#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 20gs s TYR 3 N 0.00 3.17 -0.15 0.54 2.02 -1.26 -2.35 117.35 119.33 20gs s TYR 3 Ca 0.00 0.18 -0.08 0.00 -0.37 0.00 0.00 57.07 56.80 20gs s TYR 3 Cb 0.00 -1.75 0.06 0.00 -0.40 0.00 0.00 41.96 39.86 20gs s TYR 3 CO 0.00 0.49 0.35 0.99 -1.57 0.00 0.00 175.55 175.81 20gs s THR 4 N -1.00 -0.06 -0.10 -0.71 2.01 -0.90 -0.99 115.64 113.89 20gs s THR 4 Ca 0.17 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.31 20gs s THR 4 Cb -0.11 -0.53 -0.01 0.00 0.01 0.00 0.00 72.50 71.86 20gs s THR 4 CO 0.06 0.05 -0.20 0.68 -0.69 0.00 0.00 174.62 174.53 20gs s VAL 5 N 1.42 2.47 -0.29 3.82 -7.23 -0.64 -0.84 120.40 119.11 20gs s VAL 5 Ca -0.09 -0.88 -0.03 0.00 -1.81 0.00 0.00 61.98 59.17 20gs s VAL 5 Cb -0.09 -1.98 0.03 0.00 0.56 0.00 0.00 36.38 34.90 20gs s VAL 5 CO -0.11 0.55 0.01 -0.69 -0.31 0.00 0.00 175.10 174.55 20gs s VAL 6 N 0.25 3.27 0.29 1.32 1.01 -0.19 -0.83 120.40 125.52 20gs s VAL 6 Ca -0.13 -1.10 -0.12 0.00 0.00 0.00 0.00 61.98 60.63 20gs s VAL 6 Cb -0.17 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.46 20gs s VAL 6 CO 0.07 0.02 0.56 -0.47 0.00 0.00 0.00 175.10 175.27 20gs s TYR 7 N 1.35 0.38 0.89 5.22 5.04 -1.01 -2.34 117.35 126.89 20gs s TYR 7 Ca -0.01 -0.78 -0.12 0.00 -2.44 0.00 0.00 57.07 53.72 20gs s TYR 7 Cb -0.18 0.31 0.12 0.00 0.35 0.00 0.00 41.96 42.56 20gs s TYR 7 CO -0.01 -1.14 1.10 -0.06 -1.34 0.00 0.00 175.55 174.10 20gs s PHE 8 N -3.56 2.43 -1.42 4.97 0.08 -1.26 -0.78 117.98 118.44 20gs s PHE 8 Ca 0.21 1.15 -0.09 0.00 0.12 0.00 0.00 56.93 58.32 20gs s PHE 8 Cb -0.02 -3.19 -0.07 0.00 -0.57 0.00 0.00 43.02 39.17 20gs s PHE 8 CO 0.11 -2.31 2.69 -0.35 -0.10 0.00 0.00 175.22 175.26 20gs n PRO 9 N -3.80 3.20 -4.14 0.24 -0.04 -1.25 -4.76 135.00 124.45 20gs n PRO 9 Ca 0.07 -2.01 -0.11 0.00 -0.04 0.00 0.00 63.50 61.40 20gs n PRO 9 Cb 0.56 -2.73 -0.08 0.00 -0.04 0.00 0.00 33.50 31.21 20gs n PRO 9 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 20gs s VAL 10 N 2.59 0.00 -0.12 0.52 -7.23 -1.26 -4.30 120.40 110.60 20gs s VAL 10 Ca 0.61 -1.80 -0.06 0.00 -1.81 0.00 0.00 61.98 58.91 20gs s VAL 10 Cb 0.16 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 20gs s VAL 10 CO -0.05 0.00 0.05 0.03 -0.31 0.00 0.00 175.10 174.82 20gs h ARG 11 N 2.47 0.00 0.00 4.82 3.08 -1.18 -3.46 114.38 120.11 20gs h ARG 11 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 20gs h ARG 11 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 20gs h ARG 11 CO 0.46 0.15 0.00 0.41 -1.07 0.00 0.00 179.97 179.92 20gs n GLY 12 N 1.71 1.76 0.00 0.04 0.00 -0.21 -0.26 105.19 108.23 20gs n GLY 12 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 20gs n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 20gs n ARG 13 N 9.75 0.77 -0.00 1.61 1.74 -1.26 -2.80 116.66 126.47 20gs n ARG 13 Ca 0.00 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 20gs n ARG 13 Cb 0.00 -1.01 -0.07 0.00 -1.02 0.00 0.00 32.46 30.35 20gs n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 20gs h ALA 15 N 1.15 0.04 0.27 0.00 0.00 -1.05 -1.43 119.26 118.25 20gs h ALA 15 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 20gs h ALA 15 Cb 0.39 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.63 20gs h ALA 15 CO 0.00 -0.58 -0.14 0.00 0.00 0.00 0.00 179.25 178.53 20gs h ALA 16 N 1.06 -0.38 0.00 0.00 0.00 -1.82 -1.31 119.26 116.81 20gs h ALA 16 Ca 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 20gs h ALA 16 Cb 0.41 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 20gs h ALA 16 CO -0.42 -0.71 -0.09 1.37 0.00 0.00 0.00 179.25 179.40 20gs h LEU 17 N -0.38 0.00 -0.29 0.00 8.10 -1.81 -0.51 115.31 120.43 20gs h LEU 17 Ca -0.04 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.76 20gs h LEU 17 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.52 20gs h LEU 17 CO 0.05 0.09 -0.69 0.03 -4.11 0.00 0.00 178.44 173.81 20gs h ARG 18 N 0.00 0.70 -0.49 0.17 3.08 -0.85 -2.06 114.38 114.93 20gs h ARG 18 Ca -0.00 -0.52 -0.07 0.00 0.07 0.00 0.00 59.98 59.46 20gs h ARG 18 Cb 0.18 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 20gs h ARG 18 CO 0.01 1.14 0.02 0.52 -1.07 0.00 0.00 179.97 180.59 20gs h MET 19 N 0.50 0.79 -0.07 0.04 2.86 -0.23 -0.98 114.93 117.85 20gs h MET 19 Ca -0.03 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 20gs h MET 19 Cb 1.29 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 20gs h MET 19 CO 0.14 0.79 0.03 1.25 1.06 0.00 0.00 176.91 180.18 20gs h LEU 20 N 0.75 0.09 -0.38 1.22 6.46 -0.92 -0.36 115.31 122.17 20gs h LEU 20 Ca 0.15 -0.14 -0.11 0.00 -0.12 0.00 0.00 57.88 57.66 20gs h LEU 20 Cb 0.43 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 20gs h LEU 20 CO 0.02 0.20 -0.20 -0.07 -0.62 0.00 0.00 178.44 177.77 20gs h LEU 21 N -0.04 0.83 0.23 2.25 3.38 -1.25 -0.95 115.31 119.76 20gs h LEU 21 Ca 0.02 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 20gs h LEU 21 Cb 0.14 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 20gs h LEU 21 CO -0.00 1.06 -0.17 0.00 0.09 0.00 0.00 178.44 179.41 20gs h ALA 22 N 0.80 -0.97 -0.88 1.53 0.00 -1.14 0.40 119.26 119.00 20gs h ALA 22 Ca 0.08 -0.08 0.23 0.00 0.00 0.00 0.00 54.91 55.14 20gs h ALA 22 Cb 0.75 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 20gs h ALA 22 CO 0.06 -0.96 0.60 0.22 0.00 0.00 0.00 179.25 179.17 20gs h ASP 23 N -0.39 0.21 0.82 0.00 3.58 -1.11 0.72 116.42 120.25 20gs h ASP 23 Ca -0.03 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.44 20gs h ASP 23 Cb 0.32 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.36 20gs h ASP 23 CO 0.01 0.08 -0.10 0.00 -2.88 0.00 0.00 179.24 176.35 20gs n GLN 24 N -4.40 0.09 -2.56 0.28 1.13 -0.36 -4.83 117.38 106.72 20gs n GLN 24 Ca 0.19 -0.02 -0.05 0.00 -1.94 0.00 0.00 57.00 55.18 20gs n GLN 24 Cb 0.81 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.68 20gs n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 20gs n GLY 25 N 1.46 0.37 3.64 1.08 0.00 0.25 -5.05 105.19 106.94 20gs n GLY 25 Ca 0.08 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 20gs n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 20gs s GLN 26 N -4.80 2.38 -0.05 1.61 -1.52 0.13 -5.02 119.66 112.39 20gs s GLN 26 Ca 0.07 -0.90 -0.11 0.00 -1.95 0.00 0.00 55.36 52.46 20gs s GLN 26 Cb -0.03 -2.44 -0.05 0.00 -0.22 0.00 0.00 33.01 30.27 20gs s GLN 26 CO 0.19 0.53 0.29 -1.12 -0.25 0.00 0.00 175.29 174.94 20gs s SER 27 N -2.20 6.63 0.07 5.90 0.01 -1.26 -4.54 113.70 118.32 20gs s SER 27 Ca 0.23 0.75 -0.16 0.00 1.31 0.00 0.00 55.95 58.09 20gs s SER 27 Cb -0.11 -2.17 0.03 0.00 0.21 0.00 0.00 66.02 63.97 20gs s SER 27 CO 0.16 0.36 0.37 -1.66 0.41 0.00 0.00 173.24 172.87 20gs s TRP 28 N -1.06 -0.18 0.01 2.43 -2.14 -1.26 -4.19 118.94 112.55 20gs s TRP 28 Ca 0.20 0.01 0.03 0.00 2.66 0.00 0.00 56.10 59.00 20gs s TRP 28 Cb -0.15 0.18 -0.03 0.00 -3.10 0.00 0.00 33.47 30.37 20gs s TRP 28 CO 0.09 -0.59 -0.06 0.21 -2.66 0.00 0.00 176.95 173.94 20gs s LYS 29 N -2.99 2.55 -0.13 3.25 2.47 -0.16 -4.97 119.74 119.76 20gs s LYS 29 Ca -0.02 -0.73 -0.04 0.00 -1.56 0.00 0.00 55.97 53.62 20gs s LYS 29 