#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4gss s TYR 3 N 0.00 2.94 -0.07 0.54 2.02 -1.26 -2.45 117.35 119.08 4gss s TYR 3 Ca 0.00 0.00 -0.03 0.00 -0.37 0.00 0.00 57.07 56.67 4gss s TYR 3 Cb 0.00 -1.64 0.04 0.00 -0.40 0.00 0.00 41.96 39.96 4gss s TYR 3 CO 0.00 0.39 0.14 0.99 -1.57 0.00 0.00 175.55 175.50 4gss s THR 4 N -0.99 -0.11 -0.15 -0.71 2.01 -0.51 -0.57 115.64 114.61 4gss s THR 4 Ca 0.17 0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.39 4gss s THR 4 Cb -0.11 -0.24 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 4gss s THR 4 CO 0.07 0.10 -0.11 0.68 -0.69 0.00 0.00 174.62 174.67 4gss s VAL 5 N 1.48 3.22 -0.27 3.82 -7.23 -0.20 -0.89 120.40 120.32 4gss s VAL 5 Ca -0.06 -0.60 -0.05 0.00 -1.81 0.00 0.00 61.98 59.47 4gss s VAL 5 Cb -0.12 -2.37 0.01 0.00 0.56 0.00 0.00 36.38 34.46 4gss s VAL 5 CO -0.06 0.51 0.03 -0.69 -0.31 0.00 0.00 175.10 174.58 4gss s VAL 6 N 0.49 3.66 0.27 1.32 1.01 0.29 -0.93 120.40 126.50 4gss s VAL 6 Ca -0.08 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 60.99 4gss s VAL 6 Cb -0.15 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.41 4gss s VAL 6 CO 0.04 0.17 0.70 -0.47 0.00 0.00 0.00 175.10 175.54 4gss s TYR 7 N 1.46 -0.16 0.87 5.22 5.04 -0.89 -1.44 117.35 127.46 4gss s TYR 7 Ca 0.03 -0.29 -0.12 0.00 -2.44 0.00 0.00 57.07 54.25 4gss s TYR 7 Cb -0.17 0.67 0.11 0.00 0.35 0.00 0.00 41.96 42.93 4gss s TYR 7 CO 0.00 -1.21 1.10 -0.06 -1.34 0.00 0.00 175.55 174.04 4gss s PHE 8 N -3.92 2.49 -1.25 4.97 0.08 -1.26 -0.92 117.98 118.17 4gss s PHE 8 Ca 0.12 1.17 -0.08 0.00 0.12 0.00 0.00 56.93 58.25 4gss s PHE 8 Cb -0.06 -3.17 -0.09 0.00 -0.57 0.00 0.00 43.02 39.13 4gss s PHE 8 CO 0.07 -2.21 2.76 -0.35 -0.10 0.00 0.00 175.22 175.38 4gss n PRO 9 N -3.74 3.04 -4.10 0.24 -0.04 -1.26 -4.77 135.00 124.38 4gss n PRO 9 Ca 0.07 -1.85 -0.09 0.00 -0.04 0.00 0.00 63.50 61.59 4gss n PRO 9 Cb 0.56 -2.61 -0.10 0.00 -0.04 0.00 0.00 33.50 31.32 4gss n PRO 9 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 4gss s VAL 10 N 2.42 0.13 -0.06 0.52 -7.23 -1.26 -4.27 120.40 110.64 4gss s VAL 10 Ca 0.60 -1.81 -0.10 0.00 -1.81 0.00 0.00 61.98 58.86 4gss s VAL 10 Cb 0.17 -1.85 -0.06 0.00 0.56 0.00 0.00 36.38 35.20 4gss s VAL 10 CO -0.05 -0.61 0.42 0.03 -0.31 0.00 0.00 175.10 174.58 4gss h ARG 11 N 2.92 -0.29 0.00 4.82 3.08 -1.17 -3.46 114.38 120.28 4gss h ARG 11 Ca -0.34 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.73 4gss h ARG 11 Cb 1.18 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.30 4gss h ARG 11 CO 0.60 -0.13 0.00 0.41 -1.07 0.00 0.00 179.97 179.78 4gss n GLY 12 N 0.97 1.97 0.00 0.04 0.00 0.59 -1.03 105.19 107.73 4gss n GLY 12 Ca -0.04 0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.06 4gss n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4gss n ARG 13 N 10.89 0.87 -0.00 1.61 1.74 -1.26 -3.08 116.66 127.42 4gss n ARG 13 Ca 0.00 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 4gss n ARG 13 Cb 0.00 -1.18 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 4gss n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 4gss h ALA 15 N 1.38 0.28 -0.24 0.00 0.00 -1.28 -1.37 119.26 118.04 4gss h ALA 15 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 4gss h ALA 15 Cb 0.28 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 4gss h ALA 15 CO 0.00 -0.44 0.11 0.00 0.00 0.00 0.00 179.25 178.92 4gss h ALA 16 N 1.37 0.31 -0.02 0.00 0.00 -1.83 -1.46 119.26 117.63 4gss h ALA 16 Ca 0.19 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 4gss h ALA 16 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 4gss h ALA 16 CO -0.38 -0.13 -0.44 1.37 0.00 0.00 0.00 179.25 179.67 4gss h LEU 17 N 0.25 0.04 -0.31 0.00 8.10 -1.81 -1.22 115.31 120.36 4gss h LEU 17 Ca 0.08 -0.02 -0.08 0.00 0.11 0.00 0.00 57.88 57.98 4gss h LEU 17 Cb 0.12 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.32 4gss h LEU 17 CO -0.01 0.47 -0.11 0.03 -4.11 0.00 0.00 178.44 174.72 4gss h ARG 18 N 0.03 0.63 -0.86 0.17 3.08 -1.02 -0.40 114.38 116.01 4gss h ARG 18 Ca -0.00 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 4gss h ARG 18 Cb 0.79 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.77 4gss h ARG 18 CO 0.06 0.82 0.53 0.52 -1.07 0.00 0.00 179.97 180.84 4gss h MET 19 N 0.39 1.15 0.17 0.04 2.86 -0.95 -0.48 114.93 118.10 4gss h MET 19 Ca 0.08 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 4gss h MET 19 Cb 0.61 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.03 4gss h MET 19 CO 0.04 0.79 -0.08 1.25 1.06 0.00 0.00 176.91 179.97 4gss h LEU 20 N 1.17 -0.19 -0.58 1.22 6.46 -0.96 -0.84 115.31 121.59 4gss h LEU 20 Ca 0.31 -0.01 0.04 0.00 -0.12 0.00 0.00 57.88 58.09 4gss h LEU 20 Cb -0.08 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 39.86 4gss h LEU 20 CO -0.06 -0.11 0.34 -0.07 -0.62 0.00 0.00 178.44 177.91 4gss h LEU 21 N -0.25 0.53 0.18 2.25 3.38 -0.67 -1.99 115.31 118.75 4gss h LEU 21 Ca -0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 4gss h LEU 21 Cb 0.19 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.85 4gss h LEU 21 CO 0.04 0.36 -0.09 0.00 0.09 0.00 0.00 178.44 178.84 4gss h ALA 22 N 1.28 -0.25 -0.21 1.53 0.00 -0.94 0.41 119.26 121.08 4gss h ALA 22 Ca 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 4gss h ALA 22 Cb 0.08 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 4gss h ALA 22 CO -0.13 -0.57 0.10 0.22 0.00 0.00 0.00 179.25 178.88 4gss h ASP 23 N -0.39 0.25 -0.11 0.00 3.58 -1.05 -0.71 116.42 117.99 4gss h ASP 23 Ca -0.03 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.41 4gss h ASP 23 Cb 0.30 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.29 4gss h ASP 23 CO 0.04 0.22 0.00 0.00 -2.88 0.00 0.00 179.24 176.62 4gss n GLN 24 N -4.47 1.46 -3.19 0.28 1.13 -0.76 -4.87 117.38 106.97 4gss n GLN 24 Ca 0.00 -0.69 -0.18 0.00 -1.94 0.00 0.00 57.00 54.19 4gss n GLN 24 Cb 0.10 -1.35 0.05 0.00 0.11 0.00 0.00 30.24 29.15 4gss n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 4gss n GLY 25 N 1.00 -0.22 3.89 1.08 0.00 -0.27 -5.01 105.19 105.66 4gss n GLY 25 Ca 0.15 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 4gss n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 4gss s GLN 26 N -5.84 3.38 -0.11 1.61 -1.52 0.11 -5.04 119.66 112.25 4gss s GLN 26 Ca 0.39 -0.38 -0.10 0.00 -1.95 0.00 0.00 55.36 53.31 4gss s GLN 26 Cb -0.17 -3.04 -0.05 0.00 -0.22 0.00 0.00 33.01 29.53 4gss s GLN 26 CO 0.48 0.65 0.23 -1.12 -0.25 0.00 0.00 175.29 175.28 4gss s SER 27 N -2.09 6.47 0.08 5.90 0.01 -1.26 -4.54 113.70 118.28 4gss s SER 27 Ca 0.29 0.56 -0.09 0.00 1.31 0.00 0.00 55.95 58.02 4gss s SER 27 Cb -0.13 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 63.97 4gss s SER 27 CO 0.21 0.31 0.20 -1.66 0.41 0.00 0.00 173.24 172.72 4gss s TRP 28 N -0.64 0.11 -0.02 2.43 -2.14 -1.26 -4.04 118.94 113.39 4gss s TRP 28 Ca 0.16 -0.51 0.00 0.00 2.66 0.00 0.00 56.10 58.42 4gss s TRP 28 Cb -0.13 -0.03 -0.04 0.00 -3.10 0.00 0.00 33.47 30.17 4gss s TRP 28 CO 0.05 -0.54 0.01 0.21 -2.66 0.00 0.00 176.95 174.02 4gss s LYS 29 N -3.69 2.87 -0.21 3.25 2.47 0.26 -4.98 119.74 119.70 4gss s LYS 29 Ca 0.04 -0.54 -0.05 0.00 -1.56 0.00 0.00 55.97 53.86 4gss s LYS 29 Cb 0.04 -2.72 -0.02 0.00 -1.46 0.00 0.00 37.83 33.67 4gss s LYS 29 CO -0.10 0.65 -0.01 -1.21 0.16 0.00 0.00 175.35 174.83 4gss s GLU 30 N -1.40 3.52 -0.40 4.03 0.41 -1.26 -1.04 118.70 122.56 4gss s GLU 30 Ca 0.18 -0.56 -0.06 0.00 -0.41 0.00 0.00 54.97 54.12 4gss s GLU 30 Cb -0.12 -3.06 0.08 0.00 -1.78 0.00 0.00 34.13 29.25 4gss s GLU 30 CO 0.09 -0.09 0.21 -1.21 -0.49 0.00 0.00 175.26 173.76 4gss s GLU 31 N 1.24 2.40 -0.08 1.61 0.41 -0.11 -4.98 118.70 119.20 4gss s GLU 31 Ca 0.03 -1.54 -0.29 0.00 -0.41 0.00 0.00 54.97 52.76 4gss s GLU 31 Cb -0.15 -3.63 -0.02 0.00 -1.78 0.00 0.00 34.13 28.55 4gss s GLU 31 CO 0.00 -0.94 0.96 0.08 -0.49 0.00 0.00 175.26 174.87 4gss s VAL 32 N 1.31 4.84 -0.25 2.63 1.01 -1.26 -2.09 120.40 126.59 4gss s VAL 32 Ca 0.03 1.97 -0.06 0.00 0.00 0.00 0.00 61.98 63.92 4gss s VAL 32 Cb -0.23 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 4gss s VAL 32 CO -0.00 0.07 0.04 -0.69 0.00 0.00 0.00 175.10 174.52 4gss s VAL 33 N 1.64 3.98 0.36 2.92 1.01 -0.10 -4.95 120.40 125.27 4gss s VAL 33 Ca 0.48 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 4gss s VAL 33 Cb -0.19 -2.90 -0.06 0.00 0.00 0.00 0.00 36.38 33.24 4gss s VAL 33 CO 0.21 0.30 0.68 0.42 0.00 0.00 0.00 175.10 176.70 4gss s THR 34 N 1.55 4.89 0.34 3.92 -4.23 -1.26 -4.00 115.64 116.86 4gss s THR 34 Ca 0.05 0.37 0.09 0.00 -1.18 0.00 0.00 61.69 61.03 4gss s THR 34 Cb -0.15 -3.74 0.33 0.00 1.34 0.00 0.00 72.50 70.28 4gss s THR 34 CO 0.02 -0.44 1.82 0.58 -0.54 0.00 0.00 174.62 176.05 4gss h VAL 35 N 1.18 0.75 -0.03 2.29 2.07 -1.98 -0.10 116.25 120.42 4gss h VAL 35 Ca -0.47 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 4gss h VAL 35 Cb 1.19 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 4gss h VAL 35 CO 0.65 0.12 0.01 -0.33 0.02 0.00 0.00 177.57 178.04 4gss h GLU 36 N 0.68 0.04 -0.64 1.57 5.08 -1.97 0.12 114.58 119.46 4gss h GLU 36 Ca 0.52 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.88 4gss h GLU 36 Cb 0.90 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 4gss h GLU 36 CO -0.28 0.14 0.42 1.15 -1.00 0.00 0.00 179.01 179.44 4gss h THR 37 N -0.07 1.15 -0.11 1.13 2.02 -1.63 -2.64 112.91 112.76 4gss h THR 37 Ca 0.01 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 4gss h THR 37 Cb 0.12 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 4gss h THR 37 CO -0.00 0.15 0.05 -0.25 0.37 0.00 0.00 175.52 175.85 4gss h TRP 38 N 0.84 0.16 0.00 3.16 2.91 -0.78 -2.38 115.95 119.87 4gss h TRP 38 Ca 0.24 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.25 4gss h TRP 38 Cb -0.08 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 28.53 4gss h TRP 38 CO -0.03 0.21 0.00 1.04 -1.03 0.00 0.00 178.44 178.63 4gss n GLN 39 N -4.94 0.19 0.11 2.65 6.02 0.38 -1.43 117.38 120.37 4gss n GLN 39 Ca -0.05 0.13 -0.02 0.00 -0.01 0.00 0.00 57.00 57.05 4gss n GLN 39 Cb 0.09 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 29.91 4gss n GLN 39 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 4gss h GLU 40 N 0.00 0.00 0.00 -1.09 4.22 -1.06 -3.48 114.58 113.16 4gss h GLU 40 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 4gss h GLU 40 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 4gss h GLU 40 CO 0.00 0.73 0.00 0.41 -2.18 0.00 0.00 179.01 177.97 4gss n GLY 41 N 0.79 2.96 0.19 1.92 0.00 -0.52 -4.94 105.19 105.60 4gss n GLY 41 Ca -0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 4gss n GLY 41 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 4gss h SER 42 N 0.00 0.18 -0.22 1.61 4.64 -1.85 -1.93 113.55 115.97 4gss h SER 42 Ca 0.00 0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.34 4gss h SER 42 Cb 0.00 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 4gss h SER 42 CO 0.00 0.13 0.00 0.25 -0.87 0.00 0.00 176.83 176.35 4gss h LEU 43 N 0.34 0.39 -0.60 5.97 6.46 -1.88 -2.64 115.31 123.35 4gss h LEU 43 Ca 0.22 -0.31 0.11 0.00 -0.12 0.00 0.00 57.88 57.78 4gss h LEU 43 Cb 0.21 -0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 39.95 4gss h LEU 43 CO -0.22 0.60 0.15 0.50 -0.62 0.00 0.00 178.44 178.85 4gss h LYS 44 N 0.16 0.28 -0.75 1.25 3.64 -1.77 -1.70 116.57 117.68 4gss h LYS 44 Ca 0.06 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 4gss h LYS 44 Cb 0.40 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 4gss h LYS 44 CO 0.01 0.18 0.45 0.00 -2.27 0.00 0.00 179.45 177.82 4gss h ALA 45 N 1.47 0.96 0.00 5.00 0.00 -1.26 -2.50 119.26 122.93 4gss h ALA 45 Ca 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.13 4gss h ALA 45 Cb 0.46 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.95 4gss h ALA 45 CO -0.39 0.44 0.00 0.66 0.00 0.00 0.00 179.25 179.96 4gss h SER 46 N 1.03 0.00 -3.28 0.00 4.64 -0.96 -3.43 113.55 111.55 4gss h SER 46 Ca 0.27 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.03 4gss h SER 46 Cb -0.02 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 4gss h SER 46 CO -0.05 0.00 0.53 0.00 -0.87 0.00 0.00 176.83 176.44 4gss n LEU 48 N 4.85 -0.77 -1.63 0.00 7.94 -1.26 -0.24 117.00 125.87 4gss n LEU 48 Ca 0.08 1.72 -0.05 0.00 -1.11 0.00 0.00 56.01 56.65 4gss n LEU 48 Cb 0.49 -0.34 0.26 0.00 0.53 0.00 0.00 43.42 44.36 4gss n LEU 48 CO 0.52 -1.50 0.93 -1.22 -1.11 0.00 0.00 177.39 175.02 4gss n TYR 49 N -5.37 1.95 -2.32 1.96 4.01 -1.26 -4.92 117.16 111.21 4gss n TYR 49 Ca 0.07 -1.33 -0.18 0.00 -0.16 0.00 0.00 57.90 56.30 4gss n TYR 49 Cb 0.35 -0.61 -0.02 0.00 -0.31 0.00 0.00 39.34 38.75 4gss n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 4gss n GLY 50 N -0.59 -0.26 3.36 2.72 0.00 0.66 -4.95 105.19 106.12 4gss n GLY 50 Ca 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.30 4gss n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 4gss s GLN 51 N -4.87 1.29 0.34 1.61 -0.21 -1.26 -4.89 119.66 111.66 4gss s GLN 51 Ca 0.00 -1.38 0.09 0.00 0.02 0.00 0.00 55.36 54.09 4gss s GLN 51 Cb 0.00 0.36 -0.05 0.00 1.00 0.00 0.00 33.01 34.32 4gss s GLN 51 CO 0.00 -0.47 0.01 -0.51 -2.12 0.00 0.00 175.29 172.20 4gss s LEU 52 N -3.06 2.97 0.60 2.90 1.43 -1.26 -4.68 118.68 117.59 4gss s LEU 52 Ca 0.27 -1.01 -0.18 0.00 -1.03 0.00 0.00 54.13 52.18 4gss s LEU 52 Cb 0.04 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 4gss s LEU 52 CO 0.07 -0.25 1.17 -2.16 0.23 0.00 0.00 176.35 175.42 4gss s PRO 53 N -3.72 2.97 0.03 1.29 0.04 -1.26 -4.98 135.00 129.37 4gss s PRO 53 Ca 0.35 1.70 0.08 0.00 0.04 0.00 0.00 61.00 63.17 4gss s PRO 53 Cb 0.00 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 4gss s PRO 53 CO 0.19 -1.18 -0.24 0.21 0.04 0.00 0.00 177.00 176.02 4gss s LYS 54 N -3.48 1.95 0.02 4.56 2.20 -0.52 -3.91 119.74 120.56 4gss s LYS 54 Ca 0.74 -1.03 0.02 0.00 -0.36 0.00 0.00 55.97 55.35 4gss s LYS 54 Cb -0.27 -2.05 -0.02 0.00 -1.51 0.00 0.00 37.83 33.98 4gss s LYS 54 CO 0.34 0.53 -0.07 0.12 -0.36 0.00 0.00 175.35 175.91 4gss s PHE 55 N -0.79 0.65 -0.06 4.03 5.36 -0.29 -0.55 117.98 126.33 4gss s PHE 55 Ca 0.12 -0.33 0.01 0.00 -0.96 0.00 0.00 56.93 55.78 4gss s PHE 55 Cb -0.10 -0.40 0.02 0.00 -0.34 0.00 0.00 43.02 42.20 4gss s PHE 55 CO 0.02 -0.04 -0.09 -0.65 -1.46 0.00 