#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sng s SER 0 N 0.00 4.03 0.30 1.61 1.04 -1.26 -5.03 113.70 114.39 1sng s SER 0 Ca 0.00 2.19 0.07 0.00 0.48 0.00 0.00 55.95 58.69 1sng s SER 0 Cb 0.00 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 1sng s SER 0 CO 0.00 -2.37 0.28 0.68 0.98 0.00 0.00 173.24 172.81 1sng s VAL 1 N -2.33 3.99 -0.05 5.02 -7.23 -1.26 -5.10 120.40 113.46 1sng s VAL 1 Ca 0.70 -1.33 -0.23 0.00 -1.81 0.00 0.00 61.98 59.31 1sng s VAL 1 Cb -0.25 -3.32 -0.04 0.00 0.56 0.00 0.00 36.38 33.33 1sng s VAL 1 CO 0.49 -0.24 0.68 -0.55 -0.31 0.00 0.00 175.10 175.17 1sng s SER 2 N -3.96 7.00 0.00 4.85 0.15 -1.26 -4.94 113.70 115.54 1sng s SER 2 Ca 0.38 1.20 0.20 0.00 0.70 0.00 0.00 55.95 58.44 1sng s SER 2 Cb -0.07 -2.41 0.32 0.00 -1.71 0.00 0.00 66.02 62.15 1sng s SER 2 CO 0.26 -0.06 1.28 0.23 1.20 0.00 0.00 173.24 176.15 1sng n MET 3 N 3.49 2.22 -0.07 5.44 0.00 -1.26 -4.40 117.12 122.54 1sng n MET 3 Ca -0.02 -2.04 0.06 0.00 0.00 0.00 0.00 57.70 55.70 1sng n MET 3 Cb 0.51 -1.44 0.10 0.00 0.00 0.00 0.00 33.22 32.39 1sng n MET 3 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1sng n SER 4 N 1.25 2.34 0.00 7.83 3.41 -1.26 -4.98 113.62 122.21 1sng n SER 4 Ca 0.16 -2.66 0.00 0.00 -0.26 0.00 0.00 58.87 56.11 1sng n SER 4 Cb 0.54 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1sng n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sng n GLY 5 N -0.98 0.78 0.00 5.00 0.00 -1.26 -5.00 105.19 103.73 1sng n GLY 5 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1sng n GLY 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sng n GLY 6 N -0.96 -1.43 0.37 -0.02 0.00 -1.26 -4.93 105.19 96.96 1sng n GLY 6 Ca 0.00 -1.58 -0.02 0.00 0.00 0.00 0.00 46.02 44.43 1sng n GLY 6 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1sng n PHE 7 N -1.46 -0.46 -2.81 1.61 7.35 -1.26 -4.99 117.46 115.45 1sng n PHE 7 Ca 0.00 -0.27 -0.35 0.00 -0.76 0.00 0.00 57.45 56.07 1sng n PHE 7 Cb 0.00 0.06 -0.07 0.00 0.35 0.00 0.00 39.48 39.82 1sng n PHE 7 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1sng s LEU 8 N 0.00 4.11 0.23 -2.13 1.43 -1.26 -3.97 118.68 117.09 1sng s LEU 8 Ca 0.03 1.75 -0.32 0.00 -1.03 0.00 0.00 54.13 54.57 1sng s LEU 8 Cb -0.00 -4.32 -0.13 0.00 0.03 0.00 0.00 46.19 41.77 1sng s LEU 8 CO 0.02 -0.24 1.52 0.54 0.23 0.00 0.00 176.35 178.43 1sng n ARG 9 N -0.13 2.28 0.00 1.70 1.74 -0.56 -4.89 116.66 116.81 1sng n ARG 9 Ca 0.05 0.82 -0.09 0.00 -0.77 0.00 0.00 57.85 57.85 1sng n ARG 9 Cb 0.52 -2.55 -0.03 0.00 -1.02 0.00 0.00 32.46 29.39 1sng n ARG 9 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1sng h ASP 10 N 4.96 -0.60 0.18 0.55 3.32 -1.95 -0.99 116.42 121.89 1sng h ASP 10 Ca -0.45 0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.63 1sng h ASP 10 Cb 1.25 0.28 -0.01 0.00 0.22 0.00 0.00 39.33 41.07 1sng h ASP 10 CO 0.81 -0.25 -0.28 -2.24 -1.72 0.00 0.00 179.24 175.57 1sng h ASP 11 N -0.25 0.16 -0.23 6.45 3.04 -1.91 -1.58 116.42 122.10 1sng h ASP 11 Ca 0.10 -0.05 -0.09 0.00 -3.24 0.00 0.00 57.03 53.75 1sng h ASP 11 Cb 0.39 -0.04 -0.00 0.00 -1.04 0.00 0.00 39.33 38.63 1sng h ASP 11 CO -0.27 0.45 -0.20 -0.74 -2.04 0.00 0.00 179.24 176.44 1sng h HIS 12 N 0.15 0.65 -0.28 4.15 2.76 -1.73 -1.17 115.15 119.69 1sng h HIS 12 Ca 0.02 -0.19 0.03 0.00 -2.20 0.00 0.00 60.37 58.04 1sng h HIS 12 Cb 0.58 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.36 1sng h HIS 12 CO 0.01 0.87 0.07 1.25 -1.30 0.00 0.00 177.93 178.83 1sng h LEU 13 N 0.25 0.06 -0.16 0.26 5.85 -0.88 0.92 115.31 121.61 1sng h LEU 13 Ca 0.04 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1sng h LEU 13 Cb 0.75 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1sng h LEU 13 CO 0.05 0.07 0.08 -0.33 -0.34 0.00 0.00 178.44 177.96 1sng h GLU 14 N 0.19 0.23 -0.20 1.25 4.39 -1.29 -1.75 114.58 117.39 1sng h GLU 14 Ca 0.13 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.84 1sng h GLU 14 Cb 0.11 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 1sng h GLU 14 CO -0.15 0.27 -0.08 0.35 -1.16 0.00 0.00 179.01 178.25 1sng h PHE 15 N 0.13 -0.18 -0.19 4.33 3.57 -1.03 -1.88 116.94 121.68 1sng h PHE 15 Ca 0.05 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1sng h PHE 15 Cb 0.12 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1sng h PHE 15 CO -0.03 -0.13 0.11 0.00 -2.23 0.00 0.00 178.31 176.03 1sng h ALA 16 N 1.15 0.25 0.00 2.41 0.00 -0.64 -2.13 119.26 120.29 1sng h ALA 16 Ca 0.11 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1sng h ALA 16 Cb 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1sng h ALA 16 CO -0.24 -0.21 -0.71 -0.07 0.00 0.00 0.00 179.25 178.01 1sng h LEU 17 N 0.21 0.00 -0.11 0.00 -0.00 -1.28 -0.27 115.31 113.86 1sng h LEU 17 Ca 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.93 1sng h LEU 17 Cb 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.73 1sng h LEU 17 CO -0.01 0.71 0.01 0.45 -0.00 0.00 0.00 178.44 179.60 1sng h HIS 18 N 0.00 0.21 -0.38 1.13 3.86 -1.25 -2.43 115.15 116.29 1sng h HIS 18 Ca -0.01 -0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.07 1sng h HIS 18 Cb 1.30 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.70 1sng h HIS 18 CO 0.00 0.41 -0.16 1.25 0.86 0.00 0.00 177.93 180.29 1sng h LEU 19 N -0.06 0.70 -0.76 2.43 5.85 -1.30 -3.01 115.31 119.16 1sng h LEU 19 Ca 0.03 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.54 1sng h LEU 19 Cb 0.32 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1sng h LEU 19 CO 0.00 0.87 0.50 -0.74 -0.34 0.00 0.00 178.44 178.73 1sng h HIS 20 N 0.63 0.94 -0.72 1.25 2.76 -0.99 -0.83 115.15 118.19 1sng h HIS 20 Ca 0.10 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.35 1sng h HIS 20 Cb 0.63 -0.32 -0.05 0.00 1.55 0.00 0.00 27.41 29.22 1sng h HIS 20 CO 0.03 0.58 0.43 -0.09 -1.30 0.00 0.00 177.93 177.58 1sng h ARG 21 N 1.01 0.78 -0.54 5.26 2.43 -1.31 0.44 114.38 122.45 1sng h ARG 21 Ca 0.28 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.29 1sng h ARG 21 Cb -0.09 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.27 1sng h ARG 21 CO -0.07 0.51 -0.11 0.00 -1.51 0.00 0.00 179.97 178.79 1sng h ARG 22 N 0.80 1.03 -0.42 0.20 3.08 -1.31 -1.43 114.38 116.33 1sng h ARG 22 Ca 0.31 -0.39 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1sng h ARG 22 Cb 0.14 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1sng