Cb 0.00 -2.51 -0.03 0.00 -1.46 0.00 0.00 37.83 33.83 20gs s LYS 29 CO -0.06 0.60 0.02 -1.21 0.16 0.00 0.00 175.35 174.85 20gs s GLU 30 N -1.52 3.41 -0.32 4.03 0.41 -1.26 -1.61 118.70 121.83 20gs s GLU 30 Ca 0.18 -0.39 0.03 0.00 -0.41 0.00 0.00 54.97 54.38 20gs s GLU 30 Cb -0.11 -2.95 0.09 0.00 -1.78 0.00 0.00 34.13 29.38 20gs s GLU 30 CO 0.09 0.51 0.04 -1.21 -0.49 0.00 0.00 175.26 174.19 20gs s GLU 31 N -0.33 1.43 0.22 1.61 2.02 -0.01 -4.95 118.70 118.70 20gs s GLU 31 Ca 0.07 -1.65 -0.30 0.00 0.02 0.00 0.00 54.97 53.12 20gs s GLU 31 Cb -0.12 -2.95 -0.09 0.00 0.10 0.00 0.00 34.13 31.07 20gs s GLU 31 CO 0.02 -0.89 1.21 0.08 0.02 0.00 0.00 175.26 175.70 20gs s VAL 32 N 1.06 3.38 -0.15 2.63 1.01 -1.26 -2.39 120.40 124.68 20gs s VAL 32 Ca 0.08 1.22 -0.02 0.00 0.00 0.00 0.00 61.98 63.26 20gs s VAL 32 Cb -0.19 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 20gs s VAL 32 CO -0.10 0.22 -0.09 -0.69 0.00 0.00 0.00 175.10 174.44 20gs s VAL 33 N -0.37 3.32 0.11 2.92 1.01 0.04 -4.90 120.40 122.53 20gs s VAL 33 Ca 0.51 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 20gs s VAL 33 Cb -0.34 -2.43 -0.06 0.00 0.00 0.00 0.00 36.38 33.55 20gs s VAL 33 CO 0.40 0.50 0.39 -0.89 0.00 0.00 0.00 175.10 175.50 20gs s THR 34 N 0.51 5.12 -0.10 3.92 2.01 -1.26 -3.96 115.64 121.87 20gs s THR 34 Ca -0.07 0.27 0.06 0.00 0.31 0.00 0.00 61.69 62.26 20gs s THR 34 Cb -0.15 -3.63 0.06 0.00 0.01 0.00 0.00 72.50 68.79 20gs s THR 34 CO 0.04 0.16 0.99 0.55 -0.69 0.00 0.00 174.62 175.67 20gs n VAL 35 N 0.51 0.62 -0.12 3.82 3.14 -1.26 -1.12 118.33 123.91 20gs n VAL 35 Ca -0.05 0.65 -0.26 0.00 -2.96 0.00 0.00 64.34 61.72 20gs n VAL 35 Cb 0.52 -1.65 -0.10 0.00 -1.06 0.00 0.00 33.84 31.55 20gs n VAL 35 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 20gs n GLU 36 N -1.69 0.58 -0.09 1.45 1.02 -1.26 -3.53 120.64 117.11 20gs n GLU 36 Ca -0.00 0.37 -0.10 0.00 -0.02 0.00 0.00 57.16 57.40 20gs n GLU 36 Cb 0.37 -1.58 -0.05 0.00 -0.02 0.00 0.00 31.44 30.17 20gs n GLU 36 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 20gs h THR 37 N -1.00 0.13 -0.05 2.62 2.02 -1.51 0.33 112.91 115.44 20gs h THR 37 Ca -0.54 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.64 20gs h THR 37 Cb 1.46 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 20gs h THR 37 CO -0.33 0.00 -0.04 -0.25 0.37 0.00 0.00 175.52 175.27 20gs h TRP 38 N -0.36 -0.14 0.00 3.16 -0.00 -1.62 0.52 115.95 117.50 20gs h TRP 38 Ca 0.12 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.02 20gs h TRP 38 Cb 0.59 0.07 0.00 0.00 -0.00 0.00 0.00 29.16 29.82 20gs h TRP 38 CO -0.58 -0.04 0.10 1.04 -0.00 0.00 0.00 178.44 178.97 20gs n GLN 39 N -3.00 0.00 0.24 2.65 6.02 -0.52 0.03 117.38 122.80 20gs n GLN 39 Ca -0.00 0.18 0.15 0.00 -0.01 0.00 0.00 57.00 57.32 20gs n GLN 39 Cb 0.02 -1.60 0.44 0.00 1.02 0.00 0.00 30.24 30.12 20gs n GLN 39 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 20gs h GLU 40 N 0.00 0.00 0.00 -1.09 4.81 0.39 -3.47 114.58 115.22 20gs h GLU 40 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 20gs h GLU 40 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 20gs h GLU 40 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 20gs n GLY 41 N 0.55 2.79 0.17 1.92 0.00 0.10 -4.91 105.19 105.80 20gs n GLY 41 Ca 0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 20gs n GLY 41 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 20gs h SER 42 N 0.00 -0.33 0.00 1.61 0.02 -1.80 -1.27 113.55 111.78 20gs h SER 42 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 20gs h SER 42 Cb 0.00 0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.66 20gs h SER 42 CO 0.00 -0.18 0.00 0.18 -1.14 0.00 0.00 176.83 175.69 20gs n LEU 43 N -5.24 0.00 -0.31 5.07 4.77 -1.26 -2.06 117.00 117.97 20gs n LEU 43 Ca -0.07 0.96 0.00 0.00 -0.03 0.00 0.00 56.01 56.87 20gs n LEU 43 Cb 0.17 -0.46 0.05 0.00 -2.33 0.00 0.00 43.42 40.84 20gs n LEU 43 CO 0.30 -0.46 0.48 1.17 -1.33 0.00 0.00 177.39 177.55 20gs n LYS 44 N -1.96 -0.17 -0.26 3.23 4.81 -1.24 0.17 118.16 122.75 20gs n LYS 44 Ca 0.00 1.24 0.23 0.00 -0.87 0.00 0.00 58.31 58.92 20gs n LYS 44 Cb 0.00 -1.85 0.57 0.00 0.02 0.00 0.00 35.03 33.77 20gs n LYS 44 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 20gs h ALA 45 N 1.19 2.41 0.00 3.14 0.00 -1.09 -0.21 119.26 124.70 20gs h ALA 45 Ca 0.30 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 20gs h ALA 45 Cb 0.50 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 20gs h ALA 45 CO -0.81 -0.72 -0.57 0.66 0.00 0.00 0.00 179.25 177.81 20gs h SER 46 N 0.29 0.00 -3.14 0.00 4.64 0.23 -3.45 113.55 112.12 20gs h SER 46 Ca 0.50 -0.03 -0.57 0.00 -0.47 0.00 0.00 61.79 61.22 20gs h SER 46 Cb 1.44 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.49 20gs h SER 46 CO -0.16 0.02 0.99 0.00 -0.87 0.00 0.00 176.83 176.81 20gs n LEU 48 N 7.85 -0.23 -1.02 0.00 7.94 -1.26 0.38 117.00 130.66 20gs n LEU 48 Ca 0.15 0.79 0.08 0.00 -1.11 0.00 0.00 56.01 55.92 20gs n LEU 48 Cb 0.47 -0.21 0.25 0.00 0.53 0.00 0.00 43.42 44.45 20gs n LEU 48 CO 0.64 -0.74 0.71 -1.22 -1.11 0.00 0.00 177.39 175.68 20gs n TYR 49 N -4.71 0.87 -2.64 1.96 4.01 -1.26 -4.94 117.16 110.45 20gs n TYR 49 Ca 0.06 -0.59 -0.16 0.00 -0.16 0.00 0.00 57.90 57.05 20gs n TYR 49 Cb 0.21 -0.12 0.02 0.00 -0.31 0.00 0.00 39.34 39.13 20gs n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 20gs n GLY 50 N 0.69 -0.22 3.18 2.72 0.00 1.23 -5.00 105.19 107.79 20gs n GLY 50 Ca 0.19 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 20gs n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 20gs s GLN 51 N -5.18 0.75 0.27 1.61 -0.21 -1.26 -4.87 119.66 110.77 20gs s GLN 51 Ca 0.15 -0.83 0.09 0.00 0.02 0.00 0.00 55.36 54.78 20gs s GLN 51 Cb -0.06 0.30 -0.04 0.00 1.00 0.00 0.00 33.01 34.21 20gs s GLN 51 CO 0.18 -0.22 0.08 -0.51 -2.12 0.00 0.00 175.29 172.70 20gs s LEU 52 N -2.51 3.42 0.74 2.90 1.43 -1.26 -4.66 118.68 118.74 20gs s LEU 52 Ca 0.00 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.46 20gs s LEU 52 Cb 0.02 -1.94 0.04 0.00 0.03 0.00 0.00 46.19 44.34 20gs s LEU 52 CO -0.08 -0.04 1.12 -2.16 0.23 0.00 0.00 176.35 175.42 20gs s PRO 53 N -3.75 2.30 0.02 1.29 0.04 -1.26 -4.91 135.00 128.73 20gs s PRO 53 Ca 0.33 1.39 0.06 0.00 0.04 0.00 0.00 61.00 62.82 20gs s PRO 53 Cb -0.07 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 20gs s PRO 53 CO 0.22 -1.64 -0.17 0.21 0.04 0.00 0.00 177.00 175.66 20gs s LYS 54 N -4.40 1.28 0.02 4.56 2.20 -0.99 -3.45 119.74 118.96 20gs s LYS 54 Ca 0.66 -0.75 0.01 0.00 -0.36 0.00 0.00 55.97 55.54 20gs s LYS 54 Cb -0.21 -1.29 -0.01 0.00 -1.51 0.00 0.00 37.83 34.80 20gs s LYS 54 CO 0.49 0.34 -0.05 0.12 -0.36 0.00 0.00 175.35 175.89 20gs s PHE 55 N -0.63 0.44 -0.06 4.03 2.19 0.15 -1.02 117.98 123.09 20gs s PHE 55 Ca 0.06 -0.33 0.03 0.00 0.33 0.00 0.00 56.93 57.02 20gs s PHE 55 Cb -0.08 -0.28 0.00 0.00 -1.31 0.00 0.00 43.02 41.36 20gs s PHE 55 CO 0.01 -0.07 -0.15 -0.65 1.83 0.00 0.00 175.22 176.18 20gs s GLN 56 N -0.94 1.80 -0.33 10.12 -0.21 -0.02 -0.35 119.66 129.73 20gs s GLN 56 Ca -0.07 -0.52 0.00 0.00 0.02 0.00 0.00 