0.00 175.22 173.00 4gss s GLN 56 N -0.98 1.37 -0.37 10.12 -0.21 -0.07 -0.22 119.66 129.30 4gss s GLN 56 Ca -0.04 -0.28 0.02 0.00 0.02 0.00 0.00 55.36 55.07 4gss s GLN 56 Cb -0.07 -1.23 0.11 0.00 1.00 0.00 0.00 33.01 32.83 4gss s GLN 56 CO 0.00 -0.05 0.14 0.34 -2.12 0.00 0.00 175.29 173.60 4gss s ASP 57 N 0.89 4.14 1.40 5.90 -1.08 0.13 -1.43 116.67 126.63 4gss s ASP 57 Ca -0.11 -2.16 0.00 0.00 -0.52 0.00 0.00 52.55 49.76 4gss s ASP 57 Cb -0.15 -1.18 0.00 0.00 -1.46 0.00 0.00 42.92 40.14 4gss s ASP 57 CO 0.01 -0.35 0.00 0.61 0.52 0.00 0.00 175.17 175.96 4gss n GLY 58 N 4.19 2.13 1.32 2.66 0.00 -1.03 -1.17 105.19 113.30 4gss n GLY 58 Ca 0.03 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.73 4gss n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 4gss n ASP 59 N 5.24 3.89 -4.57 1.61 5.75 -1.26 -4.82 116.55 122.39 4gss n ASP 59 Ca 0.00 -2.34 -0.41 0.00 -0.01 0.00 0.00 54.79 52.03 4gss n ASP 59 Cb 0.00 -0.51 -0.08 0.00 -1.03 0.00 0.00 41.12 39.50 4gss n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 4gss s LEU 60 N -1.55 4.29 -0.27 -2.12 0.20 -0.32 -5.04 118.68 113.87 4gss s LEU 60 Ca 0.41 0.07 -0.08 0.00 0.69 0.00 0.00 54.13 55.22 4gss s LEU 60 Cb 0.26 -2.60 -0.02 0.00 -0.43 0.00 0.00 46.19 43.41 4gss s LEU 60 CO 0.20 -0.45 0.09 -0.89 -0.29 0.00 0.00 176.35 175.01 4gss s THR 61 N 2.38 4.33 0.26 3.68 2.01 -1.26 -0.69 115.64 126.35 4gss s THR 61 Ca 0.19 -0.29 0.09 0.00 0.31 0.00 0.00 61.69 62.00 4gss s THR 61 Cb -0.15 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 4gss s THR 61 CO 0.13 0.25 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.54 4gss s LEU 62 N 1.60 3.19 0.09 4.42 1.02 0.70 -4.98 118.68 124.73 4gss s LEU 62 Ca 0.06 -0.63 -0.00 0.00 0.02 0.00 0.00 54.13 53.57 4gss s LEU 62 Cb -0.16 -1.72 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 4gss s LEU 62 CO 0.04 0.01 -0.01 -0.31 0.02 0.00 0.00 176.35 176.10 4gss s TYR 63 N -2.28 0.77 0.00 0.29 2.02 -1.26 -1.13 117.35 115.76 4gss s TYR 63 Ca 0.31 -1.07 0.00 0.00 -0.37 0.00 0.00 57.07 55.94 4gss s TYR 63 Cb -0.07 -0.48 0.00 0.00 -0.40 0.00 0.00 41.96 41.02 4gss s TYR 63 CO 0.20 -0.35 0.00 1.04 -1.57 0.00 0.00 175.55 174.87 4gss n GLN 64 N -0.02 0.00 -0.22 -0.62 1.13 -1.25 -4.59 117.38 111.81 4gss n GLN 64 Ca -0.11 0.46 0.03 0.00 -1.94 0.00 0.00 57.00 55.44 4gss n GLN 64 Cb 0.62 -0.35 0.13 0.00 0.11 0.00 0.00 30.24 30.74 4gss n GLN 64 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 4gss h SER 65 N 0.00 -0.19 0.50 1.08 4.64 -1.89 -0.11 113.55 117.58 4gss h SER 65 Ca 0.00 0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.42 4gss h SER 65 Cb 0.00 0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 4gss h SER 65 CO 0.00 -0.10 -0.27 0.78 -0.87 0.00 0.00 176.83 176.37 4gss h ASN 66 N 0.16 0.00 -0.31 4.97 2.35 -1.92 -1.15 115.58 119.68 4gss h ASN 66 Ca 0.36 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.96 4gss h ASN 66 Cb 0.59 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 4gss h ASN 66 CO -0.53 0.27 -0.35 0.74 -1.65 0.00 0.00 177.43 175.91 4gss h THR 67 N 0.00 1.28 -0.38 2.81 2.02 -1.29 0.16 112.91 117.50 4gss h THR 67 Ca -0.00 -1.52 -0.07 0.00 0.77 0.00 0.00 66.41 65.59 4gss h THR 67 Cb 0.60 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 4gss h THR 67 CO 0.04 0.50 -0.03 0.40 0.37 0.00 0.00 175.52 176.80 4gss h ILE 68 N 0.70 1.27 -0.31 3.11 2.04 -0.76 -0.46 117.51 123.10 4gss h ILE 68 Ca 0.07 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 4gss h ILE 68 Cb 0.92 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 4gss h ILE 68 CO 0.08 0.36 0.19 -0.07 0.00 0.00 0.00 178.15 178.71 4gss h LEU 69 N 0.51 0.38 -0.96 1.44 3.38 -1.08 -0.62 115.31 118.37 4gss h LEU 69 Ca 0.10 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 4gss h LEU 69 Cb 0.52 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 4gss h LEU 69 CO 0.03 0.32 -0.08 0.03 0.09 0.00 0.00 178.44 178.83 4gss h ARG 70 N 0.40 0.66 0.32 1.13 3.08 -0.88 0.96 114.38 120.05 4gss h ARG 70 Ca 0.11 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 4gss h ARG 70 Cb 0.02 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.00 4gss h ARG 70 CO -0.02 0.74 -0.15 1.25 -1.07 0.00 0.00 179.97 180.71 4gss h HIS 71 N 0.61 -0.40 -0.57 3.04 2.76 -0.63 0.34 115.15 120.30 4gss h HIS 71 Ca 0.11 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.29 4gss h HIS 71 Cb 0.51 0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.56 4gss h HIS 71 CO 0.02 -0.15 0.36 -0.07 -1.30 0.00 0.00 177.93 176.79 4gss h LEU 72 N -0.58 0.59 -0.93 0.26 -0.00 -1.04 0.95 115.31 114.56 4gss h LEU 72 Ca -0.04 -0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.89 4gss h LEU 72 Cb 0.43 -0.13 -0.06 0.00 -0.00 0.00 0.00 40.66 40.89 4gss h LEU 72 CO 0.07 0.42 0.59 1.23 -0.00 0.00 0.00 178.44 180.75 4gss h GLY 73 N 0.71 1.40 0.51 0.83 0.00 -0.57 0.34 103.07 106.30 4gss h GLY 73 Ca 0.22 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 4gss h GLY 73 CO -0.08 0.30 -0.05 -0.09 0.00 0.00 0.00 176.54 176.62 4gss h ARG 74 N 1.08 0.09 -0.13 4.80 2.43 0.35 0.32 114.38 123.32 4gss h ARG 74 Ca 0.40 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.37 4gss h ARG 74 Cb 0.16 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 4gss h ARG 74 CO -0.17 0.62 -0.56 1.79 -1.51 0.00 0.00 179.97 180.15 4gss h THR 75 N -0.43 1.35 -0.08 0.20 1.35 -0.59 -3.20 112.91 111.50 4gss h THR 75 Ca 0.00 -1.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 4gss h THR 75 Cb 0.62 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 4gss h THR 75 CO 0.01 0.56 0.00 0.18 -0.25 0.00 0.00 175.52 176.02 4gss n LEU 76 N -3.93 2.22 -1.83 3.87 4.32 0.12 -4.98 117.00 116.78 4gss n LEU 76 Ca -0.03 -0.80 -0.09 0.00 -0.02 0.00 0.00 56.01 55.08 4gss n LEU 76 Cb 0.59 -0.04 0.03 0.00 -1.62 0.00 0.00 43.42 42.39 4gss n LEU 76 CO 0.45 0.40 0.08 0.61 -1.22 0.00 0.00 177.39 177.71 4gss n GLY 77 N 1.26 0.27 2.42 -0.72 0.00 -0.89 -4.97 105.19 102.55 4gss n GLY 77 Ca 0.17 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 4gss n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 4gss n LEU 78 N -2.29 4.26 -2.62 0.99 4.77 0.11 -4.79 117.00 117.43 4gss n LEU 78 Ca -0.04 -4.86 -0.07 0.00 -0.03 0.00 0.00 56.01 51.01 4gss n LEU 78 Cb 0.54 -0.30 0.04 0.00 -2.33 0.00 0.00 43.42 41.37 4gss n LEU 78 CO 0.26 2.09 0.03 0.00 -1.33 0.00 0.00 177.39 178.43 4gss n TYR 79 N -0.49 1.67 0.00 -1.77 4.19 -1.23 -1.48 117.16 118.06 4gss n TYR 79 Ca 0.35 -2.25 0.00 0.00 3.31 0.00 0.00 57.90 59.31 4gss n TYR 79 Cb 0.75 -0.26 0.00 0.00 0.49 0.00 0.00 39.34 40.32 4gss n TYR 79 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 4gss n GLY 80 N -0.57 -2.10 0.10 2.98 0.00 -1.26 -3.90 105.19 100.44 4gss n GLY 80 Ca 0.17 -1.50 0.12 0.00 0.00 0.00 0.00 46.02 44.81 4gss n GLY 80 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 4gss h LYS 81 N 0.00 0.00 -3.89 1.61 2.10 -1.96 -3.46 116.57 110.97 4gss h LYS 81 Ca 0.00 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.41 4gss h LYS 81 Cb 0.00 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.27 4gss h LYS 81 CO 0.00 0.00 -0.08 0.16 -2.00 