h ARG 22 CO -0.16 1.08 0.10 -0.07 -1.07 0.00 0.00 179.97 179.85 1sng h LEU 23 N 0.91 0.63 -0.65 3.04 3.38 -0.69 -2.75 115.31 119.18 1sng h LEU 23 Ca 0.14 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1sng h LEU 23 Cb 0.68 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1sng h LEU 23 CO 0.05 0.69 0.13 0.00 0.09 0.00 0.00 178.44 179.41 1sng h ALA 24 N 0.96 0.85 0.00 1.53 0.00 -0.82 -2.64 119.26 119.14 1sng h ALA 24 Ca 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1sng h ALA 24 Cb 0.31 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1sng h ALA 24 CO 0.00 0.59 -0.09 0.93 0.00 0.00 0.00 179.25 180.68 1sng h GLU 25 N 0.97 0.00 0.00 0.00 5.08 -1.22 -2.94 114.58 116.47 1sng h GLU 25 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1sng h GLU 25 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1sng h GLU 25 CO 0.01 0.09 0.00 0.00 -1.00 0.00 0.00 179.01 178.11 1sng n ALA 26 N -2.19 2.11 -2.46 3.43 0.00 -1.00 -4.76 120.51 115.64 1sng n ALA 26 Ca -0.01 -0.04 -0.26 0.00 0.00 0.00 0.00 53.44 53.13 1sng n ALA 26 Cb 0.27 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 18.15 1sng n ALA 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1sng s VAL 27 N -3.08 1.50 0.17 0.00 -7.23 -1.11 -5.08 120.40 105.58 1sng s VAL 27 Ca 0.10 -0.84 -0.23 0.00 -1.81 0.00 0.00 61.98 59.20 1sng s VAL 27 Cb 0.14 -1.26 0.06 0.00 0.56 0.00 0.00 36.38 35.88 1sng s VAL 27 CO 0.49 0.40 1.59 -0.65 -0.31 0.00 0.00 175.10 176.62 1sng h PRO 28 N 5.60 -0.24 -0.67 4.82 0.11 -1.86 -1.81 132.00 137.96 1sng h PRO 28 Ca -0.38 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1sng h PRO 28 Cb 1.15 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1sng h PRO 28 CO 0.48 -0.16 0.00 -0.25 -0.21 0.00 0.00 178.00 177.86 1sng n ASP 29 N -5.42 4.24 -1.25 -2.05 8.00 -1.26 -4.95 116.55 113.86 1sng n ASP 29 Ca 0.01 -2.26 -0.14 0.00 0.71 0.00 0.00 54.79 53.11 1sng n ASP 29 Cb 0.35 -0.53 -0.05 0.00 -0.02 0.00 0.00 41.12 40.87 1sng n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sng n GLY 30 N 1.31 1.04 3.61 0.44 0.00 -0.68 -4.79 105.19 106.12 1sng n GLY 30 Ca 0.24 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1sng n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sng s GLU 31 N -3.62 3.91 -0.05 1.61 2.12 -1.26 -4.69 118.70 116.73 1sng s GLU 31 Ca 0.00 0.59 -0.04 0.00 0.36 0.00 0.00 54.97 55.88 1sng s GLU 31 Cb 0.00 -3.76 0.01 0.00 0.26 0.00 0.00 34.13 30.64 1sng s GLU 31 CO 0.00 -0.79 0.13 0.08 -0.54 0.00 0.00 175.26 174.13 1sng s VAL 32 N 3.17 0.00 0.01 3.70 1.01 -0.58 -4.98 120.40 122.72 1sng s VAL 32 Ca 0.35 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.31 1sng s VAL 32 Cb -0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 1sng s VAL 32 CO 0.15 -0.01 -0.03 -0.51 0.00 0.00 0.00 175.10 174.69 1sng s ILE 33 N 0.01 0.24 0.22 2.22 2.07 -1.26 -0.49 121.20 124.21 1sng s ILE 33 Ca -0.01 -0.31 -0.22 0.00 -1.41 0.00 0.00 60.65 58.70 1sng s ILE 33 Cb -0.01 -0.24 0.06 0.00 0.13 0.00 0.00 42.46 42.40 1sng s ILE 33 CO 0.00 -0.05 0.93 -1.66 -1.91 0.00 0.00 174.94 172.25 1sng s TRP 34 N -0.37 -0.02 -0.34 3.50 1.48 -1.01 -4.64 118.94 117.55 1sng s TRP 34 Ca -0.02 -0.40 -0.00 0.00 -1.06 0.00 0.00 56.10 54.62 1sng s TRP 34 Cb -0.03 0.70 0.08 0.00 -1.16 0.00 0.00 33.47 33.06 1sng s TRP 34 CO -0.00 -1.04 0.06 0.45 -4.06 0.00 0.00 176.95 172.36 1sng s SER 35 N -3.12 4.93 0.40 -2.66 0.15 -1.26 -0.96 113.70 111.18 1sng s SER 35 Ca 0.16 -1.68 0.11 0.00 0.70 0.00 0.00 55.95 55.23 1sng s SER 35 Cb -0.03 -1.71 0.91 0.00 -1.71 0.00 0.00 66.02 63.48 1sng s SER 35 CO 0.05 -0.36 1.95 -0.65 1.20 0.00 0.00 173.24 175.44 1sng h PRO 36 N 7.91 0.54 0.12 5.44 0.11 -1.74 -1.52 132.00 142.87 1sng h PRO 36 Ca -0.15 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.94 1sng h PRO 36 Cb 1.05 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.00 1sng h PRO 36 CO 0.57 0.36 -0.29 -0.92 -0.21 0.00 0.00 178.00 177.51 1sng h TYR 37 N 0.56 -0.77 -0.37 0.65 5.03 -1.36 0.06 116.97 120.76 1sng h TYR 37 Ca 0.32 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.62 1sng h TYR 37 Cb 0.50 0.32 -0.02 0.00 1.55 0.00 0.00 36.73 39.09 1sng h TYR 37 CO -0.00 -0.39 0.14 0.77 -1.32 0.00 0.00 178.16 177.36 1sng h SER 38 N -0.50 0.52 -0.20 -2.11 0.02 -1.71 -3.16 113.55 106.41 1sng h SER 38 Ca 0.03 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.71 1sng h SER 38 Cb 0.53 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 1sng h SER 38 CO -0.17 0.56 -0.24 0.58 -1.14 0.00 0.00 176.83 176.42 1sng h VAL 39 N 0.46 1.33 0.00 2.27 2.07 -1.27 -1.02 116.25 120.09 1sng h VAL 39 Ca 0.12 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1sng h VAL 39 Cb 0.21 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1sng h VAL 39 CO -0.01 0.44 0.00 0.00 0.02 0.00 0.00 177.57 178.02 1sng n ALA 40 N -2.46 0.91 0.00 1.67 0.00 0.00 -0.83 120.51 119.80 1sng n ALA 40 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1sng n ALA 40 Cb 0.43 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1sng n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sng n ALA 42 N 0.49 0.00 0.00 0.00 0.00 -0.39 -0.25 120.51 120.36 1sng n ALA 42 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1sng n ALA 42 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 1sng n ALA 42 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1sng h LEU 43 N 0.00 0.51 -0.43 0.00 3.38 -1.24 -1.63 115.31 115.90 1sng h LEU 43 Ca 0.00 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1sng h LEU 43 Cb 0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1sng h LEU 43 CO 0.00 0.69 0.04 1.23 0.09 0.00 0.00 178.44 180.48 1sng h GLY 44 N 0.96 0.79 0.94 0.83 0.00 -0.85 0.81 103.07 106.55 1sng h GLY 44 Ca 0.08 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 1sng h GLY 44 CO 0.04 0.51 0.16 -2.08 0.00 0.00 0.00 176.54 175.17 1sng h VAL 45 N 0.57 1.17 -0.73 4.60 2.07 -1.76 -0.89 116.25 121.29 1sng h VAL 45 Ca 0.13 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1sng h VAL 45 Cb 0.43 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1sng h VAL 45 CO 0.01 0.19 0.36 -0.07 0.02 0.00 0.00 177.57 178.08 1sng h LEU 46 N 0.44 0.92 -1.12 2.57 3.38 -1.19 -2.35 115.31 117.96 1sng h LEU 46 Ca 0.12 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1sng h LEU 46 Cb 0.14 