55.36 54.79 20gs s GLN 56 Cb -0.06 -1.51 0.10 0.00 1.00 0.00 0.00 33.01 32.54 20gs s GLN 56 CO -0.00 0.13 0.11 0.34 -2.12 0.00 0.00 175.29 173.75 20gs s ASP 57 N 0.36 4.11 1.37 5.90 -1.08 0.26 -2.11 116.67 125.48 20gs s ASP 57 Ca -0.10 -1.84 0.00 0.00 -0.52 0.00 0.00 52.55 50.09 20gs s ASP 57 Cb -0.14 -1.01 0.00 0.00 -1.46 0.00 0.00 42.92 40.31 20gs s ASP 57 CO 0.03 -0.39 0.00 0.61 0.52 0.00 0.00 175.17 175.94 20gs n GLY 58 N 4.60 3.35 0.00 2.66 0.00 -0.99 0.50 105.19 115.32 20gs n GLY 58 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.01 20gs n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 20gs n ASP 59 N 4.25 0.00 -4.48 1.61 5.75 -1.26 -4.80 116.55 117.61 20gs n ASP 59 Ca 0.00 -1.85 -0.33 0.00 -0.01 0.00 0.00 54.79 52.60 20gs n ASP 59 Cb 0.00 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 39.96 20gs n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 20gs s LEU 60 N -1.01 3.06 -0.11 -2.12 0.20 0.18 -5.10 118.68 113.77 20gs s LEU 60 Ca 0.01 -0.16 0.03 0.00 0.69 0.00 0.00 54.13 54.70 20gs s LEU 60 Cb 0.00 -1.70 0.00 0.00 -0.43 0.00 0.00 46.19 44.06 20gs s LEU 60 CO 0.00 0.22 -0.22 -0.89 -0.29 0.00 0.00 176.35 175.17 20gs s THR 61 N 0.03 2.16 0.08 3.68 2.01 -1.26 0.91 115.64 123.25 20gs s THR 61 Ca -0.02 -0.98 0.07 0.00 0.31 0.00 0.00 61.69 61.08 20gs s THR 61 Cb -0.14 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 20gs s THR 61 CO 0.03 0.55 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.56 20gs s LEU 62 N 0.46 2.27 0.31 4.42 1.02 0.53 -4.96 118.68 122.73 20gs s LEU 62 Ca -0.15 -0.63 0.07 0.00 0.02 0.00 0.00 54.13 53.43 20gs s LEU 62 Cb -0.17 -0.83 -0.06 0.00 0.02 0.00 0.00 46.19 45.15 20gs s LEU 62 CO 0.06 0.05 -0.04 -0.31 0.02 0.00 0.00 176.35 176.14 20gs s TYR 63 N -1.10 2.07 0.04 0.29 1.51 -1.26 0.34 117.35 119.24 20gs s TYR 63 Ca 0.05 -0.71 0.00 0.00 -1.01 0.00 0.00 57.07 55.40 20gs s TYR 63 Cb -0.10 -1.25 0.00 0.00 -0.11 0.00 0.00 41.96 40.51 20gs s TYR 63 CO 0.03 0.30 0.00 1.04 -1.11 0.00 0.00 175.55 175.81 20gs n GLN 64 N -0.67 -0.91 -0.14 -0.62 1.13 -1.22 -4.53 117.38 110.42 20gs n GLN 64 Ca -0.05 0.97 -0.04 0.00 -1.94 0.00 0.00 57.00 55.94 20gs n GLN 64 Cb 0.64 -0.70 0.05 0.00 0.11 0.00 0.00 30.24 30.34 20gs n GLN 64 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 20gs h SER 65 N 0.66 0.02 0.25 1.08 4.64 -1.87 -2.40 113.55 115.93 20gs h SER 65 Ca 0.00 0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 20gs h SER 65 Cb 0.00 0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 20gs h SER 65 CO 0.00 0.04 -0.30 0.78 -0.87 0.00 0.00 176.83 176.48 20gs h ASN 66 N 0.23 0.09 -0.41 4.97 2.35 -1.93 0.12 115.58 121.00 20gs h ASN 66 Ca 0.22 -0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.82 20gs h ASN 66 Cb 0.28 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 20gs h ASN 66 CO -0.28 0.39 -0.23 0.74 -1.65 0.00 0.00 177.43 176.40 20gs h THR 67 N 0.08 1.27 -0.14 2.81 2.02 -1.69 0.64 112.91 117.90 20gs h THR 67 Ca 0.01 -1.38 -0.06 0.00 0.77 0.00 0.00 66.41 65.75 20gs h THR 67 Cb 0.58 1.17 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 20gs h THR 67 CO 0.04 0.47 -0.14 0.40 0.37 0.00 0.00 175.52 176.66 20gs h ILE 68 N 0.79 1.35 -0.47 3.11 2.04 -0.95 -1.00 117.51 122.38 20gs h ILE 68 Ca 0.10 -1.30 0.05 0.00 1.00 0.00 0.00 64.86 64.71 20gs h ILE 68 Cb 0.79 1.89 -0.05 0.00 -0.74 0.00 0.00 36.82 38.71 20gs h ILE 68 CO 0.07 0.38 0.20 -0.07 0.00 0.00 0.00 178.15 178.73 20gs h LEU 69 N -0.03 0.25 -0.77 1.44 3.38 -0.64 0.35 115.31 119.29 20gs h LEU 69 Ca 0.02 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 20gs h LEU 69 Cb 0.67 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 20gs h LEU 69 CO 0.04 0.18 0.16 0.03 0.09 0.00 0.00 178.44 178.93 20gs h ARG 70 N 0.40 1.08 -0.03 1.13 3.08 -0.84 -0.68 114.38 118.52 20gs h ARG 70 Ca 0.21 -0.26 0.01 0.00 0.07 0.00 0.00 59.98 60.01 20gs h ARG 70 Cb 0.17 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 20gs h ARG 70 CO -0.18 0.96 -0.00 1.25 -1.07 0.00 0.00 179.97 180.92 20gs h HIS 71 N 1.03 -0.01 -0.59 3.04 2.76 -0.33 0.31 115.15 121.36 20gs h HIS 71 Ca 0.21 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.37 20gs h HIS 71 Cb 0.37 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.32 20gs h HIS 71 CO 0.03 -0.01 0.30 -0.07 -1.30 0.00 0.00 177.93 176.88 20gs h LEU 72 N 0.00 0.76 -0.47 0.26 4.07 -0.77 -0.30 115.31 118.86 20gs h LEU 72 Ca 0.01 -0.12 0.02 0.00 0.08 0.00 0.00 57.88 57.88 20gs h LEU 72 Cb 0.02 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.54 20gs h LEU 72 CO -0.03 0.66 0.28 1.23 -1.08 0.00 0.00 178.44 179.50 20gs h GLY 73 N 0.80 0.66 1.00 0.83 0.00 -0.69 0.68 103.07 106.36 20gs h GLY 73 Ca 0.20 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 20gs h GLY 73 CO -0.03 0.19 0.09 -0.09 0.00 0.00 0.00 176.54 176.70 20gs h ARG 74 N 0.57 0.87 0.14 4.80 2.43 -0.05 0.31 114.38 123.45 20gs h ARG 74 Ca 0.19 -0.23 -0.29 0.00 -0.81 0.00 0.00 59.98 58.84 20gs h ARG 74 Cb 0.00 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.46 20gs h ARG 74 CO -0.08 0.85 -1.31 1.79 -1.51 0.00 0.00 179.97 179.71 20gs h THR 75 N 0.75 1.43 -0.00 0.20 1.35 -0.78 -3.32 112.91 112.54 20gs h THR 75 Ca 0.16 -2.99 0.00 0.00 -0.55 0.00 0.00 66.41 63.03 20gs h THR 75 Cb 0.40 2.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.75 20gs h THR 75 CO 0.01 0.87 -0.32 0.18 -0.25 0.00 0.00 175.52 176.02 20gs n LEU 76 N -3.54 0.62 -0.42 3.87 4.32 0.24 -4.96 117.00 117.13 20gs n LEU 76 Ca -0.11 -0.04 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 20gs n LEU 76 Cb 1.04 -0.22 0.00 0.00 -1.62 0.00 0.00 43.42 42.62 20gs n LEU 76 CO 0.54 0.13 0.00 0.61 -1.22 0.00 0.00 177.39 177.45 20gs n GLY 77 N 1.41 0.96 2.68 -0.72 0.00 -0.33 -5.00 105.19 104.19 20gs n GLY 77 Ca 0.09 -0.59 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 20gs n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 20gs n LEU 78 N -0.42 4.07 -2.56 0.99 4.77 0.96 -4.80 117.00 120.01 20gs n LEU 78 Ca 0.00 -5.32 -0.01 0.00 -0.03 0.00 0.00 56.01 50.64 20gs n LEU 78 Cb 0.43 -0.35 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 20gs n LEU 78 CO 0.00 2.26 0.02 0.00 -1.33 0.00 0.00 177.39 178.34 20gs n TYR 79 N -0.28 1.19 0.00 -1.77 4.19 -1.25 -1.80 117.16 117.44 20gs n TYR 79 Ca 0.32 -1.91 0.00 0.00 3.31 0.00 0.00 57.90 59.62 20gs n TYR 79 Cb 0.54 -0.23 0.00 0.00 0.49 0.00 0.00 39.34 40.15 20gs n TYR 79 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 20gs n GLY 80 N -0.47 -1.81 0.01 2.98 0.00 -1.26 -3.83 105.19 100.81 20gs n GLY 80 Ca 0.10 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.71 20gs n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 20gs n LYS 81 N -1.54 0.04 -3.86 1.61 2.85 -1.26 -4.83 118.16 111.17 20gs n LYS 81 Ca 0.00 -0.03 -0.08 0.00 -1.05 0.00 0.00 58.31 57.15 20gs n LYS 81 Cb 0.00 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 32.87 20gs n LYS 81 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 20gs s ASP 82 N -2.98 -0.11 0.39 -5.58 1.47 -1.26 -5.03 116.67 103.57 20gs s ASP 82 Ca 0.11 -0.86 0.14 0.00 1.18 0.00 