0.00 0.00 179.45 177.53 4gss s ASP 82 N -5.08 0.83 0.26 7.07 1.47 -1.26 -5.05 116.67 114.91 4gss s ASP 82 Ca 0.01 -1.47 -0.05 0.00 1.18 0.00 0.00 52.55 52.23 4gss s ASP 82 Cb 0.10 0.72 0.32 0.00 -0.34 0.00 0.00 42.92 43.72 4gss s ASP 82 CO 0.77 -1.42 1.93 1.56 0.68 0.00 0.00 175.17 178.69 4gss h GLN 83 N 2.06 1.26 -0.15 2.11 4.20 -1.93 -1.14 115.11 121.51 4gss h GLN 83 Ca -0.29 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.34 4gss h GLN 83 Cb 1.24 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 4gss h GLN 83 CO 0.39 0.83 0.10 0.37 -0.67 0.00 0.00 178.83 179.85 4gss h GLN 84 N 1.30 0.20 -0.63 1.46 4.15 -1.98 -1.32 115.11 118.30 4gss h GLN 84 Ca 0.36 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.69 4gss h GLN 84 Cb -0.11 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 4gss h GLN 84 CO -0.09 0.14 0.08 0.93 -1.93 0.00 0.00 178.83 177.97 4gss h GLU 85 N 0.20 1.05 -0.87 1.69 5.08 -1.85 -2.24 114.58 117.64 4gss h GLU 85 Ca 0.06 -0.29 0.12 0.00 -1.00 0.00 0.00 59.36 58.24 4gss h GLU 85 Cb -0.01 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.06 4gss h GLU 85 CO -0.01 0.99 0.56 0.00 -1.00 0.00 0.00 179.01 179.55 4gss h ALA 86 N 1.02 1.75 -0.32 3.43 0.00 -0.86 0.22 119.26 124.51 4gss h ALA 86 Ca 0.19 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 4gss h ALA 86 Cb 0.46 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 4gss h ALA 86 CO 0.02 0.04 -0.47 0.00 0.00 0.00 0.00 179.25 178.84 4gss h ALA 87 N 1.58 0.56 -0.07 0.00 0.00 -0.77 -2.29 119.26 118.27 4gss h ALA 87 Ca 0.42 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 4gss h ALA 87 Cb 0.55 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 4gss h ALA 87 CO -0.18 0.68 -0.46 -0.07 0.00 0.00 0.00 179.25 179.22 4gss h LEU 88 N 0.68 0.18 -0.61 0.00 3.38 -0.53 -1.26 115.31 117.15 4gss h LEU 88 Ca 0.03 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 4gss h LEU 88 Cb 1.07 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 4gss h LEU 88 CO 0.11 0.62 0.05 0.58 0.09 0.00 0.00 178.44 179.89 4gss h VAL 89 N 0.14 1.26 -0.29 1.22 2.07 -0.49 -1.92 116.25 118.24 4gss h VAL 89 Ca 0.01 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 4gss h VAL 89 Cb 0.86 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 4gss h VAL 89 CO 0.07 0.40 0.03 0.44 0.02 0.00 0.00 177.57 178.52 4gss h ASP 90 N 0.95 0.48 -0.99 0.57 3.32 -1.11 -1.70 116.42 117.95 4gss h ASP 90 Ca 0.18 -0.28 0.10 0.00 0.02 0.00 0.00 57.03 57.05 4gss h ASP 90 Cb 0.50 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.84 4gss h ASP 90 CO 0.02 0.64 0.63 -0.03 -1.72 0.00 0.00 179.24 178.78 4gss h MET 91 N 0.30 1.01 0.00 3.56 4.05 -1.00 0.11 114.93 122.96 4gss h MET 91 Ca 0.09 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 4gss h MET 91 Cb 0.38 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 4gss h MET 91 CO 0.01 0.67 -0.00 0.28 0.23 0.00 0.00 176.91 178.10 4gss h VAL 92 N 1.04 1.39 -0.79 -5.77 2.07 -1.22 -2.70 116.25 110.28 4gss h VAL 92 Ca 0.46 -1.15 0.04 0.00 0.82 0.00 0.00 66.70 66.87 4gss h VAL 92 Cb 0.36 2.17 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 4gss h VAL 92 CO -0.22 0.30 0.49 -1.13 0.02 0.00 0.00 177.57 177.03 4gss h ASN 93 N -0.49 0.80 -0.89 0.57 -1.24 -0.79 0.46 115.58 113.99 4gss h ASN 93 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 4gss h ASN 93 Cb 0.49 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 39.33 4gss h ASN 93 CO 0.00 0.54 0.56 0.44 -1.29 0.00 0.00 177.43 177.68 4gss h ASP 94 N 0.95 1.05 -0.50 1.15 5.19 -0.85 0.15 116.42 123.56 4gss h ASP 94 Ca 0.32 -0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.62 4gss h ASP 94 Cb 0.06 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.28 4gss h ASP 94 CO -0.13 0.79 0.05 1.23 -3.12 0.00 0.00 179.24 178.07 4gss h GLY 95 N 1.22 0.91 0.99 2.75 0.00 -0.98 -1.47 103.07 106.50 4gss h GLY 95 Ca 0.32 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 47.02 4gss h GLY 95 CO -0.06 0.58 0.24 -2.08 0.00 0.00 0.00 176.54 175.22 4gss h VAL 96 N 0.72 1.12 -0.74 4.60 2.07 -0.32 -2.65 116.25 121.05 4gss h VAL 96 Ca 0.15 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.48 4gss h VAL 96 Cb 0.44 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 4gss h VAL 96 CO 0.01 0.11 0.44 -0.08 0.02 0.00 0.00 177.57 178.08 4gss h GLU 97 N 0.51 0.80 -0.08 1.57 4.57 -0.49 -0.20 114.58 121.26 4gss h GLU 97 Ca 0.14 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 4gss h GLU 97 Cb -0.02 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 4gss h GLU 97 CO -0.03 0.53 0.04 -0.44 -1.18 0.00 0.00 179.01 177.93 4gss h ASP 98 N 0.82 0.06 0.19 1.04 5.19 -0.98 -1.77 116.42 120.96 4gss h ASP 98 Ca 0.32 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.65 4gss h ASP 98 Cb 0.14 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 4gss h ASP 98 CO -0.16 0.05 -0.31 0.25 -3.12 0.00 0.00 179.24 175.95 4gss h LEU 99 N 0.09 0.20 -0.91 1.55 5.85 -1.16 -2.63 115.31 118.30 4gss h LEU 99 Ca 0.03 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 4gss h LEU 99 Cb -0.00 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 4gss h LEU 99 CO -0.02 0.51 -0.06 -0.09 -0.34 0.00 0.00 178.44 178.44 4gss h ARG 100 N 0.18 0.73 -0.61 1.25 2.43 -0.71 -1.54 114.38 116.11 4gss h ARG 100 Ca 0.02 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 58.95 4gss h ARG 100 Cb 0.65 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 4gss h ARG 100 CO 0.05 0.78 0.26 0.00 -1.51 0.00 0.00 179.97 179.56 4gss h LYS 102 N 0.84 1.05 0.04 0.00 1.57 -1.33 0.12 116.57 118.86 4gss h LYS 102 Ca 0.21 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 4gss h LYS 102 Cb 0.17 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.39 4gss h LYS 102 CO -0.02 1.06 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.98 4gss h TYR 103 N 0.94 -0.04 -0.59 -1.35 3.20 -0.93 -0.16 116.97 118.04 4gss h TYR 103 Ca 0.16 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 4gss h TYR 103 Cb 0.61 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 4gss h TYR 103 CO 0.04 0.00 0.32 0.82 -1.64 0.00 0.00 178.16 177.71 4gss h ILE 104 N -0.08 1.18 -0.30 1.81 2.04 -0.57 -0.60 117.51 120.99 4gss h ILE 104 Ca -0.00 -0.45 -0.14 0.00 1.00 0.00 0.00 64.86 65.27 4gss h ILE 104 Cb 0.07 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 4gss h ILE 104 CO 0.01 0.20 -0.37 -1.28 0.00 0.00 0.00 178.15 176.71 4gss h SER 105 N 0.82 0.74 0.30 1.72 0.87 -0.58 -1.26 113.55 116.15 4gss h SER 105 Ca 0.21 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 4gss h SER 105 Cb 0.02 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 4gss h SER 105 CO -0.03 1.03 -0.14 0.25 -0.53 0.00 0.00 176.83 177.40 4gss h LEU 106 N 0.58 -0.34 -0.57 2.23 5.85 -0.45 0.36 115.31 122.98 4gss h LEU 106 Ca 0.05 -0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.70 4gss h LEU 106 Cb 0.90 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.93 4gss h LEU 106 CO 0.08 0.03 0.11 0.40 -0.34 0.00 0.00 178.44 178.72 4gss h ILE 107 N -0.75 0.66 0.00 4.05 1.08 -1.10 -1.31 117.51 120.14 4gss h ILE 107 Ca -0.04 -0.08 -0.25 