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1sng h LEU 46 CO -0.01 0.77 0.48 0.00 0.09 0.00 0.00 178.44 179.77 1sng h ALA 47 N 1.37 1.34 -0.29 1.53 0.00 -0.43 -0.86 119.26 121.93 1sng h ALA 47 Ca 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1sng h ALA 47 Cb 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1sng h ALA 47 CO -0.03 0.57 0.10 0.00 0.00 0.00 0.00 179.25 179.88 1sng h ALA 48 N 1.43 1.63 -0.01 0.00 0.00 -0.64 -2.38 119.26 119.29 1sng h ALA 48 Ca 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1sng h ALA 48 Cb -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1sng h ALA 48 CO -0.05 0.29 -0.21 0.41 0.00 0.00 0.00 179.25 179.69 1sng n GLY 49 N -1.23 -0.29 3.95 0.00 0.00 -0.78 -4.84 105.19 102.00 1sng n GLY 49 Ca 0.01 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 1sng n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sng s ALA 50 N -2.35 3.77 0.24 4.61 0.00 -0.40 -0.63 121.76 127.01 1sng s ALA 50 Ca 0.27 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1sng s ALA 50 Cb 0.20 -1.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 1sng s ALA 50 CO 0.47 0.07 0.10 1.03 0.00 0.00 0.00 175.76 177.43 1sng s ARG 51 N -4.19 1.34 4.59 0.00 1.81 -0.55 -4.66 118.95 117.29 1sng s ARG 51 Ca 0.38 -1.71 0.00 0.00 -1.72 0.00 0.00 55.73 52.68 1sng s ARG 51 Cb -0.09 -0.13 0.00 0.00 -0.45 0.00 0.00 34.95 34.27 1sng s ARG 51 CO 0.34 -0.31 0.00 0.00 -0.68 0.00 0.00 175.30 174.65 1sng n ALA 52 N -0.40 0.00 0.05 2.13 0.00 -1.26 -2.29 120.51 118.74 1sng n ALA 52 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1sng n ALA 52 Cb 0.66 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.52 1sng n ALA 52 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1sng h THR 53 N 0.00 1.13 -0.43 0.00 2.02 -1.97 -1.27 112.91 112.40 1sng h THR 53 Ca 0.00 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 1sng h THR 53 Cb 0.00 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1sng h THR 53 CO 0.00 0.16 0.21 0.74 0.37 0.00 0.00 175.52 177.00 1sng h THR 54 N 0.41 1.18 -0.33 3.16 2.02 -1.80 -1.43 112.91 116.13 1sng h THR 54 Ca 0.10 -0.51 -0.08 0.00 0.77 0.00 0.00 66.41 66.69 1sng h THR 54 Cb 0.14 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1sng h THR 54 CO -0.01 0.19 -0.12 -0.09 0.37 0.00 0.00 175.52 175.87 1sng h ARG 55 N 0.55 0.67 -0.64 6.66 2.43 -1.02 -3.09 114.38 119.95 1sng h ARG 55 Ca 0.15 -0.28 0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1sng h ARG 55 Cb 0.12 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1sng h ARG 55 CO -0.02 0.86 0.42 1.15 -1.51 0.00 0.00 179.97 180.87 1sng h THR 56 N 0.45 1.17 -0.97 0.20 2.02 -1.08 -0.54 112.91 114.16 1sng h THR 56 Ca 0.08 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 66.98 1sng h THR 56 Cb 0.64 0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 1sng h THR 56 CO 0.04 0.16 0.64 -0.33 0.37 0.00 0.00 175.52 176.40 1sng h GLU 57 N 0.86 1.23 -0.10 6.66 5.08 -1.30 -0.52 114.58 126.49 1sng h GLU 57 Ca 0.23 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1sng h GLU 57 Cb -0.09 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 28.87 1sng h GLU 57 CO -0.05 0.81 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.65 1sng h LEU 58 N 1.27 0.23 -1.28 1.33 3.38 -1.31 -2.27 115.31 116.66 1sng h LEU 58 Ca 0.37 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1sng h LEU 58 Cb -0.07 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1sng h LEU 58 CO -0.10 0.60 -0.35 0.71 0.09 0.00 0.00 178.44 179.39 1sng h THR 59 N -0.15 1.12 -0.28 0.22 1.35 -0.96 -0.85 112.91 113.36 1sng h THR 59 Ca 0.02 -1.25 -0.06 0.00 -0.55 0.00 0.00 66.41 64.57 1sng h THR 59 Cb 0.52 1.70 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 1sng h THR 59 CO 0.02 0.34 -0.06 0.74 -0.25 0.00 0.00 175.52 176.30 1sng h THR 60 N 0.00 1.28 -0.30 6.82 2.02 -1.07 0.11 112.91 121.77 1sng h THR 60 Ca -0.00 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.08 1sng h THR 60 Cb 0.67 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 1sng h THR 60 CO 0.05 0.34 0.13 0.25 0.37 0.00 0.00 175.52 176.66 1sng h LEU 61 N 0.29 0.40 -0.82 2.58 5.85 -0.98 -2.92 115.31 119.72 1sng h LEU 61 Ca 0.07 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1sng h LEU 61 Cb 0.54 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1sng h LEU 61 CO 0.03 0.44 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.24 1sng h LEU 62 N 0.34 0.00 0.14 2.25 3.38 -1.18 -3.43 115.31 116.81 1sng h LEU 62 Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1sng h LEU 62 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1sng h LEU 62 CO -0.01 0.26 -0.05 0.61 0.09 0.00 0.00 178.44 179.33 1sng n GLY 63 N 0.43 0.61 3.52 0.83 0.00 0.34 -4.58 105.19 106.35 1sng n GLY 63 Ca 0.01 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 1sng n GLY 63 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1sng s THR 64 N -2.07 0.00 0.57 2.61 -1.32 -0.93 -4.94 115.64 109.55 1sng s THR 64 Ca 0.00 -0.01 -0.19 0.00 -1.21 0.00 0.00 61.69 60.28 1sng s THR 64 Cb 0.00 -1.02 -0.05 0.00 -1.51 0.00 0.00 72.50 69.93 1sng s THR 64 CO 0.00 0.00 1.15 -1.81 -2.21 0.00 0.00 174.62 171.75 1sng s ASP 65 N -2.46 5.49 0.14 8.08 1.11 -1.26 -4.56 116.67 123.21 1sng s ASP 65 Ca 0.05 2.23 -0.14 0.00 0.18 0.00 0.00 52.55 54.87 1sng s ASP 65 Cb -0.01 -2.58 0.02 0.00 1.07 0.00 0.00 42.92 41.41 1sng s ASP 65 CO -0.08 -1.38 1.68 1.55 1.18 0.00 0.00 175.17 178.11 1sng h PRO 66 N 1.00 0.71 -0.16 8.23 0.13 -1.93 -3.28 132.00 136.70 1sng h PRO 66 Ca -0.50 -0.15 0.04 0.00 -0.87 0.00 0.00 66.00 64.53 1sng h PRO 66 Cb 1.27 -0.11 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 1sng h PRO 66 CO 0.56 0.67 -0.45 0.00 -0.23 0.00 0.00 178.00 178.55 1sng h ALA 67 N 1.01 -0.63 0.00 -0.56 0.00 -1.93 0.84 119.26 117.98 1sng h ALA 67 Ca 0.15 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1sng h ALA 67 Cb 0.24 0.84 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1sng h ALA 67 CO -0.01 -0.95 -0.27 -1.00 0.00 0.00 0.00 179.25 177.02 1sng h PRO 68 N -0.49 0.00 -0.14 0.00 0.13 -1.99 -2.77 132.00 126.74 1sng h PRO 68 Ca 0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.16 1sng h PRO 68 Cb 0.63 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.76 1sng h PRO 68 CO -0.43 0.27 -0.08 1.25 -0.23 0.00 0.00 178.00 178.78 1sng h