0.00 52.55 53.13 20gs s ASP 82 Cb 0.17 0.76 0.99 0.00 -0.34 0.00 0.00 42.92 44.51 20gs s ASP 82 CO 0.72 -1.46 1.85 1.56 0.68 0.00 0.00 175.17 178.52 20gs h GLN 83 N 2.02 0.49 -0.30 2.11 4.20 -1.92 -0.42 115.11 121.28 20gs h GLN 83 Ca -0.25 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 20gs h GLN 83 Cb 1.25 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 20gs h GLN 83 CO 0.31 0.32 0.13 0.37 -0.67 0.00 0.00 178.83 179.29 20gs h GLN 84 N 0.50 0.44 -0.23 1.46 4.15 -1.97 -1.19 115.11 118.27 20gs h GLN 84 Ca 0.48 -0.07 -0.12 0.00 0.77 0.00 0.00 58.65 59.70 20gs h GLN 84 Cb 1.05 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.65 20gs h GLN 84 CO -0.21 0.44 -0.37 0.93 -1.93 0.00 0.00 178.83 177.69 20gs h GLU 85 N 0.35 0.52 -0.56 1.69 5.08 -1.67 -2.84 114.58 117.14 20gs h GLU 85 Ca 0.10 -0.25 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 20gs h GLU 85 Cb 0.15 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 20gs h GLU 85 CO -0.01 0.82 0.33 0.00 -1.00 0.00 0.00 179.01 179.14 20gs h ALA 86 N 1.16 0.73 -0.10 3.43 0.00 -0.75 0.28 119.26 124.01 20gs h ALA 86 Ca 0.04 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 20gs h ALA 86 Cb 0.85 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 20gs h ALA 86 CO 0.07 0.03 -0.21 0.00 0.00 0.00 0.00 179.25 179.14 20gs h ALA 87 N 1.26 1.47 0.08 0.00 0.00 -1.05 -0.83 119.26 120.19 20gs h ALA 87 Ca 0.23 -0.24 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 20gs h ALA 87 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 20gs h ALA 87 CO -0.12 0.38 -1.31 -0.07 0.00 0.00 0.00 179.25 178.13 20gs h LEU 88 N 0.15 0.26 -0.36 0.00 3.38 -1.14 -1.57 115.31 116.05 20gs h LEU 88 Ca 0.03 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 20gs h LEU 88 Cb 0.46 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 20gs h LEU 88 CO 0.03 1.26 0.22 0.58 0.09 0.00 0.00 178.44 180.62 20gs h VAL 89 N 0.05 1.12 0.34 1.22 2.07 -0.18 -0.99 116.25 119.87 20gs h VAL 89 Ca -0.15 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 20gs h VAL 89 Cb 1.94 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 20gs h VAL 89 CO 0.16 0.12 -0.31 0.44 0.02 0.00 0.00 177.57 177.99 20gs h ASP 90 N 0.47 -0.84 -1.00 0.57 3.32 -1.13 -1.45 116.42 116.36 20gs h ASP 90 Ca 0.13 0.07 0.22 0.00 0.02 0.00 0.00 57.03 57.47 20gs h ASP 90 Cb 0.00 0.28 -0.12 0.00 0.22 0.00 0.00 39.33 39.71 20gs h ASP 90 CO -0.02 -0.45 0.59 -0.03 -1.72 0.00 0.00 179.24 177.60 20gs h MET 91 N -0.68 0.63 -0.34 3.56 4.05 -1.00 0.11 114.93 121.25 20gs h MET 91 Ca -0.02 -0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.25 20gs h MET 91 Cb 0.61 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 20gs h MET 91 CO -0.05 0.41 -0.23 0.28 0.23 0.00 0.00 176.91 177.56 20gs h VAL 92 N 0.64 1.29 -0.68 -5.77 2.07 -0.67 -2.81 116.25 110.33 20gs h VAL 92 Ca 0.61 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 20gs h VAL 92 Cb 1.08 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 20gs h VAL 92 CO -0.44 0.45 0.36 -1.13 0.02 0.00 0.00 177.57 176.83 20gs h ASN 93 N 0.54 0.87 -0.80 0.57 -1.24 0.03 -0.51 115.58 115.03 20gs h ASN 93 Ca 0.07 -0.11 0.01 0.00 0.71 0.00 0.00 56.30 56.98 20gs h ASN 93 Cb 0.79 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 39.58 20gs h ASN 93 CO 0.06 0.73 0.53 0.44 -1.29 0.00 0.00 177.43 177.90 20gs h ASP 94 N 0.94 0.91 -0.43 1.15 5.19 -1.21 0.30 116.42 123.27 20gs h ASP 94 Ca 0.24 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.59 20gs h ASP 94 Cb 0.07 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.34 20gs h ASP 94 CO -0.04 0.65 0.13 1.23 -3.12 0.00 0.00 179.24 178.09 20gs h GLY 95 N 1.07 0.72 0.73 2.75 0.00 -1.19 0.98 103.07 108.13 20gs h GLY 95 Ca 0.30 -0.43 0.03 0.00 0.00 0.00 0.00 47.33 47.23 20gs h GLY 95 CO -0.08 0.40 0.00 -2.08 0.00 0.00 0.00 176.54 174.79 20gs h VAL 96 N 0.55 0.88 -0.32 4.60 2.07 -0.44 -1.48 116.25 122.11 20gs h VAL 96 Ca 0.14 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.65 20gs h VAL 96 Cb 0.28 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 20gs h VAL 96 CO -0.00 0.01 0.21 -0.08 0.02 0.00 0.00 177.57 177.73 20gs h GLU 97 N 0.06 0.38 -0.36 1.57 4.57 -0.14 0.83 114.58 121.49 20gs h GLU 97 Ca 0.08 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 20gs h GLU 97 Cb 0.10 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 20gs h GLU 97 CO -0.14 0.25 0.08 -0.44 -1.18 0.00 0.00 179.01 177.58 20gs h ASP 98 N 0.39 0.55 0.06 1.04 3.32 0.21 0.94 116.42 122.94 20gs h ASP 98 Ca 0.12 -0.24 -0.21 0.00 0.02 0.00 0.00 57.03 56.72 20gs h ASP 98 Cb 0.01 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.42 20gs h ASP 98 CO -0.03 0.65 -0.79 0.25 -1.72 0.00 0.00 179.24 177.61 20gs h LEU 99 N 0.43 0.72 -0.81 1.55 5.85 -0.82 -2.93 115.31 119.31 20gs h LEU 99 Ca 0.11 -0.49 0.01 0.00 0.84 0.00 0.00 57.88 58.36 20gs h LEU 99 Cb 0.32 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 20gs h LEU 99 CO 0.00 1.27 0.53 -0.09 -0.34 0.00 0.00 178.44 179.81 20gs h ARG 100 N 0.40 1.04 -0.84 1.25 2.43 -0.68 0.24 114.38 118.23 20gs h ARG 100 Ca -0.05 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.10 20gs h ARG 100 Cb 1.40 -0.24 -0.06 0.00 -0.42 0.00 0.00 29.97 30.66 20gs h ARG 100 CO 0.15 0.69 0.53 0.00 -1.51 0.00 0.00 179.97 179.83 20gs h LYS 102 N 1.00 0.12 0.27 0.00 1.57 -1.17 -2.67 116.57 115.70 20gs h LYS 102 Ca 0.35 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 20gs h LYS 102 Cb 0.09 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.43 20gs h LYS 102 CO -0.14 0.82 -0.13 -0.92 -0.57 0.00 0.00 179.45 178.51 20gs h TYR 103 N 0.08 -0.34 -0.74 -1.35 3.20 -0.15 -1.06 116.97 116.62 20gs h TYR 103 Ca -0.02 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.93 20gs h TYR 103 Cb 1.34 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 39.67 20gs h TYR 103 CO 0.02 -0.18 0.48 0.82 -1.64 0.00 0.00 178.16 177.66 20gs h ILE 104 N -0.41 0.95 -0.18 1.81 2.04 -0.98 0.12 117.51 120.86 20gs h ILE 104 Ca -0.04 -0.23 -0.11 0.00 1.00 0.00 0.00 64.86 65.49 20gs h ILE 104 Cb 0.31 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 20gs h ILE 104 CO 0.06 0.12 -0.34 -1.28 0.00 0.00 0.00 178.15 176.71 20gs h SER 105 N 0.66 0.39 0.76 1.72 0.87 -1.07 -1.74 113.55 115.15 20gs h SER 105 Ca 0.33 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 20gs h SER 105 Cb 0.43 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.29 20gs h SER 105 CO -0.12 0.71 -0.37 0.25 -0.53 0.00 0.00 176.83 176.78 20gs h LEU 106 N 0.33 -0.87 -0.50 2.23 5.85 0.30 -1.14 115.31 121.51 20gs h LEU 106 Ca 0.04 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.89 20gs h LEU 106 Cb 0.76 0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.92 20gs h LEU 106 CO 0.06 -0.50 -0.17 0.40 -0.34 0.00 0.00 178.44 177.90 20gs h ILE 107 N -1.27 0.42 -0.01 4.05 1.08 -1.27 -1.48 117.51 119.02 20gs h ILE 107 Ca -0.10 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 20gs h ILE 107 Cb 0.78 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 20gs h ILE 107 CO 0.17 0.00 -0.37 -1.22 -0.69 