0.00 -0.39 0.00 0.00 64.86 64.10 4gss h ILE 107 Cb 0.50 0.40 -0.05 0.00 -3.07 0.00 0.00 36.82 34.60 4gss h ILE 107 CO 0.07 0.04 -1.94 0.49 -0.69 0.00 0.00 178.15 176.12 4gss n PHE 108 N -5.13 0.47 -0.06 1.37 3.72 -0.48 -4.52 117.46 112.82 4gss n PHE 108 Ca 0.08 0.16 -0.22 0.00 -0.05 0.00 0.00 57.45 57.42 4gss n PHE 108 Cb 0.30 -0.99 -0.13 0.00 -0.94 0.00 0.00 39.48 37.72 4gss n PHE 108 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 4gss n THR 109 N -2.78 1.65 -2.74 4.37 -1.04 0.13 -4.89 114.28 108.97 4gss n THR 109 Ca -0.20 -0.48 -0.07 0.00 -2.04 0.00 0.00 64.05 61.27 4gss n THR 109 Cb 0.97 -1.75 0.05 0.00 -1.82 0.00 0.00 70.33 67.77 4gss n THR 109 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 4gss n ASN 110 N -3.72 -2.71 0.20 8.00 2.04 -1.01 -5.03 115.26 113.03 4gss n ASN 110 Ca -0.37 -2.91 -0.14 0.00 -0.44 0.00 0.00 54.58 50.72 4gss n ASN 110 Cb 0.94 1.61 -0.08 0.00 -2.53 0.00 0.00 39.78 39.72 4gss n ASN 110 CO 0.00 0.00 0.00 0.22 -0.44 0.00 0.00 177.26 177.04 4gss h TYR 111 N 4.06 -0.48 -0.14 -2.53 5.03 -1.48 -1.03 116.97 120.40 4gss h TYR 111 Ca -0.12 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.23 4gss h TYR 111 Cb 1.08 0.16 -0.06 0.00 1.55 0.00 0.00 36.73 39.46 4gss h TYR 111 CO 0.00 -0.16 -0.26 0.93 -1.32 0.00 0.00 178.16 177.36 4gss h GLU 112 N -0.84 -0.31 0.16 1.82 3.07 -1.95 -0.80 114.58 115.73 4gss h GLU 112 Ca -0.05 0.02 -0.30 0.00 -0.50 0.00 0.00 59.36 58.53 4gss h GLU 112 Cb 0.54 0.07 0.01 0.00 -0.84 0.00 0.00 28.75 28.53 4gss h GLU 112 CO 0.09 -0.20 -1.38 0.00 -1.40 0.00 0.00 179.01 176.12 4gss h ALA 113 N 0.61 0.06 -0.00 3.43 0.00 -1.99 -3.37 119.26 118.00 4gss h ALA 113 Ca 0.10 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 54.08 4gss h ALA 113 Cb 0.47 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.38 4gss h ALA 113 CO -0.32 0.93 -0.27 0.41 0.00 0.00 0.00 179.25 180.01 4gss n GLY 114 N 1.62 -0.91 0.20 0.00 0.00 -0.39 -4.37 105.19 101.34 4gss n GLY 114 Ca -0.13 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.49 4gss n GLY 114 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 4gss h LYS 115 N 0.67 0.56 -0.07 1.61 3.64 -1.28 -1.67 116.57 120.02 4gss h LYS 115 Ca 0.00 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 4gss h LYS 115 Cb 0.47 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 4gss h LYS 115 CO 0.00 0.37 0.04 -0.44 -2.27 0.00 0.00 179.45 177.15 4gss h ASP 116 N 0.57 0.09 -0.85 4.20 3.32 -1.85 -2.01 116.42 119.90 4gss h ASP 116 Ca 0.19 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 4gss h ASP 116 Cb 0.00 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 4gss h ASP 116 CO -0.08 0.18 0.44 0.44 -1.72 0.00 0.00 179.24 178.49 4gss h ASP 117 N 0.01 1.09 0.31 6.45 3.32 -1.80 -2.24 116.42 123.56 4gss h ASP 117 Ca 0.03 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 4gss h ASP 117 Cb 0.10 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 4gss h ASP 117 CO -0.00 0.90 -0.27 0.22 -1.72 0.00 0.00 179.24 178.37 4gss h TYR 118 N 1.20 -0.73 -0.85 4.55 5.03 -1.17 -1.98 116.97 123.04 4gss h TYR 118 Ca 0.30 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.67 4gss h TYR 118 Cb 0.08 0.28 -0.06 0.00 1.55 0.00 0.00 36.73 38.57 4gss h TYR 118 CO 0.01 -0.40 0.52 0.28 -1.32 0.00 0.00 178.16 177.25 4gss h VAL 119 N -0.60 1.03 -0.95 1.81 2.07 -1.23 -0.72 116.25 117.66 4gss h VAL 119 Ca -0.02 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.18 4gss h VAL 119 Cb 0.54 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 4gss h VAL 119 CO -0.03 0.17 0.61 0.11 0.02 0.00 0.00 177.57 178.45 4gss h LYS 120 N 0.95 1.26 0.00 1.57 1.57 -1.18 -2.23 116.57 118.51 4gss h LYS 120 Ca 0.37 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 4gss h LYS 120 Cb 0.18 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.22 4gss h LYS 120 CO -0.18 0.85 0.00 0.00 -0.57 0.00 0.00 179.45 179.55 4gss h ALA 121 N 1.38 1.00 -0.38 3.86 0.00 -0.46 -3.37 119.26 121.29 4gss h ALA 121 Ca 0.34 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.34 4gss h ALA 121 Cb -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.59 4gss h ALA 121 CO -0.07 0.00 -0.19 1.25 0.00 0.00 0.00 179.25 180.24 4gss h LEU 122 N 0.00 -0.64 -0.80 0.00 6.46 -0.53 -2.63 115.31 117.18 4gss h LEU 122 Ca 0.00 0.15 0.18 0.00 -0.12 0.00 0.00 57.88 58.09 4gss h LEU 122 Cb 0.71 0.35 -0.11 0.00 -0.73 0.00 0.00 40.66 40.87 4gss h LEU 122 CO 0.00 -0.22 0.27 -0.65 -0.62 0.00 0.00 178.44 177.22 4gss h PRO 123 N -0.12 0.33 -0.32 5.25 0.11 -1.75 0.72 132.00 136.22 4gss h PRO 123 Ca 0.19 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.23 4gss h PRO 123 Cb 0.41 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 4gss h PRO 123 CO -0.46 0.22 -0.01 0.78 -0.21 0.00 0.00 178.00 178.33 4gss h GLY 124 N 0.34 0.53 1.57 -0.55 0.00 -1.76 -0.32 103.07 102.88 4gss h GLY 124 Ca 0.47 -0.31 -0.19 0.00 0.00 0.00 0.00 47.33 47.30 4gss h GLY 124 CO -0.50 0.29 -0.77 1.46 0.00 0.00 0.00 176.54 177.01 4gss h GLN 125 N 0.47 0.42 0.12 4.80 1.08 -0.78 -3.30 115.11 117.92 4gss h GLN 125 Ca 0.10 -0.36 -0.28 0.00 -1.45 0.00 0.00 58.65 56.66 4gss h GLN 125 Cb 0.32 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 4gss h GLN 125 CO 0.01 1.01 -1.28 -0.07 -0.95 0.00 0.00 178.83 177.55 4gss h LEU 126 N 0.28 0.40 -0.91 1.46 3.38 -0.76 -3.38 115.31 115.77 4gss h LEU 126 Ca -0.04 -0.45 0.21 0.00 0.09 0.00 0.00 57.88 57.70 4gss h LEU 126 Cb 1.36 -0.13 -0.17 0.00 0.09 0.00 0.00 40.66 41.81 4gss h LEU 126 CO 0.13 1.35 -0.09 0.50 0.09 0.00 0.00 178.44 180.43 4gss h LYS 127 N 0.07 0.02 -0.91 1.13 3.64 -1.14 -1.06 116.57 118.33 4gss h LYS 127 Ca -0.15 -0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.41 4gss h LYS 127 Cb 1.97 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 33.71 4gss h LYS 127 CO 0.19 0.02 0.59 -1.35 -2.27 0.00 0.00 179.45 176.63 4gss h PRO 128 N 0.02 0.55 -0.01 1.90 0.11 -1.74 0.62 132.00 133.45 4gss h PRO 128 Ca 0.49 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.42 4gss h PRO 128 Cb 0.88 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 4gss h PRO 128 CO -0.88 0.36 -0.69 0.74 -0.21 0.00 0.00 178.00 177.32 4gss h PHE 129 N 0.57 0.04 -0.23 0.65 0.04 -1.47 -0.32 116.94 116.22 4gss h PHE 129 Ca 0.47 -0.02 -0.05 0.00 2.80 0.00 0.00 57.97 61.18 4gss h PHE 129 Cb 0.95 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 4gss h PHE 129 CO -0.00 0.71 -0.04 1.49 -0.60 0.00 0.00 178.31 179.87 4gss h GLU 130 N 0.02 0.43 -0.16 1.51 4.57 -0.86 -2.07 114.58 118.01 4gss h GLU 130 Ca -0.01 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 4gss h GLU 130 Cb 1.22 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 4gss h GLU 130 CO 0.09 0.65 0.11 1.15 -1.18 0.00 0.00 179.01 179.83 4gss h THR 131 N 0.18 1.05 -0.28 0.32 2.02 -0.93 -0.34 112.91 114.93 4gss h THR 131 Ca 0.06 -0.12 0.06 0.00 0.77 0.00 0.00 66.41 67.18 4gss h THR 131 Cb 0.48 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 67.67 4gss h THR 131 CO 0.02 0.05 -0.07 -0.07 0.37 0.00 0.00 175.52 175.82 4gss h LEU 132 N 0.21 -0.26 -0.95 2.58 3.38 -1.01 -2.22 115.31 117.03 4gss h LEU 132 