LEU 69 N 0.00 0.31 -0.60 1.56 5.85 -1.24 -2.91 115.31 118.28 1sng h LEU 69 Ca -0.00 -0.43 -0.05 0.00 0.84 0.00 0.00 57.88 58.24 1sng h LEU 69 Cb 0.52 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1sng h LEU 69 CO 0.04 0.67 0.18 -0.07 -0.34 0.00 0.00 178.44 178.91 1sng h LEU 70 N -0.05 0.88 -0.44 2.25 3.38 -0.81 0.31 115.31 120.83 1sng h LEU 70 Ca 0.03 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.86 1sng h LEU 70 Cb 0.56 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 1sng h LEU 70 CO 0.02 0.86 0.03 0.00 0.09 0.00 0.00 178.44 179.45 1sng h ALA 71 N 1.05 0.44 -0.42 1.53 0.00 -1.55 -1.57 119.26 118.74 1sng h ALA 71 Ca 0.19 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 1sng h ALA 71 Cb 0.30 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1sng h ALA 71 CO -0.00 -0.36 -0.22 0.00 0.00 0.00 0.00 179.25 178.67 1sng h ALA 72 N 1.37 0.82 -0.34 0.00 0.00 -1.24 -3.24 119.26 116.63 1sng h ALA 72 Ca 0.22 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1sng h ALA 72 Cb 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1sng h ALA 72 CO -0.33 0.65 -0.29 -0.07 0.00 0.00 0.00 179.25 179.20 1sng h LEU 73 N 0.73 0.73 -0.68 0.00 3.38 -0.48 -3.19 115.31 115.81 1sng h LEU 73 Ca 0.10 -0.29 0.13 0.00 0.09 0.00 0.00 57.88 57.92 1sng h LEU 73 Cb 0.75 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.21 1sng h LEU 73 CO 0.06 0.98 0.19 0.44 0.09 0.00 0.00 178.44 180.20 1sng h ASP 74 N 0.61 0.09 -0.02 -0.43 3.32 -1.32 -0.46 116.42 118.21 1sng h ASP 74 Ca 0.07 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1sng h ASP 74 Cb 0.80 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.49 1sng h ASP 74 CO 0.07 0.03 0.01 0.03 -1.72 0.00 0.00 179.24 177.66 1sng h ARG 75 N 0.32 0.00 0.00 3.56 3.08 -1.69 -2.68 114.38 116.97 1sng h ARG 75 Ca 0.37 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.41 1sng h ARG 75 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 1sng h ARG 75 CO -0.42 0.00 -0.02 0.00 -1.07 0.00 0.00 179.97 178.46 1sng h ALA 76 N 1.99 1.51 -0.00 0.04 0.00 -1.19 -3.13 119.26 118.47 1sng h ALA 76 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sng h ALA 76 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1sng h ALA 76 CO -0.00 0.02 -0.06 1.33 0.00 0.00 0.00 179.25 180.55 1sng n VAL 77 N -3.84 0.00 -2.25 0.00 0.24 -1.02 -4.81 118.33 106.64 1sng n VAL 77 Ca -0.03 -0.47 -0.33 0.00 -2.04 0.00 0.00 64.34 61.47 1sng n VAL 77 Cb 0.10 1.02 -0.01 0.00 -1.47 0.00 0.00 33.84 33.48 1sng n VAL 77 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1sng s THR 78 N -0.81 4.05 -1.46 3.34 -4.23 -1.17 -3.76 115.64 111.61 1sng s THR 78 Ca 0.01 1.03 -0.07 0.00 -1.18 0.00 0.00 61.69 61.48 1sng s THR 78 Cb 0.02 -3.50 0.05 0.00 1.34 0.00 0.00 72.50 70.40 1sng s THR 78 CO 0.06 -0.52 0.73 0.47 -0.54 0.00 0.00 174.62 174.82 1sng n ASP 79 N -1.70 -2.41 -3.72 3.99 8.00 -1.26 -4.96 116.55 114.49 1sng n ASP 79 Ca 0.08 -0.88 -0.30 0.00 0.71 0.00 0.00 54.79 54.41 1sng n ASP 79 Cb 0.53 -3.58 -0.13 0.00 -0.02 0.00 0.00 41.12 37.92 1sng n ASP 79 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1sng s SER 80 N -3.88 3.74 0.61 -2.24 0.15 -1.25 -4.99 113.70 105.84 1sng s SER 80 Ca 0.32 -2.42 0.38 0.00 0.70 0.00 0.00 55.95 54.92 1sng s SER 80 Cb -0.16 -1.01 2.00 0.00 -1.71 0.00 0.00 66.02 65.14 1sng s SER 80 CO 0.85 -0.30 2.24 -0.65 1.20 0.00 0.00 173.24 176.59 1sng h PRO 81 N 7.01 0.00 -0.63 5.44 0.11 -1.93 -2.73 132.00 139.28 1sng h PRO 81 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1sng h PRO 81 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1sng h PRO 81 CO 0.48 0.02 0.00 -0.25 -0.21 0.00 0.00 178.00 178.04 1sng n ASP 82 N -3.30 3.58 -4.72 -2.05 8.00 -1.26 -4.90 116.55 111.90 1sng n ASP 82 Ca -0.02 -2.11 -0.31 0.00 0.71 0.00 0.00 54.79 53.06 1sng n ASP 82 Cb 0.14 -0.45 -0.08 0.00 -0.02 0.00 0.00 41.12 40.71 1sng n ASP 82 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1sng s LEU 83 N -1.19 3.60 -0.09 0.64 1.43 -1.03 -3.31 118.68 118.73 1sng s LEU 83 Ca 0.42 -0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.41 1sng s LEU 83 Cb 0.24 -2.28 0.04 0.00 0.03 0.00 0.00 46.19 44.22 1sng s LEU 83 CO 0.26 0.19 0.05 0.00 0.23 0.00 0.00 176.35 177.08 1sng s ALA 84 N -1.31 0.46 0.02 4.21 0.00 -0.06 -5.00 121.76 120.08 1sng s ALA 84 Ca 0.26 -0.07 0.08 0.00 0.00 0.00 0.00 51.96 52.23 1sng s ALA 84 Cb -0.12 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 1sng s ALA 84 CO 0.19 -0.69 -0.23 0.45 0.00 0.00 0.00 175.76 175.48 1sng s SER 85 N 2.09 2.73 -0.18 0.00 0.15 -1.26 -0.78 113.70 116.45 1sng s SER 85 Ca 0.04 -0.49 -0.11 0.00 0.70 0.00 0.00 55.95 56.09 1sng s SER 85 Cb -0.13 -0.26 0.06 0.00 -1.71 0.00 0.00 66.02 63.97 1sng s SER 85 CO -0.05 0.23 0.44 -0.60 1.20 0.00 0.00 173.24 174.46 1sng s ARG 86 N -0.93 0.44 -0.03 5.44 6.06 -0.81 -4.81 118.95 124.30 1sng s ARG 86 Ca 0.09 0.79 0.01 0.00 -2.50 0.00 0.00 55.73 54.12 1sng s ARG 86 Cb -0.09 0.04 0.02 0.00 0.06 0.00 0.00 34.95 34.98 1sng s ARG 86 CO 0.01 -0.14 -0.05 0.99 -2.50 0.00 0.00 175.30 173.61 1sng s THR 87 N 1.20 0.51 -0.03 4.11 2.01 -0.98 -1.04 115.64 121.42 1sng s THR 87 Ca -0.08 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 61.79 1sng s THR 87 Cb -0.07 -0.52 0.02 0.00 0.01 0.00 0.00 72.50 71.94 1sng s THR 87 CO -0.11 0.20 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.32 1sng s VAL 88 N 0.70 0.29 -0.40 3.82 1.01 -0.30 -1.38 120.40 124.13 1sng s VAL 88 Ca -0.09 -0.