0.00 0.00 178.15 176.04 20gs n TYR 108 N -5.39 0.00 -0.04 1.37 4.01 -0.66 -4.48 117.16 111.97 20gs n TYR 108 Ca 0.04 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.69 20gs n TYR 108 Cb 0.29 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.25 20gs n TYR 108 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 20gs n THR 109 N -0.19 0.78 -2.92 -0.72 -1.04 -0.43 -4.95 114.28 104.80 20gs n THR 109 Ca 0.11 -0.03 -0.14 0.00 -2.04 0.00 0.00 64.05 61.94 20gs n THR 109 Cb 0.43 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.24 20gs n THR 109 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 20gs n ASN 110 N -3.57 -1.73 0.00 8.00 0.23 -0.93 -5.03 115.26 112.24 20gs n ASN 110 Ca -0.17 -3.06 0.00 0.00 -0.53 0.00 0.00 54.58 50.82 20gs n ASN 110 Cb 0.53 0.88 0.00 0.00 -2.08 0.00 0.00 39.78 39.11 20gs n ASN 110 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 20gs n TYR 111 N 1.59 0.00 -0.33 -2.53 4.19 -0.60 -1.19 117.16 118.29 20gs n TYR 111 Ca 0.14 0.00 0.13 0.00 3.31 0.00 0.00 57.90 61.48 20gs n TYR 111 Cb 0.59 -0.50 0.31 0.00 0.49 0.00 0.00 39.34 40.24 20gs n TYR 111 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 20gs h GLU 112 N 0.00 0.57 0.00 2.98 3.07 -1.94 -0.37 114.58 118.90 20gs h GLU 112 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 20gs h GLU 112 Cb 0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 27.78 20gs h GLU 112 CO 0.00 0.38 -0.64 0.00 -1.40 0.00 0.00 179.01 177.35 20gs h ALA 113 N 1.67 0.64 -0.04 3.43 0.00 -1.98 -3.38 119.26 119.60 20gs h ALA 113 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 20gs h ALA 113 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 20gs h ALA 113 CO -0.44 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.22 20gs n GLY 114 N 1.23 0.28 0.20 0.00 0.00 -0.33 -4.75 105.19 101.81 20gs n GLY 114 Ca 0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 20gs n GLY 114 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 20gs h LYS 115 N 0.71 0.55 0.35 1.61 3.64 -1.24 -1.70 116.57 120.49 20gs h LYS 115 Ca 0.00 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 20gs h LYS 115 Cb 0.30 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 20gs h LYS 115 CO 0.00 0.37 -0.18 -0.44 -2.27 0.00 0.00 179.45 176.93 20gs h ASP 116 N 0.57 -0.43 -0.78 4.20 5.19 -1.86 -1.05 116.42 122.26 20gs h ASP 116 Ca 0.20 0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.66 20gs h ASP 116 Cb 0.04 0.12 -0.04 0.00 0.18 0.00 0.00 39.33 39.62 20gs h ASP 116 CO -0.10 -0.30 0.51 0.44 -3.12 0.00 0.00 179.24 176.67 20gs h ASP 117 N -0.49 0.84 -0.38 6.45 5.19 -1.88 0.39 116.42 126.54 20gs h ASP 117 Ca -0.04 -0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.30 20gs h ASP 117 Cb 0.38 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 20gs h ASP 117 CO 0.07 0.59 0.04 0.22 -3.12 0.00 0.00 179.24 177.03 20gs h TYR 118 N 0.98 0.69 -0.30 4.55 5.03 -0.94 -0.55 116.97 126.43 20gs h TYR 118 Ca 0.30 -0.11 -0.13 0.00 2.58 0.00 0.00 58.73 61.38 20gs h TYR 118 Cb -0.01 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.08 20gs h TYR 118 CO -0.00 0.70 -0.35 0.28 -1.32 0.00 0.00 178.16 177.48 20gs h VAL 119 N 0.48 1.29 -0.82 1.81 2.07 -0.79 -0.84 116.25 119.44 20gs h VAL 119 Ca 0.11 -1.49 0.02 0.00 0.82 0.00 0.00 66.70 66.16 20gs h VAL 119 Cb 0.40 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 20gs h VAL 119 CO 0.01 0.48 0.54 0.11 0.02 0.00 0.00 177.57 178.73 20gs h LYS 120 N 0.56 1.03 -0.00 1.57 1.57 -0.69 -1.94 116.57 118.67 20gs h LYS 120 Ca 0.06 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 20gs h LYS 120 Cb 0.86 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.94 20gs h LYS 120 CO 0.07 0.68 -0.10 0.00 -0.57 0.00 0.00 179.45 179.54 20gs n ALA 121 N -2.33 2.71 0.07 3.86 0.00 -0.23 -4.28 120.51 120.31 20gs n ALA 121 Ca 0.09 -0.23 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 20gs n ALA 121 Cb 0.06 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.07 20gs n ALA 121 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 20gs h LEU 122 N 0.36 -0.18 -0.54 0.00 6.46 -0.33 -2.95 115.31 118.14 20gs h LEU 122 Ca 0.00 0.02 0.11 0.00 -0.12 0.00 0.00 57.88 57.89 20gs h LEU 122 Cb 0.35 0.07 -0.10 0.00 -0.73 0.00 0.00 40.66 40.25 20gs h LEU 122 CO 0.00 -0.11 -0.08 -0.65 -0.62 0.00 0.00 178.44 176.98 20gs h PRO 123 N -0.15 0.04 -0.54 5.25 0.11 -1.74 1.12 132.00 136.09 20gs h PRO 123 Ca 0.01 -0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.27 20gs h PRO 123 Cb 0.15 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 20gs h PRO 123 CO -0.02 0.03 0.50 0.78 -0.21 0.00 0.00 178.00 179.07 20gs h GLY 124 N 0.04 0.00 1.15 -0.55 0.00 -1.80 0.13 103.07 102.04 20gs h GLY 124 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.37 20gs h GLY 124 CO -0.52 0.00 -1.46 1.46 0.00 0.00 0.00 176.54 176.03 20gs h GLN 125 N 0.00 0.00 0.00 4.80 1.08 0.13 -3.37 115.11 117.76 20gs h GLN 125 Ca 0.26 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.35 20gs h GLN 125 Cb 1.25 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.66 20gs h GLN 125 CO -0.00 0.48 -0.80 -0.07 -0.95 0.00 0.00 178.83 177.49 20gs h LEU 126 N 0.00 0.00 -0.48 1.46 3.38 0.99 -3.38 115.31 117.28 20gs h LEU 126 Ca -0.20 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.87 20gs h LEU 126 Cb 1.80 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.46 20gs h LEU 126 CO 0.07 0.43 -0.13 0.11 0.09 0.00 0.00 178.44 179.01 20gs h LYS 127 N 0.00 -0.02 -0.91 1.13 1.57 -1.42 -2.40 116.57 114.52 20gs h LYS 127 Ca -0.05 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 58.94 20gs h LYS 127 Cb 1.37 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.62 20gs h LYS 127 CO 0.05 -0.01 0.61 -1.35 -0.57 0.00 0.00 179.45 178.17 20gs h PRO 128 N -0.02 0.37 0.02 3.15 0.11 -1.81 0.34 132.00 134.16 20gs h PRO 128 Ca 0.23 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 66.12 20gs h PRO 128 Cb 0.37 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 20gs h PRO 128 CO -0.50 0.24 -0.95 0.74 -0.21 0.00 0.00 178.00 177.32 20gs h PHE 129 N 0.38 0.11 -0.25 0.65 0.04 -1.71 -0.66 116.94 115.50 20gs h PHE 129 Ca 0.48 -0.07 -0.06 0.00 2.80 0.00 0.00 57.97 61.12 20gs h PHE 129 Cb 1.23 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.37 20gs h PHE 129 CO -0.00 0.97 -0.08 1.49 -0.60 0.00 0.00 178.31 180.09 20gs h GLU 130 N 0.03 0.50 -0.53 1.51 4.57 -0.93 -1.60 114.58 118.13 20gs h GLU 130 Ca -0.03 -0.20 0.01 0.00 -1.18 0.00 0.00 59.36 57.96 20gs h GLU 130 Cb 1.65 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 30.18 20gs h GLU 130 CO 0.13 0.73 0.34 1.15 -1.18 0.00 0.00 179.01 180.19 20gs h THR 131 N 0.24 1.12 -0.91 0.32 2.02 -0.94 -0.54 112.91 114.22 20gs h THR 131 Ca 0.06 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.01 20gs h THR 131 Cb 0.56 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 20gs h THR 131 CO 0.03 0.13 0.58 -0.07 0.37 0.00 0.00 175.52 176.55 20gs h LEU 132 N 0.70 1.06 -0.15 2.58 3.38 -0.98 -2.69 115.31 119.22 20gs h LEU 132 Ca 0.20 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 