Ca 0.06 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.15 4gss h LEU 132 Cb -0.01 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 4gss h LEU 132 CO -0.01 -0.09 0.62 0.25 0.09 0.00 0.00 178.44 179.29 4gss h LEU 133 N -0.00 1.03 -1.92 1.67 5.85 -0.96 -1.71 115.31 119.27 4gss h LEU 133 Ca 0.13 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 4gss h LEU 133 Cb 0.20 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 4gss h LEU 133 CO -0.29 0.70 -0.09 0.77 -0.34 0.00 0.00 178.44 179.19 4gss h SER 134 N 1.19 0.00 0.13 1.25 4.64 -0.47 0.99 113.55 121.29 4gss h SER 134 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 4gss h SER 134 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 4gss h SER 134 CO -0.13 0.09 -0.16 0.00 -0.87 0.00 0.00 176.83 175.77 4gss n GLN 135 N -3.47 1.18 -3.92 4.77 6.02 -0.65 -4.01 117.38 117.30 4gss n GLN 135 Ca -0.01 -0.70 -0.33 0.00 -0.01 0.00 0.00 57.00 55.95 4gss n GLN 135 Cb 0.24 -1.49 -0.13 0.00 1.02 0.00 0.00 30.24 29.88 4gss n GLN 135 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 4gss s ASN 136 N -2.30 4.86 -1.62 1.08 2.47 -0.80 -4.78 114.94 113.84 4gss s ASN 136 Ca 0.29 -2.35 -0.14 0.00 0.42 0.00 0.00 52.86 51.09 4gss s ASN 136 Cb 0.20 -1.70 0.11 0.00 -1.45 0.00 0.00 41.25 38.41 4gss s ASN 136 CO 0.45 -0.39 0.72 0.00 -3.72 0.00 0.00 177.10 174.15 4gss n GLN 137 N 4.06 -3.45 -1.65 0.43 6.02 -1.26 -0.16 117.38 121.37 4gss n GLN 137 Ca 0.03 0.40 -0.20 0.00 -0.01 0.00 0.00 57.00 57.22 4gss n GLN 137 Cb 0.40 -5.00 -0.08 0.00 1.02 0.00 0.00 30.24 26.57 4gss n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 4gss n GLY 138 N -1.58 1.79 2.30 1.08 0.00 -1.26 -1.90 105.19 105.63 4gss n GLY 138 Ca -0.02 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 4gss n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4gss n GLY 139 N -0.49 0.15 0.04 -0.02 0.00 0.77 -4.78 105.19 100.86 4gss n GLY 139 Ca -0.21 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.63 4gss n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 4gss n LYS 140 N -2.42 0.25 0.00 1.61 4.76 -0.80 -4.82 118.16 116.74 4gss n LYS 140 Ca -0.16 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 4gss n LYS 140 Cb 0.60 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 4gss n LYS 140 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 4gss n THR 141 N -1.95 0.00 -4.60 -0.18 -2.24 -1.26 -5.11 114.28 98.94 4gss n THR 141 Ca 0.03 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.54 4gss n THR 141 Cb 0.42 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 4gss n THR 141 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 4gss n PHE 142 N 0.00 0.81 0.15 4.78 3.72 -1.25 -5.04 117.46 120.63 4gss n PHE 142 Ca 0.00 -2.19 0.00 0.00 -0.05 0.00 0.00 57.45 55.21 4gss n PHE 142 Cb 0.00 -0.22 0.26 0.00 -0.94 0.00 0.00 39.48 38.57 4gss n PHE 142 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 4gss h ILE 143 N 1.31 1.35 -3.26 4.37 6.09 -1.96 -3.43 117.51 121.98 4gss h ILE 143 Ca -0.34 -1.69 -0.29 0.00 -1.37 0.00 0.00 64.86 61.16 4gss h ILE 143 Cb 1.09 1.90 -0.35 0.00 0.47 0.00 0.00 36.82 39.94 4gss h ILE 143 CO 0.57 0.49 -0.66 -0.69 -3.07 0.00 0.00 178.15 174.78 4gss s VAL 144 N -3.92 -0.13 0.00 2.19 1.01 -1.26 -4.70 120.40 113.60 4gss s VAL 144 Ca -0.02 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.24 4gss s VAL 144 Cb 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.30 4gss s VAL 144 CO 0.75 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.58 4gss n GLY 145 N 4.73 -0.55 0.40 4.51 0.00 -1.26 -4.40 105.19 108.61 4gss n GLY 145 Ca -0.16 -1.11 0.05 0.00 0.00 0.00 0.00 46.02 44.80 4gss n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 4gss n ASP 146 N -1.32 1.89 -4.59 1.61 5.68 -1.26 -3.97 116.55 114.58 4gss n ASP 146 Ca 0.00 -1.45 -0.28 0.00 -0.50 0.00 0.00 54.79 52.56 4gss n ASP 146 Cb 0.00 -0.02 -0.09 0.00 -1.14 0.00 0.00 41.12 39.87 4gss n ASP 146 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 4gss s GLN 147 N -0.82 2.15 0.67 0.11 -2.07 -1.26 -4.77 119.66 113.66 4gss s GLN 147 Ca 0.12 -1.12 -0.14 0.00 -1.82 0.00 0.00 55.36 52.40 4gss s GLN 147 Cb 0.08 -2.26 0.00 0.00 -1.09 0.00 0.00 33.01 29.74 4gss s GLN 147 CO 0.12 0.47 1.08 -1.50 -1.32 0.00 0.00 175.29 174.15 4gss s ILE 148 N -1.47 3.56 0.16 3.63 2.07 -1.26 -4.80 121.20 123.08 4gss s ILE 148 Ca 0.24 0.65 -0.06 0.00 -1.41 0.00 0.00 60.65 60.07 4gss s ILE 148 Cb -0.10 -3.20 -0.02 0.00 0.13 0.00 0.00 42.46 39.27 4gss s ILE 148 CO 0.15 -0.52 0.21 -0.94 -1.91 0.00 0.00 174.94 171.93 4gss s SER 149 N -2.99 0.13 0.55 4.50 1.04 -1.26 -4.62 113.70 111.05 4gss s SER 149 Ca 0.63 -1.03 0.25 0.00 0.48 0.00 0.00 55.95 56.28 4gss s SER 149 Cb -0.17 0.39 1.44 0.00 0.10 0.00 0.00 66.02 67.78 4gss s SER 149 CO 0.45 -0.85 2.03 2.19 0.98 0.00 0.00 173.24 178.04 4gss h PHE 150 N 2.64 0.00 0.00 5.02 -5.15 -1.59 0.26 116.94 118.11 4gss h PHE 150 Ca -0.33 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.39 4gss h PHE 150 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.38 4gss h PHE 150 CO 0.41 0.00 -0.27 0.00 -2.00 0.00 0.00 178.31 176.45 4gss h ALA 151 N 1.76 1.53 0.15 12.09 0.00 -1.86 -2.47 119.26 130.46 4gss h ALA 151 Ca 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 4gss h ALA 151 Cb 0.77 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.52 4gss h ALA 151 CO -0.00 0.33 -0.07 -0.44 0.00 0.00 0.00 179.25 179.07 4gss h ASP 152 N 0.00 -0.17 -0.63 0.00 3.32 -1.34 0.32 116.42 117.93 4gss h ASP 152 Ca -0.00 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 56.90 4gss h ASP 152 Cb 0.48 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 4gss h ASP 152 CO 0.03 0.09 0.38 1.88 -1.72 0.00 0.00 179.24 179.90 4gss h TYR 153 N -0.43 0.70 -0.31 4.55 0.05 -1.56 0.37 116.97 120.34 4gss h TYR 153 Ca -0.02 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 4gss h TYR 153 Cb 0.34 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 4gss h TYR 153 CO 0.00 0.38 0.04 -0.97 -1.05 0.00 0.00 178.16 176.56 4gss h ASN 154 N 0.73 0.50 -0.34 3.88 -1.24 -1.38 -2.01 115.58 115.72 4gss h ASN 154 Ca 0.26 -0.27 -0.02 0.00 0.71 0.00 0.00 56.30 56.98 4gss h ASN 154 Cb 0.07 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 4gss h ASN 154 CO -0.12 0.64 0.13 0.25 -1.29 0.00 0.00 177.43 177.04 4gss h LEU 155 N 0.34 0.48 -0.78 0.34 5.85 -0.53 -2.21 115.31 118.80 4gss h LEU 155 Ca 0.09 -0.17 0.12 0.00 0.84 0.00 0.00 57.88 58.76 4gss h LEU 155 Cb 0.36 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.18 4gss h LEU 155 CO 0.01 0.52 0.39 0.25 -0.34 0.00 0.00 178.44 179.27 4gss h LEU 156 N 0.40 0.48 -0.20 2.25 5.85 -0.14 -0.57 115.31 123.38 4gss h LEU 156 Ca 0.11 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 4gss h LEU 156 Cb 0.