -2.84 -0.05 0.00 -1.02 0.00 0.00 32.46 28.92 13gs n ARG 186 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 13gs n PRO 187 N 3.69 -0.23 -0.16 5.56 -0.02 -1.26 -0.08 135.00 142.51 13gs n PRO 187 Ca 0.15 1.14 -0.08 0.00 -2.02 0.00 0.00 63.50 62.68 13gs n PRO 187 Cb 0.35 -1.68 0.07 0.00 -0.02 0.00 0.00 33.50 32.22 13gs n PRO 187 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 13gs h LYS 188 N 0.00 0.94 -0.32 -0.52 1.57 -1.90 -2.12 116.57 114.23 13gs h LYS 188 Ca 0.08 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 13gs h LYS 188 Cb 0.21 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 13gs h LYS 188 CO -0.49 0.98 0.06 1.25 -0.57 0.00 0.00 179.45 180.68 13gs h LEU 189 N 0.85 0.50 -0.68 2.94 6.46 -1.68 -1.11 115.31 122.60 13gs h LEU 189 Ca 0.14 -0.25 0.03 0.00 -0.12 0.00 0.00 57.88 57.68 13gs h LEU 189 Cb 0.60 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.36 13gs h LEU 189 CO 0.04 0.62 0.42 0.50 -0.62 0.00 0.00 178.44 179.40 13gs h LYS 190 N 0.35 0.81 -0.40 1.25 3.64 -0.43 0.15 116.57 121.95 13gs h LYS 190 Ca 0.10 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 13gs h LYS 190 Cb 0.33 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 13gs h LYS 190 CO 0.00 0.54 0.14 0.00 -2.27 0.00 0.00 179.45 177.86 13gs h ALA 191 N 1.29 0.53 -0.28 5.00 0.00 -1.24 -2.77 119.26 121.78 13gs h ALA 191 Ca 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 13gs h ALA 191 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 13gs h ALA 191 CO -0.10 0.16 0.08 0.35 0.00 0.00 0.00 179.25 179.74 13gs h PHE 192 N 0.51 0.47 0.00 0.00 3.57 -0.66 -2.65 116.94 118.18 13gs h PHE 192 Ca 0.13 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 13gs h PHE 192 Cb 0.24 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 13gs h PHE 192 CO 0.01 0.50 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.50 13gs h LEU 193 N 0.30 0.00 -0.98 0.59 3.38 -0.68 -1.67 115.31 116.24 13gs h LEU 193 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 13gs h LEU 193 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 13gs h LEU 193 CO -0.00 0.01 -0.33 0.00 0.09 0.00 0.00 178.44 178.21 13gs n ALA 194 N -2.11 3.23 -1.86 1.53 0.00 -1.05 -4.44 120.51 115.80 13gs n ALA 194 Ca -0.02 -0.57 -0.32 0.00 0.00 0.00 0.00 53.44 52.53 13gs n ALA 194 Cb 0.16 -0.91 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 13gs n ALA 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 13gs s SER 195 N -2.39 6.73 0.33 0.00 1.04 -0.63 -4.84 113.70 113.94 13gs s SER 195 Ca 0.23 1.58 0.06 0.00 0.48 0.00 0.00 55.95 58.29 13gs s SER 195 Cb 0.19 -2.50 0.71 0.00 0.10 0.00 0.00 66.02 64.51 13gs s SER 195 CO 0.51 -0.49 1.86 -0.65 0.98 0.00 0.00 173.24 175.45 13gs h PRO 196 N 1.32 0.79 -0.98 4.02 0.11 -1.93 0.12 132.00 135.45 13gs h PRO 196 Ca -0.48 -0.05 0.17 0.00 0.11 0.00 0.00 66.00 65.76 13gs h PRO 196 Cb 1.18 -0.18 -0.09 0.00 0.11 0.00 0.00 31.00 32.02 13gs h PRO 196 CO 0.62 0.53 0.61 1.49 -0.21 0.00 0.00 178.00 181.04 13gs h GLU 197 N 0.82 0.75 0.00 1.05 4.81 -1.93 -0.62 114.58 119.46 13gs h GLU 197 Ca 0.46 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.59 