20gs h LEU 132 Cb -0.06 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 20gs h LEU 132 CO -0.05 0.79 0.05 0.25 0.09 0.00 0.00 178.44 179.56 20gs h LEU 133 N 1.24 0.22 -2.21 1.67 5.85 -0.51 -2.88 115.31 118.69 20gs h LEU 133 Ca 0.33 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.88 20gs h LEU 133 Cb -0.10 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 20gs h LEU 133 CO -0.07 0.36 0.11 0.77 -0.34 0.00 0.00 178.44 179.28 20gs h SER 134 N 0.06 0.00 0.02 1.25 4.64 -0.81 0.23 113.55 118.95 20gs h SER 134 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 20gs h SER 134 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 20gs h SER 134 CO -0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 176.83 175.95 20gs n GLN 135 N -4.08 1.28 -4.02 4.77 6.02 -1.07 -3.56 117.38 116.72 20gs n GLN 135 Ca -0.00 -0.46 -0.31 0.00 -0.01 0.00 0.00 57.00 56.22 20gs n GLN 135 Cb 0.22 -1.49 -0.16 0.00 1.02 0.00 0.00 30.24 29.84 20gs n GLN 135 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 20gs s ASN 136 N -2.03 3.67 -0.98 1.08 2.47 -0.48 -4.79 114.94 113.89 20gs s ASN 136 Ca 0.42 -1.02 -0.09 0.00 0.42 0.00 0.00 52.86 52.59 20gs s ASN 136 Cb 0.21 -1.33 0.09 0.00 -1.45 0.00 0.00 41.25 38.78 20gs s ASN 136 CO 0.36 -0.15 0.23 0.00 -3.72 0.00 0.00 177.10 173.82 20gs n GLN 137 N 4.61 -0.88 -2.73 0.43 6.02 -1.26 0.71 117.38 124.28 20gs n GLN 137 Ca -0.15 0.07 -0.21 0.00 -0.01 0.00 0.00 57.00 56.70 20gs n GLN 137 Cb 0.46 -2.39 0.01 0.00 1.02 0.00 0.00 30.24 29.34 20gs n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 20gs n GLY 138 N -1.12 -0.51 3.02 1.08 0.00 -1.23 -2.29 105.19 104.14 20gs n GLY 138 Ca -0.01 0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 20gs n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 20gs n GLY 139 N -1.23 -0.43 0.01 -0.02 0.00 0.22 -4.78 105.19 98.96 20gs n GLY 139 Ca -0.17 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.03 20gs n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 20gs n LYS 140 N -3.97 0.61 0.00 1.61 4.76 -0.97 -4.81 118.16 115.39 20gs n LYS 140 Ca -0.08 -0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.18 20gs n LYS 140 Cb 0.60 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.32 20gs n LYS 140 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 20gs n THR 141 N -2.21 0.00 -4.62 -0.18 -2.24 -1.26 -5.11 114.28 98.66 20gs n THR 141 Ca -0.05 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.45 20gs n THR 141 Cb 0.54 -0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.69 20gs n THR 141 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 20gs n PHE 142 N 0.00 0.72 0.36 4.78 3.72 -1.26 -5.02 117.46 120.76 20gs n PHE 142 Ca 0.00 -2.43 0.14 0.00 -0.05 0.00 0.00 57.45 55.11 20gs n PHE 142 Cb 0.00 -0.19 0.52 0.00 -0.94 0.00 0.00 39.48 38.86 20gs n PHE 142 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 20gs h ILE 143 N 1.41 0.00 -2.43 4.37 6.09 -1.96 -3.43 117.51 121.55 20gs h ILE 143 Ca -0.36 -0.47 -0.07 0.00 -1.37 0.00 0.00 64.86 62.59 20gs h ILE 143 Cb 1.19 1.37 -0.25 0.00 0.47 0.00 0.00 36.82 39.61 20gs h ILE 143 CO 0.59 0.00 -0.20 -0.69 -3.07 0.00 0.00 178.15 174.78 20gs s VAL 144 N -3.41 -0.09 0.04 2.19 1.01 -1.26 -4.81 120.40 114.07 20gs s VAL 144 Ca 0.04 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.09 20gs s VAL 144 Cb 0.09 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.73 20gs s VAL 144 CO 0.51 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.25 20gs n GLY 145 N 4.39 -1.53 1.13 4.51 0.00 -1.26 -4.29 105.19 108.14 20gs n GLY 145 Ca -0.21 -1.20 0.08 0.00 0.00 0.00 0.00 46.02 44.70 20gs n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 20gs n ASP 146 N -1.72 4.30 -4.12 1.61 5.68 -1.26 -4.08 116.55 116.96 20gs n ASP 146 Ca 0.00 -2.94 -0.17 0.00 -0.50 0.00 0.00 54.79 51.18 20gs n ASP 146 Cb 0.08 -0.57 -0.12 0.00 -1.14 0.00 0.00 41.12 39.37 20gs n ASP 146 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 20gs s GLN 147 N -2.72 0.74 0.66 0.11 -2.07 -1.26 -4.88 119.66 110.23 20gs s GLN 147 Ca 0.45 -0.78 -0.16 0.00 -1.82 0.00 0.00 55.36 53.04 20gs s GLN 147 Cb 0.35 -0.68 -0.00 0.00 -1.09 0.00 0.00 33.01 31.59 20gs s GLN 147 CO 0.11 0.15 1.17 -1.50 -1.32 0.00 0.00 175.29 173.91 20gs s ILE 148 N -1.09 2.73 0.10 3.63 2.07 -1.26 -4.78 121.20 122.59 20gs s ILE 148 Ca -0.03 0.38 -0.03 0.00 -1.41 0.00 0.00 60.65 59.57 20gs s ILE 148 Cb -0.09 -2.99 -0.03 0.00 0.13 0.00 0.00 42.46 39.48 20gs s ILE 148 CO 0.01 -0.16 0.06 -0.94 -1.91 0.00 0.00 174.94 172.00 20gs s SER 149 N -2.04 0.34 0.57 4.50 1.04 -1.26 -4.58 113.70 112.26 20gs s SER 149 Ca 0.73 -1.03 0.28 0.00 0.48 0.00 0.00 55.95 56.41 20gs s SER 149 Cb -0.27 0.28 1.49 0.00 0.10 0.00 0.00 66.02 67.62 20gs s SER 149 CO 0.39 -0.69 1.96 2.19 0.98 0.00 0.00 173.24 178.07 20gs h PHE 150 N 2.94 0.00 0.00 5.02 -5.15 -1.69 0.28 116.94 118.34 20gs h PHE 150 Ca -0.34 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.37 20gs h PHE 150 Cb 1.18 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.34 20gs h PHE 150 CO 0.47 0.00 -0.27 0.00 -2.00 0.00 0.00 178.31 176.51 20gs h ALA 151 N 1.60 1.25 -0.01 12.09 0.00 -1.86 -2.03 119.26 130.29 20gs h ALA 151 Ca 0.22 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 20gs h ALA 151 Cb 1.05 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 20gs h ALA 151 CO -0.00 0.34 0.00 -0.44 0.00 0.00 0.00 179.25 179.15 20gs h ASP 152 N 0.00 0.02 -0.58 0.00 3.32 -0.84 0.10 116.42 118.44 20gs h ASP 152 Ca -0.00 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 20gs h ASP 152 Cb 0.60 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 20gs h ASP 152 CO 0.04 0.22 0.28 1.88 -1.72 0.00 0.00 179.24 179.93 20gs h TYR 153 N -0.18 0.82 -0.20 4.55 0.05 -1.51 0.11 116.97 120.61 20gs h TYR 153 Ca 0.00 -0.04 -0.09 0.00 0.05 0.00 0.00 58.73 58.66 20gs h TYR 153 Cb 0.21 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 20gs h TYR 153 CO -0.01 0.63 -0.25 -0.97 -1.05 0.00 0.00 178.16 176.52 20gs h ASN 154 N 0.78 0.37 -0.06 3.88 -1.24 -1.21 -2.08 115.58 116.02 20gs h ASN 154 Ca 0.20 -0.12 -0.14 0.00 0.71 0.00 0.00 56.30 56.95 20gs h ASN 154 Cb 0.11 -0.10 0.01 0.00 0.73 0.00 0.00 38.32 39.07 20gs h ASN 154 CO -0.03 0.62 -0.51 0.25 -1.29 0.00 0.00 177.43 176.48 20gs h LEU 155 N 0.34 0.54 -0.93 0.34 5.85 -0.40 -2.54 115.31 118.51 20gs h LEU 155 Ca 0.05 -0.69 0.15 0.00 0.84 0.00 0.00 57.88 58.23 20gs h LEU 155 Cb 0.62 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.39 20gs h LEU 155 CO 0.04 1.15 0.54 0.25 -0.34 0.00 0.00 178.44 180.09 20gs h LEU 156 N -0.02 0.73 0.04 2.25 5.85 -0.65 0.12 115.31 123.63 20gs h LEU 156 Ca -0.05 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 20gs h LEU 156 Cb 1.18 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.15 20gs h LEU 156 CO 0.10 0.33 -0.02 -0.78 -0.34 0.00 0.00 178.44 177.73 20gs h ASP 157 N 0.79 -0.05 -0.74 1.25 3.58 -1.36 -0.71 116.42 119.17 20gs h ASP 157 Ca 0.50 -0.22 0.10 0.00 0.42 0.00 0.00 57.03 57.83 20gs h ASP 157 Cb 0.64 0.01 -0.08 0.00 1.72 0.00 0.00 39.33 41.63 20gs