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.68 1sng s VAL 88 Cb -0.12 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 35.93 1sng s VAL 88 CO 0.00 0.16 0.64 -0.22 0.00 0.00 0.00 175.10 175.68 1sng s LEU 89 N 0.84 4.39 -0.25 3.92 2.96 -0.71 -1.15 118.68 128.67 1sng s LEU 89 Ca -0.09 -0.13 -0.17 0.00 -0.22 0.00 0.00 54.13 53.52 1sng s LEU 89 Cb -0.12 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.78 1sng s LEU 89 CO -0.01 -0.71 0.47 0.26 -1.32 0.00 0.00 176.35 175.04 1sng s TRP 90 N 2.79 3.29 0.03 5.38 0.52 0.18 -1.04 118.94 130.10 1sng s TRP 90 Ca 0.24 0.60 0.08 0.00 0.02 0.00 0.00 56.10 57.03 1sng s TRP 90 Cb -0.14 -2.65 -0.02 0.00 -1.15 0.00 0.00 33.47 29.50 1sng s TRP 90 CO 0.17 -0.21 -0.22 0.14 0.02 0.00 0.00 176.95 176.85 1sng s VAL 91 N 2.04 1.80 0.46 4.03 -7.23 0.17 -1.55 120.40 120.13 1sng s VAL 91 Ca 0.20 -1.20 -0.24 0.00 -1.81 0.00 0.00 61.98 58.92 1sng s VAL 91 Cb -0.16 -1.55 -0.09 0.00 0.56 0.00 0.00 36.38 35.15 1sng s VAL 91 CO 0.09 0.30 1.22 -1.54 -0.31 0.00 0.00 175.10 174.86 1sng n SER 92 N 1.95 2.24 0.29 4.85 3.41 -0.07 -0.84 113.62 125.44 1sng n SER 92 Ca -0.17 1.05 0.14 0.00 -0.26 0.00 0.00 58.87 59.63 1sng n SER 92 Cb 0.53 -1.48 0.86 0.00 -0.26 0.00 0.00 64.21 63.86 1sng n SER 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sng h ALA 93 N 1.75 1.44 0.00 7.33 0.00 -1.89 -1.52 119.26 126.37 1sng h ALA 93 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1sng h ALA 93 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1sng h ALA 93 CO 0.58 0.05 0.00 -0.25 0.00 0.00 0.00 179.25 179.63 1sng n ASP 94 N -3.78 0.30 -4.42 0.00 8.00 -1.26 -4.69 116.55 110.70 1sng n ASP 94 Ca -0.03 0.54 -0.38 0.00 0.71 0.00 0.00 54.79 55.64 1sng n ASP 94 Cb 0.13 -0.62 -0.12 0.00 -0.02 0.00 0.00 41.12 40.49 1sng n ASP 94 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1sng s VAL 95 N -3.07 4.46 0.31 2.53 1.01 -0.57 -5.08 120.40 119.98 1sng s VAL 95 Ca 0.10 -0.47 -0.27 0.00 0.00 0.00 0.00 61.98 61.34 1sng s VAL 95 Cb 0.14 -3.27 -0.09 0.00 0.00 0.00 0.00 36.38 33.15 1sng s VAL 95 CO 0.46 0.08 1.01 -2.16 0.00 0.00 0.00 175.10 174.49 1sng s PRO 96 N 1.59 4.56 -0.11 2.72 0.04 -1.26 -4.78 135.00 137.75 1sng s PRO 96 Ca 0.04 1.53 0.01 0.00 0.04 0.00 0.00 61.00 62.61 1sng s PRO 96 Cb -0.17 -2.94 -0.02 0.00 0.04 0.00 0.00 34.50 31.41 1sng s PRO 96 CO 0.05 0.21 -0.13 0.08 0.04 0.00 0.00 177.00 177.26 1sng s VAL 97 N -1.42 3.13 0.37 -0.36 1.01 -1.26 -4.06 120.40 117.80 1sng s VAL 97 Ca 0.49 -0.65 -0.27 0.00 0.00 0.00 0.00 61.98 61.54 1sng s VAL 97 Cb -0.24 -2.29 -0.10 0.00 0.00 0.00 0.00 36.38 33.75 1sng s VAL 97 CO 0.31 0.54 1.30 -0.13 0.00 0.00 0.00 175.10 177.12 1sng s ARG 98 N 0.03 4.17 0.28 2.72 0.52 0.40 -4.91 118.95 122.14 1sng s ARG 98 Ca -0.04 2.17 -0.03 0.00 -0.52 0.00 0.00 55.73 57.32 1sng s ARG 98 Cb -0.14 -2.91 0.37 0.00 0.52 0.00 0.00 34.95 32.79 1sng s ARG 98 CO 0.04 -0.33 1.88 0.77 0.02 0.00 0.00 175.30 177.68 1sng h SER 99 N 3.02 0.92 -0.44 0.23 0.02 -1.93 -1.75 113.55 113.62 1sng h SER 99 Ca -0.49 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.34 1sng h SER 99 Cb 1.24 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 1sng h SER 99 CO 0.64 0.77 0.22 0.77 -1.14 0.00 0.00 176.83 178.09 1sng h SER 100 N 1.02 0.62 -0.14 3.07 4.64 -1.92 -0.27 113.55 120.57 1sng h SER 100 Ca 0.25 -0.06 -0.13 0.00 -0.47 0.00 0.00 61.79 61.38 1sng h SER 100 Cb 0.08 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1sng h SER 100 CO -0.03 0.54 -0.42 0.15 -0.87 0.00 0.00 176.83 176.19 1sng h PHE 101 N 0.68 0.70 -0.94 4.77 3.57 -1.59 -1.86 116.94 122.27 1sng h PHE 101 Ca 0.17 -0.28 0.16 0.00 3.53 0.00 0.00 57.97 61.55 1sng h PHE 101 Cb 0.10 -0.12 -0.10 0.00 2.79 0.00 0.00 35.95 38.63 1sng h PHE 101 CO 0.01 1.03 0.55 0.00 -2.23 0.00 0.00 178.31 177.67 1sng h ARG 102 N 0.16 0.73 -0.30 1.11 3.08 -1.03 -1.56 114.38 116.57 1sng h ARG 102 Ca -0.01 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1sng h ARG 102 Cb 1.04 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 1sng h ARG 102 CO 0.09 0.48 0.08 0.00 -1.07 0.00 0.00 179.97 179.55 1sng h ALA 103 N 1.59 0.40 -0.68 0.04 0.00 -0.89 0.11 119.26 119.83 1sng h ALA 103 Ca 0.52 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.32 1sng h ALA 103 Cb 0.73 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1sng h ALA 103 CO -0.35 0.06 0.38 1.15 0.00 0.00 0.00 179.25 180.48 1sng h THR 104 N 0.33 0.97 -0.35 0.00 2.02 -0.78 -0.67 112.91 114.43 1sng h THR 104 Ca 0.10 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 1sng h THR 104 Cb 0.29 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1sng h THR 104 CO 0.00 0.13 0.01 -0.03 0.37 0.00 0.00 175.52 175.99 1sng h MET 105 N 0.70 0.62 0.00 6.66 -1.53 -1.15 -3.11 114.93 117.12 1sng h MET 105 Ca 0.30 -0.19 -0.03 0.00 -3.44 0.00 0.00 59.70 56.34 1sng h MET 105 Cb 0.18 -0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 31.17 1sng h MET 105 CO -0.18 0.73 -0.14 1.25 0.14 0.00 0.00 176.91 178.71 1sng h HIS 106 N 0.43 0.00 0.00 1.39 6.17 -0.27 -1.99 115.15 120.89 1sng h HIS 106 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.18 1sng h HIS 106 Cb 0.45 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.38 1sng h HIS 106 CO 0.04 0.14 0.00 -0.44 0.71 0.00 0.00 177.93 178.37 1sng h ASP 107 N 0.00 0.00 -3.54 3.26 3.32 -1.07 -3.43 116.42 114.96 1sng h ASP 107 Ca -0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1sng h ASP 107 Cb 0.30 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1sng h ASP 107 CO 0.02 0.00 -0.04 -0.13 -1.72 0.00 0.00 179.24 177.37 1sng s ARG 108 N -3.42 3.87 0.19 3.56 1.81 -0.75 -5.03 118.95 119.18 1sng s ARG 108 Ca 0.03 0.41 -0.30 0.00 -1.72 0.00 0.00 55.73 54.15 1sng s ARG 108 Cb 0.09 -2.57 -0.09 0.00 -0.45 0.00 0.00 34.95 31.93 1sng s ARG 108 CO 0.41 0.26 1.37 -2.14 -0.68 0.00 0.00 175.30 174.52 1sng s PRO 109 N -2.89 4.34 -1.36 3.54 0.02 -1.26 -3.73 135.00 133.65 1sng s PRO 109 Ca 0.50 2.13 -0.05 0.00 0.02 0.00 0.00 61.00 63.60 1sng s PRO 109 Cb -0.11 -3.19 0.02 0.00 0.02 0.00 0.00 34.50 31.25 1sng s PRO 109 CO 0.20 -0.35 0.85 -0.25 -0.33 0.00 0.00 177.00 177.12 1sng n ASP 110 N 2.94 -2.67 -4.12 2.53 8.00 -1.26 -4.80 116.55 117.17 1sng n ASP 110 Ca 0.08 -0.77 -0.19 0.00 0.71 0.00 0.00 54.79 54.63 1sng n ASP 110 Cb 0.42 -4.19 -0.13 0.00 -0.02 0.00 0.00 41.12 37.20 1sng n ASP 110 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1sng s SER 111 N -3.99 1.46 0.19 -2.24 0.01 -1.24 -2.33 113.70 105.55 1sng s SER 111 Ca 0.23 -0.44 -0.15 0.00 1.31 0.00 0.00 55.95 56.90 1sng s SER 111 Cb -0.11 -0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.05 1sng s SER 111 CO 0.80 0.00 0.46 -0.62 0.41 0.00 0.00 173.24 174.29 1sng s ASP 112 N -1.12 -0.17 -0.17 2.44 -1.08 -0.48 -4.39 116.67 111.72 1sng s ASP 112 Ca -0.00 -0.61 0.00 0.00 -0.52 0.00 0.00 52.55 51.42 1sng s ASP 112 Cb -0.08 0.54 0.00 0.00 -1.46 0.00 0.00 42.92 41.93 1sng s ASP 112 CO 0.01 -1.02 -0.16 -0.69 0.52 0.00 0.00 175.17 173.83 1sng s VAL 113 N -3.91 2.51 0.14 1.11 1.01 -1.26 -1.74 120.40 118.26 1sng s VAL 113 Ca 0.12 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.37 1sng s VAL 113 Cb 0.00 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1sng