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 4gss h LEU 156 CO -0.01 0.24 0.07 -0.78 -0.34 0.00 0.00 178.44 177.62 4gss h ASP 157 N 0.61 0.28 -0.49 1.25 3.58 -1.07 -0.97 116.42 119.61 4gss h ASP 157 Ca 0.41 -0.18 0.09 0.00 0.42 0.00 0.00 57.03 57.76 4gss h ASP 157 Cb 0.51 -0.07 -0.07 0.00 1.72 0.00 0.00 39.33 41.42 4gss h ASP 157 CO -0.32 0.39 0.08 0.25 -2.88 0.00 0.00 179.24 176.76 4gss h LEU 158 N 0.16 -0.03 -0.18 2.28 5.85 -0.68 0.38 115.31 123.09 4gss h LEU 158 Ca 0.07 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 4gss h LEU 158 Cb 0.20 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 4gss h LEU 158 CO -0.00 0.01 0.08 -0.07 -0.34 0.00 0.00 178.44 178.12 4gss h LEU 159 N 0.21 0.25 -0.28 2.25 3.38 -0.98 -2.10 115.31 118.04 4gss h LEU 159 Ca 0.25 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.10 4gss h LEU 159 Cb 0.34 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 4gss h LEU 159 CO -0.34 0.33 0.07 -0.07 0.09 0.00 0.00 178.44 178.53 4gss h LEU 160 N 0.14 0.05 -1.48 1.67 3.38 -0.34 -1.24 115.31 117.49 4gss h LEU 160 Ca 0.06 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 4gss h LEU 160 Cb 0.16 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 4gss h LEU 160 CO -0.01 0.06 -0.26 0.16 0.09 0.00 0.00 178.44 178.48 4gss h ILE 161 N 0.18 1.18 0.00 1.22 3.07 -0.90 -1.92 117.51 120.34 4gss h ILE 161 Ca 0.13 -0.90 -0.08 0.00 1.55 0.00 0.00 64.86 65.56 4gss h ILE 161 Cb 0.12 1.49 -0.01 0.00 -0.27 0.00 0.00 36.82 38.15 4gss h ILE 161 CO -0.16 0.26 -0.36 0.45 -1.05 0.00 0.00 178.15 177.29 4gss h HIS 162 N 0.00 0.00 -0.29 0.16 3.86 -0.62 -2.36 115.15 115.90 4gss h HIS 162 Ca -0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.12 4gss h HIS 162 Cb 0.47 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 4gss h HIS 162 CO 0.00 0.36 -0.17 0.93 0.86 0.00 0.00 177.93 179.91 4gss h GLU 163 N 0.00 0.52 -0.06 2.45 4.39 -0.43 0.14 114.58 121.59 4gss h GLU 163 Ca -0.00 -0.17 -0.24 0.00 0.34 0.00 0.00 59.36 59.29 4gss h GLU 163 Cb 1.04 -0.04 0.02 0.00 -0.10 0.00 0.00 28.75 29.66 4gss h GLU 163 CO 0.05 0.67 -0.89 0.28 -1.16 0.00 0.00 179.01 177.96 4gss h VAL 164 N 0.47 1.29 -0.03 3.13 2.07 -1.40 -1.89 116.25 119.88 4gss h VAL 164 Ca 0.08 -2.12 -0.01 0.00 0.82 0.00 0.00 66.70 65.48 4gss h VAL 164 Cb 0.57 2.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 4gss h VAL 164 CO 0.04 0.66 -0.00 0.25 0.02 0.00 0.00 177.57 178.53 4gss h LEU 165 N 0.39 0.06 -6.61 2.57 5.85 -1.14 -3.38 115.31 113.05 4gss h LEU 165 Ca -0.10 -0.35 -0.60 0.00 0.84 0.00 0.00 57.88 57.67 4gss h LEU 165 Cb 1.54 -0.02 -0.39 0.00 0.37 0.00 0.00 40.66 42.16 4gss h LEU 165 CO 0.18 0.39 -0.84 0.00 -0.34 0.00 0.00 178.44 177.83 4gss s ALA 166 N -4.80 2.21 0.10 1.25 0.00 0.47 -5.10 121.76 115.90 4gss s ALA 166 Ca -0.15 -2.92 -0.36 0.00 0.00 0.00 0.00 51.96 48.54 4gss s ALA 166 Cb 0.03 -1.79 -0.16 0.00 0.00 0.00 0.00 23.12 21.21 4gss s ALA 166 CO 0.68 -2.02 1.40 -2.30 0.00 0.00 0.00 175.76 173.52 4gss n PRO 167 N 2.56 1.38 -0.37 0.00 -0.02 -0.71 -1.84 135.00 136.00 4gss n PRO 167 Ca 0.26 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 4gss n PRO 167 Cb 0.43 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 4gss n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4gss n GLY 168 N 2.73 0.71 0.24 -1.23 0.00 -1.26 -4.94 105.19 101.44 4gss n GLY 168 Ca 0.18 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.36 4gss n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4gss n LEU 170 N -2.67 1.28 0.18 0.00 4.32 -1.26 -4.26 117.00 114.59 4gss n LEU 170 Ca -0.01 -0.45 0.06 0.00 -0.02 0.00 0.00 56.01 55.59 4gss n LEU 170 Cb 0.11 -0.07 0.54 0.00 -1.62 0.00 0.00 43.42 42.38 4gss n LEU 170 CO 0.17 0.26 1.04 0.44 -1.22 0.00 0.00 177.39 178.08 4gss h ASP 171 N 1.15 0.13 0.27 -1.43 3.32 -1.71 -0.43 116.42 117.72 4gss h ASP 171 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 4gss h ASP 171 Cb 0.59 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.11 4gss h ASP 171 CO 0.00 0.15 -0.02 0.00 -1.72 0.00 0.00 179.24 177.64 4gss n ALA 172 N -2.51 2.63 -3.73 3.45 0.00 -1.26 -4.46 120.51 114.63 4gss n ALA 172 Ca -0.01 -0.21 -0.29 0.00 0.00 0.00 0.00 53.44 52.93 4gss n ALA 172 Cb 0.13 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.01 4gss n ALA 172 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 4gss s PHE 173 N -2.29 2.34 0.28 0.00 0.08 -0.17 -5.00 117.98 113.21 4gss s PHE 173 Ca 0.37 -2.70 0.01 0.00 0.12 0.00 0.00 56.93 54.73 4gss s PHE 173 Cb 0.21 -2.02 0.58 0.00 -0.57 0.00 0.00 43.02 41.21 4gss s PHE 173 CO 0.42 -0.73 1.79 -1.00 -0.10 0.00 0.00 175.22 175.60 4gss h PRO 174 N 6.23 0.76 -0.22 0.24 0.13 -1.78 -1.73 132.00 135.63 4gss h PRO 174 Ca 0.06 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 65.08 4gss h PRO 174 Cb 0.88 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 4gss h PRO 174 CO 0.54 0.50 -0.13 -0.07 -0.23 0.00 0.00 178.00 178.61 4gss h LEU 175 N 0.79 0.50 -0.63 1.56 4.07 -1.94 -1.73 115.31 117.93 4gss h LEU 175 Ca 0.50 -0.43 -0.03 0.00 0.08 0.00 0.00 57.88 58.00 4gss h LEU 175 Cb 0.64 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.22 4gss h LEU 175 CO -0.33 0.82 0.26 -0.07 -1.08 0.00 0.00 178.44 178.04 4gss h LEU 176 N 0.18 0.85 -0.13 1.67 3.38 -1.84 -0.02 115.31 119.40 4gss h LEU 176 Ca 0.05 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 4gss h LEU 176 Cb 0.64 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 4gss h LEU 176 CO 0.04 0.78 0.08 0.28 0.09 0.00 0.00 178.44 179.71 4gss h SER 177 N 0.87 0.16 -0.65 -0.43 0.02 -1.31 0.36 113.55 112.56 4gss h SER 177 Ca 0.21 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 4gss h SER 177 Cb 0.18 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 4gss h SER 177 CO -0.02 0.15 0.36 0.00 -1.14 0.00 0.00 176.83 176.18 4gss h ALA 178 N 1.01 1.37 0.08 3.77 0.00 -1.10 -2.18 119.26 122.21 4gss h ALA 178 Ca 0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 4gss h ALA 178 Cb 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.54 4gss h ALA 178 CO -0.01 0.52 -0.04 -0.92 0.00 0.00 0.00 179.25 178.80 4gss h TYR 179 N 0.94 -0.11 0.05 0.00 3.20 -0.37 0.51 116.97 121.20 4gss h TYR 179 Ca 0.24 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.11 4gss h TYR 179 Cb 0.04 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 4gss h TYR 179 CO 0.01 0.02 -0.07 0.28 -1.64 0.00 0.00 178.16 176.76 4gss h VAL 180 N -0.21 0.82 -0.46 1.81 2.07 -0.78 -1.58 116.25 117.91 4gss h VAL 180 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 4gss h VAL 180 Cb 0.18 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 4gss h VAL 180 CO 0.02 0.00 0.27 1.23 0.02 0.00 0.00 177.57 179.11 4gss h GLY 181 N -0.16 0.65 0.90 2.17 0.00 -1.32 -0.41 103.07 104.91 4gss h GLY 181 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.14 4gss h GLY 181 CO -0.04 0.17 -0.08 -0.09 0.00 0.00 0.00 176.54 176.50 4gss h ARG 182 N 0.54 -0.17 -0.22 4.80 2.43 -0.69 -2.31 114.38 118.76 4gss h ARG 182 Ca 0.19 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.23 4gss h ARG 182 Cb 0.03 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 4gss h ARG 182 CO -0.09 -0.11 -0.43 -0.07 -1.51 0.00 0.00 179.97 177.75 4gss h LEU 183 N -0.18 0.57 -2.06 3.80 4.07 -1.18 -2.62 115.31 117.71 4gss h LEU 183 Ca 0.00 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 57.69 4gss h LEU 183 Cb 0.17 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.75 4gss h LEU 183 CO -0.02 0.92 -0.07 0.28 -1.08 0.00 0.00 178.44 178.48 4gss h SER 184 N 0.43 0.00 0.92 -0.43 0.02 -0.96 -2.40 113.55 111.13 4gss h SER 184 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 4gss h SER 184 Cb 0.