h ASP 157 CO -0.33 0.19 0.37 0.25 -2.88 0.00 0.00 179.24 176.85 20gs h LEU 158 N -0.30 0.47 0.39 2.28 5.85 -0.80 0.52 115.31 123.73 20gs h LEU 158 Ca -0.01 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 20gs h LEU 158 Cb 0.27 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.29 20gs h LEU 158 CO 0.01 0.26 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.11 20gs h LEU 159 N 0.61 -0.44 -0.65 2.25 3.38 -0.74 -2.64 115.31 117.08 20gs h LEU 159 Ca 0.37 -0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.38 20gs h LEU 159 Cb 0.42 0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.16 20gs h LEU 159 CO -0.29 -0.15 -0.08 -0.07 0.09 0.00 0.00 178.44 177.93 20gs h LEU 160 N -0.73 -0.46 -1.03 1.67 3.38 -0.42 -0.53 115.31 117.19 20gs h LEU 160 Ca -0.05 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.10 20gs h LEU 160 Cb 0.51 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.61 20gs h LEU 160 CO 0.09 -0.18 0.00 0.16 0.09 0.00 0.00 178.44 178.60 20gs h ILE 161 N 0.05 0.00 0.00 1.22 3.07 -0.89 -2.80 117.51 118.16 20gs h ILE 161 Ca 0.33 -0.53 -0.24 0.00 1.55 0.00 0.00 64.86 65.96 20gs h ILE 161 Cb 0.53 1.48 -0.04 0.00 -0.27 0.00 0.00 36.82 38.52 20gs h ILE 161 CO -0.62 0.00 -1.28 0.45 -1.05 0.00 0.00 178.15 175.65 20gs h HIS 162 N 0.00 0.01 0.00 0.16 3.86 -0.75 -2.72 115.15 115.71 20gs h HIS 162 Ca 0.00 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 20gs h HIS 162 Cb 0.57 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.04 20gs h HIS 162 CO 0.00 1.01 -0.15 0.93 0.86 0.00 0.00 177.93 180.58 20gs h GLU 163 N 0.00 0.00 0.00 2.45 5.08 -1.05 0.62 114.58 121.68 20gs h GLU 163 Ca -0.12 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.03 20gs h GLU 163 Cb 1.87 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.09 20gs h GLU 163 CO 0.11 0.15 -1.03 0.28 -1.00 0.00 0.00 179.01 177.52 20gs h VAL 164 N 0.00 1.47 0.17 3.13 2.07 -1.51 -1.65 116.25 119.93 20gs h VAL 164 Ca -0.00 -3.14 -0.31 0.00 0.82 0.00 0.00 66.70 64.06 20gs h VAL 164 Cb 0.38 2.72 0.03 0.00 -1.52 0.00 0.00 31.29 32.90 20gs h VAL 164 CO 0.02 0.84 -1.33 0.25 0.02 0.00 0.00 177.57 177.36 20gs h LEU 165 N 0.00 0.87 -6.20 2.57 5.85 -0.75 -3.40 115.31 114.25 20gs h LEU 165 Ca -0.05 -0.86 -0.58 0.00 0.84 0.00 0.00 57.88 57.24 20gs h LEU 165 Cb 1.74 -0.28 -0.38 0.00 0.37 0.00 0.00 40.66 42.11 20gs h LEU 165 CO 0.11 1.65 -1.04 0.00 -0.34 0.00 0.00 178.44 178.83 20gs n ALA 166 N -2.70 2.67 -1.46 1.25 0.00 0.20 -5.09 120.51 115.39 20gs n ALA 166 Ca -0.15 -3.23 -0.43 0.00 0.00 0.00 0.00 53.44 49.62 20gs n ALA 166 Cb 1.03 -0.78 -0.00 0.00 0.00 0.00 0.00 19.45 19.70 20gs n ALA 166 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 20gs n PRO 167 N 2.21 0.57 0.00 0.00 -0.02 -0.62 -1.23 135.00 135.91 20gs n PRO 167 Ca 0.26 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 20gs n PRO 167 Cb 0.50 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 20gs n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 20gs n GLY 168 N 1.76 2.89 0.00 -1.23 0.00 -1.26 -4.84 105.19 102.50 20gs n GLY 168 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 20gs n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 20gs n LEU 170 N -1.16 2.94 -0.09 0.00 4.32 -1.26 -4.59 117.00 117.15 20gs n LEU 170 Ca 0.00 -1.96 -0.10 0.00 -0.02 0.00 0.00 56.01 53.93 20gs n LEU 170 Cb 0.06 -0.23 0.04 0.00 -1.62 0.00 0.00 43.42 41.67 20gs n LEU 170 CO 0.00 0.73 0.62 0.44 -1.22 0.00 0.00 177.39 177.96 20gs h ASP 171 N 2.14 0.86 -0.17 -1.43 3.32 -0.33 -3.12 116.42 117.70 20gs h ASP 171 Ca 0.00 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.69 20gs h ASP 171 Cb 0.73 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.04 20gs h ASP 171 CO 0.00 1.11 0.00 0.00 -1.72 0.00 0.00 179.24 178.63 20gs n ALA 172 N -2.52 2.50 -3.41 3.45 0.00 -1.26 -4.31 120.51 114.96 20gs n ALA 172 Ca -0.01 -0.35 -0.26 0.00 0.00 0.00 0.00 53.44 52.81 20gs n ALA 172 Cb 0.50 -1.05 -0.09 0.00 0.00 0.00 0.00 19.45 18.81 20gs n ALA 172 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 20gs n PHE 173 N 0.01 0.41 0.04 0.00 3.72 -1.18 -4.98 117.46 115.48 20gs n PHE 173 Ca 0.10 -3.64 0.22 0.00 -0.05 0.00 0.00 57.45 54.08 20gs n PHE 173 Cb 0.19 -0.15 0.73 0.00 -0.94 0.00 0.00 39.48 39.30 20gs n PHE 173 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 20gs h PRO 174 N 4.92 0.00 0.20 -1.08 0.13 -1.76 -1.00 132.00 133.41 20gs h PRO 174 Ca 0.18 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.99 20gs h PRO 174 Cb 0.85 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.00 20gs h PRO 174 CO 0.51 0.00 -1.45 -0.07 -0.23 0.00 0.00 178.00 176.75 20gs h LEU 175 N 0.00 0.66 -0.31 1.56 4.07 -1.93 -2.37 115.31 116.99 20gs h LEU 175 Ca 0.24 -0.75 -0.08 0.00 0.08 0.00 0.00 57.88 57.38 20gs h LEU 175 Cb 1.21 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.73 20gs h LEU 175 CO -0.00 1.60 -0.10 -0.07 -1.08 0.00 0.00 178.44 178.78 20gs h LEU 176 N 0.12 0.62 -0.15 1.67 3.38 -1.61 -1.42 115.31 117.93 20gs h LEU 176 Ca -0.23 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.39 20gs h LEU 176 Cb 2.10 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.64 20gs h LEU 176 CO 0.24 0.86 -0.05 0.28 0.09 0.00 0.00 178.44 179.86 20gs h SER 177 N 0.38 -0.18 0.15 -0.43 0.02 -1.30 0.67 113.55 112.87 20gs h SER 177 Ca 0.08 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.01 20gs h SER 177 Cb 0.60 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 20gs h SER 177 CO 0.04 -0.07 -0.24 0.00 -1.14 0.00 0.00 176.83 175.42 20gs h ALA 178 N 1.12 1.43 -0.38 3.77 0.00 -1.38 -2.23 119.26 121.58 20gs h ALA 178 Ca 0.07 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 20gs h ALA 178 Cb 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 20gs h ALA 178 CO -0.16 0.41 -0.13 -0.92 0.00 0.00 0.00 179.25 178.45 20gs h TYR 179 N 0.15 0.86 -0.66 0.00 3.20 -0.35 0.16 116.97 120.34 20gs h TYR 179 Ca 0.03 -0.20 -0.07 0.00 3.14 0.00 0.00 58.73 61.62 20gs h TYR 179 Cb 0.51 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 20gs h TYR 179 CO 0.01 0.92 0.12 0.28 -1.64 0.00 0.00 178.16 177.84 20gs h VAL 180 N 0.57 1.26 -0.10 1.81 2.07 -0.59 -1.93 116.25 119.34 20gs h VAL 180 Ca 0.09 -1.01 -0.18 0.00 0.82 0.00 0.00 66.70 66.42 20gs h VAL 180 Cb 0.66 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 20gs h VAL 180 CO 0.04 0.38 -0.68 1.23 0.02 0.00 0.00 177.57 178.57 20gs h GLY 181 N 1.01 0.46 0.78 2.17 0.00 -1.25 -1.69 103.07 104.56 20gs h GLY 181 Ca 0.20 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 20gs h GLY 181 CO 0.01 0.55 -0.13 -0.09 0.00 0.00 0.00 176.54 176.88 20gs h ARG 182 N 0.30 0.40 -0.22 4.80 2.43 -0.81 -2.88 114.38 118.41 20gs h ARG 182 Ca -0.02 -0.20 -0.17 0.00 -0.81 0.00 0.00 59.98 58.78 20gs h ARG 182 Cb 1.24 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 20gs h ARG 182 CO 0.12 0.74 -0.53 -0.07 -1.51 0.00 0.00 179.97 178.72 20gs h LEU 183 N 0.07 0.85 -1.80 3.80 3.38 -1.42 -3.02 115.31 117.17 20gs h LEU 183 Ca 0.03 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.44 20gs h LEU 183 Cb 0.65 