s VAL 113 CO -0.01 0.52 -0.18 -0.13 0.00 0.00 0.00 175.10 175.29 1sng s ARG 114 N 1.01 1.20 0.03 2.72 0.52 -0.21 -4.96 118.95 119.26 1sng s ARG 114 Ca -0.02 -1.32 -0.16 0.00 -0.52 0.00 0.00 55.73 53.71 1sng s ARG 114 Cb -0.15 -1.30 -0.06 0.00 0.52 0.00 0.00 34.95 33.97 1sng s ARG 114 CO -0.04 0.27 0.47 0.99 0.02 0.00 0.00 175.30 177.01 1sng s THR 115 N -1.80 4.92 -0.02 0.02 2.01 -1.26 -0.65 115.64 118.86 1sng s THR 115 Ca 0.12 0.97 0.00 0.00 0.31 0.00 0.00 61.69 63.10 1sng s THR 115 Cb -0.07 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.68 1sng s THR 115 CO 0.06 0.56 0.00 0.00 -0.69 0.00 0.00 174.62 174.55 1sng s ALA 116 N -1.10 0.20 -1.24 7.40 0.00 -0.02 -4.85 121.76 122.14 1sng s ALA 116 Ca 0.26 0.14 -0.14 0.00 0.00 0.00 0.00 51.96 52.22 1sng s ALA 116 Cb -0.18 -0.22 0.15 0.00 0.00 0.00 0.00 23.12 22.88 1sng s ALA 116 CO 0.16 -0.05 1.57 -0.25 0.00 0.00 0.00 175.76 177.18 1sng n ASP 117 N 3.82 5.12 -0.35 0.00 9.92 -1.26 -2.89 116.55 130.92 1sng n ASP 117 Ca -0.23 -2.98 -0.02 0.00 -0.53 0.00 0.00 54.79 51.03 1sng n ASP 117 Cb 0.53 -1.59 0.11 0.00 -0.64 0.00 0.00 41.12 39.53 1sng n ASP 117 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 1sng h PHE 118 N 7.01 1.15 -0.52 1.24 -1.00 -1.86 -2.91 116.94 120.04 1sng h PHE 118 Ca 0.36 0.03 -0.11 0.00 2.81 0.00 0.00 57.97 61.06 1sng h PHE 118 Cb 0.83 -0.39 -0.02 0.00 3.61 0.00 0.00 35.95 39.99 1sng h PHE 118 CO 1.19 0.69 -0.09 -0.09 -1.61 0.00 0.00 178.31 178.40 1sng h ARG 119 N 1.22 0.97 0.02 1.51 9.65 -1.85 -3.20 114.38 122.69 1sng h ARG 119 Ca 0.36 -0.34 -0.31 0.00 -1.10 0.00 0.00 59.98 58.59 1sng h ARG 119 Cb -0.07 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.39 1sng h ARG 119 CO -0.10 1.01 -1.81 0.25 2.80 0.00 0.00 179.97 182.13 1sng n THR 120 N -4.15 1.61 -3.12 0.20 -2.24 -1.20 -4.76 114.28 100.62 1sng n THR 120 Ca 0.02 -0.78 -0.16 0.00 -2.27 0.00 0.00 64.05 60.86 1sng n THR 120 Cb 0.39 -1.09 -0.05 0.00 -2.10 0.00 0.00 70.33 67.48 1sng n THR 120 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1sng s ASN 121 N -6.17 0.11 0.19 3.42 3.04 -1.10 -5.02 114.94 109.40 1sng s ASN 121 Ca -0.08 -2.30 -0.11 0.00 0.04 0.00 0.00 52.86 50.42 1sng s ASN 121 Cb 0.08 0.72 0.18 0.00 -1.54 0.00 0.00 41.25 40.68 1sng s ASN 121 CO 0.82 -0.13 1.81 -0.65 -3.04 0.00 0.00 177.10 175.90 1sng h PRO 122 N 5.55 0.62 -0.07 0.43 0.11 -1.77 -1.12 132.00 135.75 1sng h PRO 122 Ca 0.15 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.10 1sng h PRO 122 Cb 1.02 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 1sng h PRO 122 CO 0.19 0.41 -0.53 0.93 -0.21 0.00 0.00 178.00 178.79 1sng h GLU 123 N 0.64 0.19 -0.47 1.05 4.39 -1.92 -0.21 114.58 118.25 1sng h GLU 123 Ca 0.26 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.79 1sng h GLU 123 Cb 0.12 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1sng h GLU 123 CO -0.15 0.68 0.09 0.78 -1.16 0.00 0.00 179.01 179.25 1sng h GLY 124 N 1.44 0.82 0.95 -3.84 0.00 -1.90 -1.62 103.07 98.92 1sng h GLY 124 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 1sng h GLY 124 CO 0.08 0.49 0.16 -2.08 0.00 0.00 0.00 176.54 175.20 1sng h VAL 125 N 0.63 1.13 -0.66 4.60 2.07 -0.94 -1.43 116.25 121.67 1sng h VAL 125 Ca 0.14 -0.36 0.09 0.00 0.82 0.00 0.00 66.70 67.39 1sng h VAL 125 Cb 0.36 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 1sng h VAL 125 CO 0.01 0.14 0.30 -0.09 0.02 0.00 0.00 177.57 177.94 1sng h ARG 126 N 0.37 0.50 -0.60 1.57 2.43 -0.91 0.89 114.38 118.64 1sng h ARG 126 Ca 0.11 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1sng h ARG 126 Cb 0.07 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1sng h ARG 126 CO -0.02 0.33 0.25 0.00 -1.51 0.00 0.00 179.97 179.02 1sng h ALA 127 N 1.42 0.77 -0.20 2.80 0.00 -1.03 -0.24 119.26 122.79 1sng h ALA 127 Ca 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1sng h ALA 127 Cb 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sng h ALA 127 CO -0.28 0.38 0.05 1.15 0.00 0.00 0.00 179.25 180.55 1sng h THR 128 N 0.83 1.21 -0.01 0.00 2.02 -0.66 -0.60 112.91 115.68 1sng h THR 128 Ca 0.20 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.72 1sng h THR 128 Cb 0.19 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1sng h THR 128 CO -0.02 0.21 -0.02 0.58 0.37 0.00 0.00 175.52 176.64 1sng h VAL 129 N 0.13 0.94 -0.77 3.16 2.07 -0.70 -1.31 116.25 119.76 1sng h VAL 129 Ca 0.06 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 1sng h VAL 129 Cb 0.27 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1sng h VAL 129 CO 0.00 0.00 0.29 0.78 0.02 0.00 0.00 177.57 178.66 1sng h ASN 130 N -0.03 1.08 -0.13 0.57 2.35 -0.99 -2.19 115.58 116.24 1sng h ASN 130 Ca 0.02 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 55.51 1sng h ASN 130 Cb 0.05 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1sng h ASN 130 CO -0.03 0.98 -0.14 0.00 -1.65 0.00 0.00 177.43 176.58 1sng h ALA 131 N 1.15 1.22 -0.15 -0.83 0.00 -1.00 0.09 119.26 119.75 1sng h ALA 131 Ca 0.25 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1sng h ALA 131 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1sng h ALA 131 CO -0.02 0.50 0.02 0.22 0.00 0.00 0.00 179.25 179.98 1sng h ASP 132 N 0.46 0.24 -0.53 0.00 1.82 -0.82 -1.80 116.42 115.79 1sng h ASP 132 Ca 0.08 -0.27 -0.11 0.00 -0.39 0.00 0.00 57.03 56.35 1sng h ASP 132 Cb 0.51 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.44 1sng h ASP 132 CO 0.03 0.44 -0.10 0.40 -1.61 0.00 0.00 179.24 178.41 1sng h ILE 133 N 0.02 1.27 0.18 2.25 1.08 -1.31 -2.53 117.51 118.47 1sng h ILE 133 Ca 0.04 -1.25 0.01 0.00 -0.39 0.00 0.00 64.86 63.27 1sng h ILE 133 Cb 0.31 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 1sng h ILE 133 CO 0.00 0.44 -0.20 0.00 -0.69 0.00 0.00 178.15 177.70 1sng h ALA 134 N 0.92 -0.40 -0.41 1.87 0.00 -0.88 -1.04 119.26 119.33 1sng h ALA 134 Ca 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1sng h ALA 134 Cb 0.66 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1sng h ALA 134 CO 0.05 -0.75 0.12 0.22 0.00 0.00 0.00 179.25 178.88 1sng h ASP 135 N -0.43 0.60 0.31 0.00 3.58 -1.34 0.28 116.42 119.41 1sng h ASP 135 Ca 0.01 -0.22 -0.04 0.00 0.42 0.00 0.00 57.03 57.20 1sng h ASP 135 Cb 0.41 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1sng h ASP 135 CO -0.07 0.66 -0.18 0.00 -2.88 0.00 0.00 