13gs h GLU 197 Cb 0.59 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 13gs h GLU 197 CO -0.22 0.50 -0.86 0.98 -0.73 0.00 0.00 179.01 178.68 13gs n TYR 198 N -4.68 0.58 -0.36 0.92 9.36 -0.69 -4.49 117.16 117.81 13gs n TYR 198 Ca 0.21 0.25 0.05 0.00 3.32 0.00 0.00 57.90 61.74 13gs n TYR 198 Cb 0.52 -0.73 0.21 0.00 -0.63 0.00 0.00 39.34 38.72 13gs n TYR 198 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 13gs h VAL 199 N -1.00 0.97 -0.17 2.97 2.07 -0.83 -2.67 116.25 117.58 13gs h VAL 199 Ca -0.07 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.10 13gs h VAL 199 Cb 0.81 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 13gs h VAL 199 CO -0.04 0.19 0.00 0.59 0.02 0.00 0.00 177.57 178.32 13gs n ASN 200 N -4.60 1.10 -4.69 0.57 3.02 -0.24 -4.77 115.26 105.65 13gs n ASN 200 Ca 0.17 -2.03 -0.35 0.00 -0.03 0.00 0.00 54.58 52.34 13gs n ASN 200 Cb 0.30 -0.18 -0.09 0.00 -0.61 0.00 0.00 39.78 39.20 13gs n ASN 200 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 13gs s LEU 201 N -0.95 3.83 0.66 3.41 1.02 -1.01 -5.05 118.68 120.60 13gs s LEU 201 Ca 0.12 0.16 -0.13 0.00 0.02 0.00 0.00 54.13 54.30 13gs s LEU 201 Cb 0.07 -1.94 -0.00 0.00 0.02 0.00 0.00 46.19 44.34 13gs s LEU 201 CO 0.07 0.27 1.07 -2.16 0.02 0.00 0.00 176.35 175.63 13gs s PRO 202 N -0.24 2.98 0.04 1.29 0.04 -1.26 -4.74 135.00 133.12 13gs s PRO 202 Ca 0.08 1.13 -0.21 0.00 0.04 0.00 0.00 61.00 62.04 13gs s PRO 202 Cb -0.12 -1.99 -0.14 0.00 0.04 0.00 0.00 34.50 32.29 13gs s PRO 202 CO 0.02 -1.08 1.40 0.82 0.04 0.00 0.00 177.00 178.20 13gs h ILE 203 N -0.24 1.31 -2.05 0.56 2.04 -1.96 -1.28 117.51 115.90 13gs h ILE 203 Ca -0.45 -1.10 -0.59 0.00 1.00 0.00 0.00 64.86 63.72 13gs h ILE 203 Cb 1.22 1.73 -0.13 0.00 -0.74 0.00 0.00 36.82 38.90 13gs h ILE 203 CO 0.56 0.32 -0.66 0.20 0.00 0.00 0.00 178.15 178.57 13gs s ASN 204 N -5.95 3.52 0.16 1.72 0.01 -1.26 -0.93 114.94 112.20 13gs s ASN 204 Ca -0.14 -1.24 0.26 0.00 -0.71 0.00 0.00 52.86 51.02 13gs s ASN 204 Cb 0.05 -0.31 0.92 0.00 0.41 0.00 0.00 41.25 42.32 13gs s ASN 204 CO 0.73 -0.30 1.79 0.61 -1.51 0.00 0.00 177.10 178.42 13gs n GLY 205 N -0.79 -1.56 1.05 0.66 0.00 -1.26 -3.58 105.19 99.72 13gs n GLY 205 Ca -0.05 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.04 13gs n GLY 205 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 13gs n ASN 206 N -2.04 3.50 0.00 1.61 6.94 -1.26 -4.96 115.26 119.05 13gs n ASN 206 Ca 0.05 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.62 13gs n ASN 206 Cb 0.37 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 13gs n ASN 206 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 13gs n GLY 207 N 1.19 2.59 3.87 4.83 0.00 -1.23 -5.02 105.19 111.41 13gs n GLY 207 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 13gs n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 13gs s LYS 208 N -0.07 3.86 0.00 1.61 1.02 -1.26 -4.99 119.74 119.91 13gs s LYS 208 Ca 0.00 0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.47 13gs s LYS 208 Cb 0.00 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 13gs s LYS 208 CO 0.00 0.12 0.00 0.00 -0.92 0.00 0.00 175.35 174.55