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.15 20gs h LEU 183 CO 0.04 1.26 0.00 0.28 0.09 0.00 0.00 178.44 180.11 20gs h SER 184 N 0.47 0.00 0.06 -0.43 0.02 -1.33 -0.96 113.55 111.38 20gs h SER 184 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 20gs h SER 184 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 20gs h SER 184 CO 0.12 0.00 -0.22 0.00 -1.14 0.00 0.00 176.83 175.59 20gs n ALA 185 N -1.85 2.99 -1.83 3.77 0.00 -1.09 -3.77 120.51 118.74 20gs n ALA 185 Ca -0.02 -0.54 -0.42 0.00 0.00 0.00 0.00 53.44 52.46 20gs n ALA 185 Cb 0.04 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 20gs n ALA 185 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 20gs s ARG 186 N -2.29 4.17 0.00 0.00 0.52 -0.37 -4.73 118.95 116.25 20gs s ARG 186 Ca 0.26 2.46 0.00 0.00 -0.52 0.00 0.00 55.73 57.93 20gs s ARG 186 Cb 0.19 -3.53 0.00 0.00 0.52 0.00 0.00 34.95 32.14 20gs s ARG 186 CO 0.45 -0.77 0.34 -2.30 0.02 0.00 0.00 175.30 173.04 20gs n PRO 187 N 5.40 0.00 -0.29 3.54 -0.02 -1.26 0.80 135.00 143.17 20gs n PRO 187 Ca 0.16 0.34 -0.01 0.00 -2.02 0.00 0.00 63.50 61.97 20gs n PRO 187 Cb 0.39 -0.55 0.11 0.00 -0.02 0.00 0.00 33.50 33.43 20gs n PRO 187 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 20gs h LYS 188 N 0.00 0.92 -0.29 -0.52 1.57 -1.90 -1.26 116.57 115.08 20gs h LYS 188 Ca 0.00 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 20gs h LYS 188 Cb 0.00 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 20gs h LYS 188 CO 0.00 0.61 -0.08 1.25 -0.57 0.00 0.00 179.45 180.66 20gs h LEU 189 N 0.95 0.58 -0.27 2.94 6.46 -1.53 0.09 115.31 124.52 20gs h LEU 189 Ca 0.34 -0.37 0.05 0.00 -0.12 0.00 0.00 57.88 57.77 20gs h LEU 189 Cb 0.09 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 39.82 20gs h LEU 189 CO -0.14 0.82 -0.01 0.50 -0.62 0.00 0.00 178.44 178.99 20gs h LYS 190 N 0.34 0.07 0.16 1.25 3.64 0.71 0.32 116.57 123.06 20gs h LYS 190 Ca 0.07 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 20gs h LYS 190 Cb 0.57 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 20gs h LYS 190 CO 0.03 0.05 -0.11 0.00 -2.27 0.00 0.00 179.45 177.15 20gs h ALA 191 N 1.24 -0.26 0.16 5.00 0.00 -1.15 -2.39 119.26 121.87 20gs h ALA 191 Ca 0.13 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.01 20gs h ALA 191 Cb 0.17 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 20gs h ALA 191 CO -0.22 -0.65 -0.31 0.35 0.00 0.00 0.00 179.25 178.41 20gs h PHE 192 N -0.27 -0.85 0.00 0.00 3.57 -0.30 -1.30 116.94 117.79 20gs h PHE 192 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 20gs h PHE 192 Cb 0.24 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.33 20gs h PHE 192 CO -0.09 -0.42 0.05 -0.07 -2.23 0.00 0.00 178.31 175.54 20gs h LEU 193 N -0.56 0.00 0.00 0.59 3.38 -0.28 0.41 115.31 118.85 20gs h LEU 193 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 20gs h LEU 193 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 20gs h LEU 193 CO -0.15 0.00 -1.29 0.00 0.09 0.00 0.00 178.44 177.09 20gs n ALA 194 N -1.98 2.87 -1.26 1.53 0.00 -0.80 -4.37 120.51 116.50 20gs n ALA 194 Ca -0.02 -0.36 -0.33 0.00 0.00 0.00 0.00 53.44 52.72 20gs n ALA 194 Cb 0.11 -0.97 0.10 0.00 0.00 0.00 0.00 19.45 18.69 20gs n ALA 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 20gs s SER 195 N -4.69 4.19 0.27 0.00 1.04 0.13 -4.74 113.70 109.91 20gs s SER 195 Ca -0.01 2.19 -0.03 0.00 0.48 0.00 0.00 55.95 58.58 20gs s SER 195 Cb 0.12 -2.57 0.36 0.00 0.10 0.00 0.00 66.02 64.03 20gs s SER 195 CO 0.83 -2.26 1.84 -0.65 0.98 0.00 0.00 173.24 173.97 20gs h PRO 196 N -0.60 0.94 -1.02 4.02 0.11 -1.92 0.11 132.00 133.64 20gs h PRO 196 Ca -0.46 -0.17 0.24 0.00 0.11 0.00 0.00 66.00 65.73 20gs h PRO 196 Cb 1.27 -0.15 -0.11 0.00 0.11 0.00 0.00 31.00 32.12 20gs h PRO 196 CO 0.49 0.79 0.63 1.49 -0.21 0.00 0.00 178.00 181.19 20gs h GLU 197 N 0.92 0.52 0.00 1.05 4.81 -1.92 0.21 114.58 120.16 20gs h GLU 197 Ca 0.21 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 20gs h GLU 197 Cb 0.22 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 20gs h GLU 197 CO -0.01 0.34 -0.77 0.98 -0.73 0.00 0.00 179.01 178.82 20gs n TYR 198 N -4.76 0.44 -0.11 0.92 4.19 -1.02 -4.49 117.16 112.34 20gs n TYR 198 Ca 0.26 0.19 0.20 0.00 3.31 0.00 0.00 57.90 61.86 20gs n TYR 198 Cb 0.77 -0.63 0.61 0.00 0.49 0.00 0.00 39.34 40.58 20gs n TYR 198 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 20gs h VAL 199 N -1.00 0.72 -0.51 2.97 2.07 -0.75 -2.33 116.25 117.42 20gs h VAL 199 Ca -0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 20gs h VAL 199 Cb 0.77 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 20gs h VAL 199 CO -0.00 0.03 0.00 0.59 0.02 0.00 0.00 177.57 178.21 20gs n ASN 200 N -4.41 3.77 -4.77 0.57 3.02 0.72 -4.89 115.26 109.27 20gs n ASN 200 Ca 0.14 -2.33 -0.34 0.00 -0.03 0.00 0.00 54.58 52.02 20gs n ASN 200 Cb 0.64 -0.50 -0.07 0.00 -0.61 0.00 0.00 39.78 39.24 20gs n ASN 200 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 20gs s LEU 201 N -1.51 3.90 0.57 3.41 1.02 -0.88 -5.05 118.68 120.15 20gs s LEU 201 Ca 0.40 0.21 -0.16 0.00 0.02 0.00 0.00 54.13 54.60 20gs s LEU 201 Cb 0.25 -2.11 -0.05 0.00 0.02 0.00 0.00 46.19 44.31 20gs s LEU 201 CO 0.20 0.33 1.04 -2.16 0.02 0.00 0.00 176.35 175.78 20gs s PRO 202 N -1.36 3.45 0.04 1.29 0.04 -1.26 -4.76 135.00 132.43 20gs s PRO 202 Ca 0.19 1.17 -0.19 0.00 0.04 0.00 0.00 61.00 62.21 20gs s PRO 202 Cb -0.12 -2.05 -0.16 0.00 0.04 0.00 0.00 34.50 32.21 20gs s PRO 202 CO 0.09 -0.70 1.27 0.82 0.04 0.00 0.00 177.00 178.51 20gs h ILE 203 N 0.58 1.37 -1.77 0.56 2.04 -1.95 -0.62 117.51 117.72 20gs h ILE 203 Ca -0.47 -1.62 -0.60 0.00 1.00 0.00 0.00 64.86 63.18 20gs h ILE 203 Cb 1.21 2.08 -0.13 0.00 -0.74 0.00 0.00 36.82 39.24 20gs h ILE 203 CO 0.58 0.48 -0.58 0.20 0.00 0.00 0.00 178.15 178.83 20gs s ASN 204 N -6.43 3.51 0.01 1.72 0.02 -1.26 -1.04 114.94 111.46 20gs s ASN 204 Ca -0.13 -1.44 -0.26 0.00 -1.02 0.00 0.00 52.86 50.01 20gs s ASN 204 Cb 0.05 -0.11 -0.15 0.00 0.02 0.00 0.00 41.25 41.06 20gs s ASN 204 CO 0.79 -0.58 1.13 1.23 0.02 0.00 0.00 177.10 179.69 20gs h GLY 205 N 1.78 -0.80 0.34 0.66 0.00 -1.90 -3.18 103.07 99.96 20gs h GLY 205 Ca -0.43 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.20 20gs h GLY 205 CO 0.76 -0.29 0.00 1.16 0.00 0.00 0.00 176.54 178.17 20gs n ASN 206 N -5.31 0.00 0.00 0.19 0.23 -1.26 -4.81 115.26 104.30 20gs n ASN 206 Ca -0.11 -0.90 0.00 0.00 -0.53 0.00 0.00 54.58 53.05 20gs n ASN 206 Cb 0.33 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 20gs n ASN 206 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 20gs n GLY 207 N 0.05 0.63 3.78 4.83 0.00 -1.20 -5.00 105.19 108.28 20gs n GLY 207 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 20gs n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 20gs s LYS 208 N -0.27 4.31 0.00 1.61 1.02 -1.26 -4.96 119.74 120.18 20gs s LYS 208 Ca 0.00 0.79 0.00 0.00 0.02 0.00 0.00 55.97 56.78 20gs s LYS 208 Cb 0.00 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 20gs s LYS 208 CO 0.00 0.46 0.00 0.00 -0.92 0.00 0.00 175.35 174.89