179.24 176.77 1sng h ALA 136 N 0.97 1.44 -0.50 -0.78 0.00 -1.34 -1.75 119.26 117.29 1sng h ALA 136 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sng h ALA 136 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1sng h ALA 136 CO -0.00 0.22 0.00 0.25 0.00 0.00 0.00 179.25 179.72 1sng n THR 137 N -3.95 2.31 -3.58 0.00 -2.24 -0.41 -4.41 114.28 102.01 1sng n THR 137 Ca -0.02 -1.19 -0.26 0.00 -2.27 0.00 0.00 64.05 60.31 1sng n THR 137 Cb 0.27 -0.28 0.04 0.00 -2.10 0.00 0.00 70.33 68.26 1sng n THR 137 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1sng n ARG 138 N 0.58 -5.93 -1.01 -0.78 1.74 -0.66 -1.97 116.66 108.63 1sng n ARG 138 Ca 0.24 0.72 -0.00 0.00 -0.77 0.00 0.00 57.85 58.03 1sng n ARG 138 Cb 1.04 -5.64 -0.00 0.00 -1.02 0.00 0.00 32.46 26.84 1sng n ARG 138 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sng n GLY 139 N -1.70 0.47 0.08 -0.13 0.00 0.94 -4.92 105.19 99.93 1sng n GLY 139 Ca -0.00 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.89 1sng n GLY 139 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1sng n MET 140 N -2.63 0.63 -3.82 1.61 2.81 -0.83 -4.54 117.12 110.35 1sng n MET 140 Ca -0.00 0.05 -0.30 0.00 -1.81 0.00 0.00 57.70 55.64 1sng n MET 140 Cb 0.06 -1.73 -0.14 0.00 -0.71 0.00 0.00 33.22 30.70 1sng n MET 140 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1sng s ILE 141 N -3.28 1.51 -0.13 2.02 1.01 -1.26 -5.01 121.20 116.07 1sng s ILE 141 Ca -0.03 -2.08 0.18 0.00 0.00 0.00 0.00 60.65 58.72 1sng s ILE 141 Cb 0.10 -2.10 -0.23 0.00 0.01 0.00 0.00 42.46 40.24 1sng s ILE 141 CO 0.83 -0.72 0.47 0.54 0.00 0.00 0.00 174.94 176.05 1sng n ARG 142 N 4.24 0.65 -3.20 2.79 1.74 -1.26 -3.01 116.66 118.62 1sng n ARG 142 Ca 0.03 0.05 -0.23 0.00 -0.77 0.00 0.00 57.85 56.92 1sng n ARG 142 Cb 0.39 -1.64 -0.06 0.00 -1.02 0.00 0.00 32.46 30.13 1sng n ARG 142 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1sng n GLU 143 N -2.71 0.88 -0.11 5.56 2.13 -1.26 -4.64 120.64 120.49 1sng n GLU 143 Ca -0.17 -3.34 -0.05 0.00 0.66 0.00 0.00 57.16 54.25 1sng n GLU 143 Cb 0.91 -1.35 0.01 0.00 0.27 0.00 0.00 31.44 31.28 1sng n GLU 143 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1sng h LEU 144 N 3.85 -0.25 -8.99 4.31 5.85 -1.86 -3.38 115.31 114.84 1sng h LEU 144 Ca 0.08 0.10 -0.62 0.00 0.84 0.00 0.00 57.88 58.28 1sng h LEU 144 Cb 0.88 0.19 -0.14 0.00 0.37 0.00 0.00 40.66 41.96 1sng h LEU 144 CO 0.49 -0.08 -0.28 -0.76 -0.34 0.00 0.00 178.44 177.46 1sng s LEU 145 N -10.53 4.07 0.74 2.25 1.43 -1.26 -4.98 118.68 110.39 1sng s LEU 145 Ca -0.14 0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 1sng s LEU 145 Cb 0.14 -2.38 0.03 0.00 0.03 0.00 0.00 46.19 44.01 1sng s LEU 145 CO 0.71 -0.12 1.09 -2.16 0.23 0.00 0.00 176.35 176.09 1sng s PRO 146 N 1.79 2.60 0.27 1.29 0.04 -1.26 -4.94 135.00 134.79 1sng s PRO 146 Ca 0.14 0.60 -0.31 0.00 0.04 0.00 0.00 61.00 61.48 1sng s PRO 146 Cb -0.15 -1.98 -0.13 0.00 0.04 0.00 0.00 34.50 32.28 1sng s PRO 146 CO 0.09 -1.25 1.49 0.94 0.04 0.00 0.00 177.00 178.31 1sng n GLN 147 N -3.17 2.34 -0.20 4.56 7.27 -1.26 -1.88 117.38 125.04 1sng n GLN 147 Ca 0.07 0.83 0.00 0.00 0.07 0.00 0.00 57.00 57.97 1sng n GLN 147 Cb 0.56 -2.54 0.00 0.00 2.41 0.00 0.00 30.24 30.67 1sng n GLN 147 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1sng n GLY 148 N 2.13 1.12 0.12 1.69 0.00 -1.26 -4.92 105.19 104.07 1sng n GLY 148 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 1sng n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sng h ALA 149 N 0.00 0.83 -3.04 4.61 0.00 -1.74 -3.42 119.26 116.50 1sng h ALA 149 Ca 0.00 -0.63 -0.63 0.00 0.00 0.00 0.00 54.91 53.65 1sng h ALA 149 Cb 0.00 -0.11 -0.17 0.00 0.00 0.00 0.00 17.79 17.51 1sng h ALA 149 CO 0.00 0.86 -0.55 0.08 0.00 0.00 0.00 179.25 179.65 1sng s VAL 150 N -3.44 5.00 0.22 0.00 1.01 -1.26 -5.07 120.40 116.86 1sng s VAL 150 Ca -0.01 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.10 1sng s VAL 150 Cb 0.12 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 1sng s VAL 150 CO 0.78 0.34 -0.11 0.42 0.00 0.00 0.00 175.10 176.53 1sng s THR 151 N 1.24 1.62 0.16 3.92 -4.23 -1.26 -4.71 115.64 112.37 1sng s THR 151 Ca 0.06 -2.17 0.34 0.00 -1.18 0.00 0.00 61.69 58.75 1sng s THR 151 Cb -0.14 -2.14 0.37 0.00 1.34 0.00 0.00 72.50 71.92 1sng s THR 151 CO 0.05 -0.52 2.03 -0.65 -0.54 0.00 0.00 174.62 174.99 1sng h PRO 152 N 2.51 0.00 0.00 3.99 0.11 -1.88 -2.97 132.00 133.76 1sng h PRO 152 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1sng h PRO 152 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1sng h PRO 152 CO 0.63 0.00 -0.19 -0.40 -0.21 0.00 0.00 178.00 177.84 1sng n ASP 153 N -2.86 0.30 -4.76 -2.05 5.75 -1.26 -3.43 116.55 108.24 1sng n ASP 153 Ca -0.01 0.27 -0.36 0.00 -0.01 0.00 0.00 54.79 54.69 1sng n ASP 153 Cb 0.19 -0.28 0.02 0.00 -1.03 0.00 0.00 41.12 40.02 1sng n ASP 153 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1sng s LEU 154 N -3.29 3.70 0.00 -2.12 1.43 -1.12 -4.96 118.68 112.31 1sng s LEU 154 Ca 0.12 2.32 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 1sng s LEU 154 Cb 0.17 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.81 1sng s LEU 154 CO 0.60 -1.46 0.00 0.54 0.23 0.00 0.00 176.35 176.26 1sng n ARG 155 N -1.47 3.50 -3.39 1.70 1.74 -1.26 -4.76 116.66 112.73 1sng n ARG 155 Ca 0.13 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.22 1sng n ARG 155 Cb 0.50 -0.68 -0.02 0.00 -1.02 0.00 0.00 32.46 31.24 1sng n ARG 155 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sng s ALA 156 N -0.80 -2.18 -0.02 7.54 0.00 -1.26 -0.89 121.76 124.16 1sng s ALA 156 Ca 0.00 2.08 0.05 0.00 0.00 0.00 0.00 51.96 54.09 1sng s ALA 156 Cb 0.00 -1.