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 4gss h SER 184 CO 0.08 0.07 -0.16 0.00 -1.14 0.00 0.00 176.83 175.68 4gss n ALA 185 N -2.20 2.66 -1.68 3.77 0.00 -0.88 -3.33 120.51 118.84 4gss n ALA 185 Ca -0.02 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 4gss n ALA 185 Cb 0.21 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 4gss n ALA 185 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 4gss s ARG 186 N -3.02 4.13 0.03 0.00 0.52 -0.90 -4.74 118.95 114.97 4gss s ARG 186 Ca 0.13 2.63 -0.06 0.00 -0.52 0.00 0.00 55.73 57.90 4gss s ARG 186 Cb 0.18 -3.83 -0.01 0.00 0.52 0.00 0.00 34.95 31.80 4gss s ARG 186 CO 0.59 -0.90 0.76 -2.30 0.02 0.00 0.00 175.30 173.47 4gss n PRO 187 N 6.47 -0.09 -0.32 3.54 -0.02 -1.26 0.02 135.00 143.34 4gss n PRO 187 Ca 0.19 0.75 0.02 0.00 -2.02 0.00 0.00 63.50 62.44 4gss n PRO 187 Cb 0.39 -1.12 0.20 0.00 -0.02 0.00 0.00 33.50 32.95 4gss n PRO 187 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 4gss h LYS 188 N 0.00 1.09 -0.22 -0.52 1.57 -1.90 -1.78 116.57 114.81 4gss h LYS 188 Ca 0.03 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 4gss h LYS 188 Cb 0.08 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 4gss h LYS 188 CO -0.19 0.72 -0.23 1.25 -0.57 0.00 0.00 179.45 180.43 4gss h LEU 189 N 1.12 0.59 -0.12 2.94 6.46 -1.51 -2.04 115.31 122.75 4gss h LEU 189 Ca 0.38 -0.48 0.02 0.00 -0.12 0.00 0.00 57.88 57.68 4gss h LEU 189 Cb 0.09 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.84 4gss h LEU 189 CO -0.13 0.95 0.01 0.50 -0.62 0.00 0.00 178.44 179.15 4gss h LYS 190 N 0.23 0.06 -1.00 1.25 3.64 -0.10 0.55 116.57 121.20 4gss h LYS 190 Ca 0.03 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 4gss h LYS 190 Cb 0.79 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.54 4gss h LYS 190 CO 0.06 0.04 0.66 0.00 -2.27 0.00 0.00 179.45 177.94 4gss h ALA 191 N 1.09 1.29 -0.14 5.00 0.00 -1.35 -2.14 119.26 123.02 4gss h ALA 191 Ca 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 4gss h ALA 191 Cb 0.05 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 4gss h ALA 191 CO -0.08 0.63 -0.01 0.35 0.00 0.00 0.00 179.25 180.13 4gss h PHE 192 N 1.33 0.27 0.00 0.00 3.57 -0.74 -2.36 116.94 119.01 4gss h PHE 192 Ca 0.38 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 4gss h PHE 192 Cb -0.11 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 4gss h PHE 192 CO -0.00 0.50 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.44 4gss h LEU 193 N -0.04 0.00 0.00 0.59 3.38 -0.71 -2.31 115.31 116.23 4gss h LEU 193 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 4gss h LEU 193 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 4gss h LEU 193 CO 0.01 0.07 -0.61 0.00 0.09 0.00 0.00 178.44 178.00 4gss n ALA 194 N -2.34 3.82 -1.76 1.53 0.00 -0.82 -4.36 120.51 116.58 4gss n ALA 194 Ca -0.02 -0.41 -0.33 0.00 0.00 0.00 0.00 53.44 52.68 4gss n ALA 194 Cb 0.17 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 4gss n ALA 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 4gss s SER 195 N -3.00 6.23 0.52 0.00 1.04 -0.87 -4.84 113.70 112.79 4gss s SER 195 Ca 0.10 1.71 0.20 0.00 0.48 0.00 0.00 55.95 58.45 4gss s SER 195 Cb 0.17 -2.52 1.33 0.00 0.10 0.00 0.00 66.02 65.10 4gss s SER 195 CO 0.74 -0.86 2.07 -0.65 0.98 0.00 0.00 173.24 175.52 4gss h PRO 196 N 0.76 0.00 -0.17 4.02 0.11 -1.92 -0.83 132.00 133.97 4gss h PRO 196 Ca -0.47 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.68 4gss h PRO 196 Cb 1.20 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 4gss h PRO 196 CO 0.59 0.00 0.12 1.49 -0.21 0.00 0.00 178.00 180.00 4gss h GLU 197 N 0.00 0.06 0.00 1.05 4.81 -1.92 -1.83 114.58 116.75 4gss h GLU 197 Ca 0.13 -0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.18 4gss h GLU 197 Cb 0.50 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 4gss h GLU 197 CO -0.00 0.04 -1.49 0.98 -0.73 0.00 0.00 179.01 177.81 4gss n TYR 198 N -4.50 0.00 -0.36 0.92 9.36 -0.70 -4.63 117.16 117.25 4gss n TYR 198 Ca 0.01 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.30 4gss n TYR 198 Cb 0.22 -0.61 0.25 0.00 -0.63 0.00 0.00 39.34 38.56 4gss n TYR 198 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 4gss h VAL 199 N -0.85 0.91 -0.32 2.97 2.07 -1.24 -2.62 116.25 117.16 4gss h VAL 199 Ca -0.26 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.92 4gss h VAL 199 Cb 1.14 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 4gss h VAL 199 CO -0.16 0.18 0.00 0.59 0.02 0.00 0.00 177.57 178.20 4gss n ASN 200 N -4.62 1.93 -4.78 0.57 3.02 -0.69 -4.82 115.26 105.87 4gss n ASN 200 Ca 0.19 -2.05 -0.36 0.00 -0.03 0.00 0.00 54.58 52.33 4gss n ASN 200 Cb 0.37 -0.26 -0.08 0.00 -0.61 0.00 0.00 39.78 39.19 4gss n ASN 200 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 4gss s LEU 201 N -1.03 4.07 0.35 3.41 2.96 -0.99 -5.07 118.68 122.38 4gss s LEU 201 Ca 0.22 0.31 -0.26 0.00 -0.22 0.00 0.00 54.13 54.18 4gss s LEU 201 Cb 0.12 -1.99 -0.09 0.00 0.50 0.00 0.00 46.19 44.73 4gss s LEU 201 CO 0.14 0.35 1.02 -2.16 -1.32 0.00 0.00 176.35 174.38 4gss s PRO 202 N -0.69 4.41 0.07 0.98 0.04 -1.26 -4.76 135.00 133.79 4gss s PRO 202 Ca 0.12 1.49 -0.33 0.00 0.04 0.00 0.00 61.00 62.33 4gss s PRO 202 Cb -0.12 -2.75 -0.16 0.00 0.04 0.00 0.00 34.50 31.51 4gss s PRO 202 CO 0.03 0.08 1.51 0.82 0.04 0.00 0.00 177.00 179.47 4gss h ILE 203 N 2.51 0.00 -1.21 0.56 2.04 -1.95 -1.16 117.51 118.30 4gss h ILE 203 Ca -0.47 0.00 -0.56 0.00 1.00 0.00 0.00 64.86 64.82 4gss h ILE 203 Cb 1.21 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 4gss h ILE 203 CO 0.64 0.00 -0.42 0.20 0.00 0.00 0.00 178.15 178.57 4gss s ASN 204 N -4.12 4.59 0.19 1.72 0.01 -1.26 -0.30 114.94 115.76 4gss s ASN 204 Ca -0.16 -1.10 0.23 0.00 -0.71 0.00 0.00 52.86 51.12 4gss s ASN 204 Cb 0.04 -0.18 0.11 0.00 0.41 0.00 0.00 41.25 41.63 4gss s ASN 204 CO 0.55 -0.74 1.15 1.23 -1.51 0.00 0.00 177.10 177.77 4gss h GLY 205 N 1.15 0.00 -0.66 0.66 0.00 -1.88 -3.39 103.07 98.95 4gss h GLY 205 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 4gss h GLY 205 CO 0.64 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.34 4gss n ASN 206 N -2.53 0.87 0.00 0.19 6.94 -1.26 -4.83 115.26 114.64 4gss n ASN 206 Ca 0.01 -2.04 0.00 0.00 -0.02 0.00 0.00 54.58 52.53 4gss n ASN 206 Cb 0.52 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 4gss n ASN 206 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 4gss n GLY 207 N 0.50 0.48 3.62 4.83 0.00 -1.26 -5.01 105.19 108.35 4gss n GLY 207 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 4gss n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4gss s LYS 208 N -0.40 2.47 0.00 1.61 1.02 -1.26 -5.11 119.74 118.07 4gss s LYS 208 Ca 0.00 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.18 4gss s LYS 208 Cb 0.00 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 4gss s LYS 208 CO 0.00 0.57 0.00 0.00 -0.92 0.00 0.00 175.35 175.00