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.12 1sng s ALA 156 CO 0.00 -1.14 -0.17 0.96 0.00 0.00 0.00 175.76 175.42 1sng s ILE 157 N 2.87 1.31 -0.25 0.00 -4.36 -0.60 -0.19 121.20 119.99 1sng s ILE 157 Ca 0.08 -0.70 -0.08 0.00 -0.26 0.00 0.00 60.65 59.69 1sng s ILE 157 Cb -0.13 -1.10 -0.03 0.00 1.25 0.00 0.00 42.46 42.45 1sng s ILE 157 CO -0.20 0.37 0.08 -0.22 0.24 0.00 0.00 174.94 175.22 1sng s LEU 158 N -0.33 3.53 -0.10 0.37 2.96 -0.72 -0.65 118.68 123.75 1sng s LEU 158 Ca 0.05 -0.16 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 1sng s LEU 158 Cb -0.07 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 1sng s LEU 158 CO -0.00 -0.02 -0.15 0.42 -1.32 0.00 0.00 176.35 175.28 1sng s THR 159 N 1.54 2.92 0.01 3.68 -4.23 -0.30 -1.05 115.64 118.22 1sng s THR 159 Ca 0.06 -0.73 -0.03 0.00 -1.18 0.00 0.00 61.69 59.81 1sng s THR 159 Cb -0.15 -2.19 -0.01 0.00 1.34 0.00 0.00 72.50 71.49 1sng s THR 159 CO 0.04 0.55 0.04 0.21 -0.54 0.00 0.00 174.62 174.92 1sng s ASN 160 N -0.02 0.16 0.01 3.99 3.84 -0.41 -1.15 114.94 121.35 1sng s ASN 160 Ca -0.04 -0.39 -0.12 0.00 0.21 0.00 0.00 52.86 52.52 1sng s ASN 160 Cb -0.14 0.15 0.01 0.00 -0.55 0.00 0.00 41.25 40.72 1sng s ASN 160 CO 0.04 -0.34 0.24 0.00 -2.79 0.00 0.00 177.10 174.26 1sng s ALA 161 N -1.48 -0.56 -0.06 1.71 0.00 -0.20 -1.89 121.76 119.28 1sng s ALA 161 Ca -0.15 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.81 1sng s ALA 161 Cb -0.09 0.17 0.04 0.00 0.00 0.00 0.00 23.12 23.24 1sng s ALA 161 CO -0.00 -0.29 0.13 -1.17 0.00 0.00 0.00 175.76 174.42 1sng s LEU 162 N -1.63 0.76 0.02 0.00 2.96 -0.61 -1.92 118.68 118.26 1sng s LEU 162 Ca -0.11 0.26 0.07 0.00 -0.22 0.00 0.00 54.13 54.13 1sng s LEU 162 Cb -0.04 0.29 -0.02 0.00 0.50 0.00 0.00 46.19 46.91 1sng s LEU 162 CO 0.01 -0.15 -0.22 0.86 -1.32 0.00 0.00 176.35 175.53 1sng s TRP 163 N 1.19 1.92 0.03 5.38 -0.11 0.04 -0.45 118.94 126.94 1sng s TRP 163 Ca -0.09 -0.38 -0.26 0.00 1.22 0.00 0.00 56.10 56.59 1sng s TRP 163 Cb -0.12 -1.18 0.07 0.00 -1.50 0.00 0.00 33.47 30.74 1sng s TRP 163 CO -0.05 0.06 0.61 0.00 -4.62 0.00 0.00 176.95 172.95 1sng s ALA 164 N -0.70 -1.60 -0.07 5.86 0.00 -0.88 -0.88 121.76 123.48 1sng s ALA 164 Ca 0.08 0.90 0.03 0.00 0.00 0.00 0.00 51.96 52.98 1sng s ALA 164 Cb -0.09 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.38 1sng s ALA 164 CO 0.01 -0.51 -0.17 0.21 0.00 0.00 0.00 175.76 175.29 1sng s LYS 165 N -2.20 2.20 -0.36 0.00 2.20 -1.21 -2.56 119.74 117.81 1sng s LYS 165 Ca -0.06 -0.62 -0.24 0.00 -0.36 0.00 0.00 55.97 54.69 1sng s LYS 165 Cb -0.01 -1.76 0.01 0.00 -1.51 0.00 0.00 37.83 34.57 1sng s LYS 165 CO 0.01 0.12 0.81 0.00 -0.36 0.00 0.00 175.35 175.93 1sng s ALA 166 N 0.44 3.44 -0.68 3.13 0.00 -1.23 -4.89 121.76 121.96 1sng s ALA 166 Ca -0.14 -0.59 -0.19 0.00 0.00 0.00 0.00 51.96 51.03 1sng s ALA 166 Cb -0.16 -3.39 0.11 0.00 0.00 0.00 0.00 23.12 19.68 1sng s ALA 166 CO 0.05 -1.48 0.85 0.50 0.00 0.00 0.00 175.76 175.68 1sng s ARG 167 N 3.16 3.20 0.53 0.00 3.52 -1.26 -3.78 118.95 124.31 1sng s ARG 167 Ca 0.33 -1.36 -0.22 0.00 -0.13 0.00 0.00 55.73 54.35 1sng s ARG 167 Cb -0.13 -4.38 -0.05 0.00 -1.56 0.00 0.00 34.95 28.83 1sng s ARG 167 CO 0.17 -1.64 1.35 -1.58 -0.81 0.00 0.00 175.30 172.79 1sng s TRP 168 N 2.86 2.35 0.23 5.12 0.52 -1.14 -0.60 118.94 128.27 1sng s TRP 168 Ca 0.18 1.38 -0.06 0.00 0.02 0.00 0.00 56.10 57.62 1sng s TRP 168 Cb -0.18 -3.77 0.21 0.00 -1.15 0.00 0.00 33.47 28.58 1sng s TRP 168 CO 0.03 -2.78 1.74 1.15 0.02 0.00 0.00 176.95 177.12 1sng h THR 169 N 1.55 1.25 -3.81 2.01 2.02 -1.55 -3.37 112.91 111.02 1sng h THR 169 Ca -0.51 -0.96 -0.67 0.00 0.77 0.00 0.00 66.41 65.04 1sng h THR 169 Cb 1.29 0.63 -0.37 0.00 -1.74 0.00 0.00 68.15 67.95 1sng h THR 169 CO 0.58 0.36 -0.77 -0.89 0.37 0.00 0.00 175.52 175.17 1sng s THR 170 N -5.22 2.28 0.73 3.16 2.01 -1.26 -5.03 115.64 112.31 1sng s THR 170 Ca -0.11 -1.83 -0.13 0.00 0.31 0.00 0.00 61.69 59.93 1sng s THR 170 Cb 0.15 -2.44 0.04 0.00 0.01 0.00 0.00 72.50 70.25 1sng s THR 170 CO 0.83 -0.21 1.12 -2.16 -0.69 0.00 0.00 174.62 173.52 1sng s PRO 171 N 1.06 2.34 0.30 4.92 0.04 -1.26 -4.99 135.00 137.40 1sng s PRO 171 Ca -0.03 1.40 -0.29 0.00 0.04 0.00 0.00 61.00 62.12 1sng s PRO 171 Cb -0.20 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 1sng s PRO 171 CO -0.06 -1.61 1.10 -0.06 0.04 0.00 0.00 177.00 176.42 1sng s PHE 172 N -2.49 3.51 -0.25 0.56 0.40 0.05 -4.99 117.98 114.77 1sng s PHE 172 Ca 0.66 1.68 -0.29 0.00 -0.60 0.00 0.00 56.93 58.38 1sng s PHE 172 Cb -0.21 -3.29 -0.01 0.00 0.51 0.00 0.00 43.02 40.03 1sng s PHE 172 CO 0.48 -0.63 1.31 -1.21 0.70 0.00 0.00 175.22 175.88 1sng s GLU 173 N -1.59 4.01 0.48 0.44 2.02 -1.26 -4.68 118.70 118.12 1sng s GLU 173 Ca 0.46 1.41 0.14 0.00 0.02 0.00 0.00 54.97 57.01 1sng s GLU 173 Cb -0.31 -3.85 1.13 0.00 0.10 0.00 0.00 34.13 31.19 1sng s GLU 173 CO 0.40 -1.00 2.08 0.00 0.02 0.00 0.00 175.26 176.76 1sng h ALA 174 N 9.05 1.86 0.00 5.21 0.00 -1.94 -1.22 119.26 132.22 1sng h ALA 174 Ca -0.27 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1sng h ALA 174 Cb 1.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1sng h ALA 174 CO 1.01 0.11 0.00 -2.39 0.00 0.00 0.00 179.25 177.98 1sng n HIS 175 N -4.45 0.51 1.28 0.00 1.44 -1.26 -2.32 115.22 110.41 1sng n HIS 175 Ca -0.02 0.18 0.13 0.00 -2.01 0.00 0.00 57.72 56.00 1sng n HIS 175 Cb 0.15 -0.79 0.35 0.00 0.12 0.00 0.00 29.99 29.82 1sng n HIS 175 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1sng n LEU 176 N -1.94 1.60 -4.69 2.39 4.77 -0.46 -4.87 117.00 113.79 1sng n LEU 176 Ca 0.04 -0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 55.08 1sng n LEU 176 Cb 0.27 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1sng n LEU 176 CO 0.21 0.28 1.00 -0.89 -1.33 0.00 0.00 177.39 176.67 1sng s THR 177 N -2.23 3.98 0.06 -5.08 2.01 -0.98 -4.25 115.64 109.14 1sng s THR 177 Ca 0.30 1.36 -0.08 0.00 0.31 0.00 0.00 61.69 63.57 1sng s THR 177 Cb 0.20 -3.87 -0.00 0.00 0.01 0.00 0.00 72.50 68.83 1sng s THR 177 CO 0.42 0.02 0.18 0.00 -0.69 0.00 0.00 174.62 174.55 1sng s ARG 178 N 2.00 0.74 0.39 4.92 1.70 -0.46 -4.92 118.95 123.32 1sng s ARG 178 Ca 0.60 -0.79 -0.27 0.00 -0.47 0.00 0.00 55.73 54.79 1sng s ARG 178 Cb -0.28 0.30 -0.09 0.00 -0.57 0.00 0.00 34.95 34.30 1sng s ARG 178 CO 0.25 -0.22 1.35 0.00 -1.08 0.00 0.00 175.30 175.61 1sng s ALA 179 N -3.13 3.37 0.24 7.88 0.00 -1.26 -0.53 121.76 128.32 1sng s ALA 179 Ca -0.01 1.33 -0.10 0.00 0.00 0.00 0.00 51.96 53.18 1sng s ALA 179 Cb 0.02 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 1sng s ALA 179 CO -0.07 -0.87 0.40 0.20 0.00 0.00 0.00 175.76 175.42 1sng s GLY 180 N -0.54 0.72 -0.13 0.00 0.00 0.49 -4.82 107.32 103.03 1sng s GLY 180 Ca 0.55 -1.05 -0.20 0.00 0.00 0.00 0.00 44.72 44.03 1sng s GLY 180 CO 0.53 -0.79 0.55 -1.59 0.00 0.00 0.00 173.10 171.80 1sng s THR 181 N -4.05 5.12 -0.09 0.90 2.01 -1.26 -0.55 115.64 117.73 1sng s THR 181 Ca 0.26 1.08 0.04 0.00 0.31 0.00 0.00 61.69 63.38 1sng s THR 181 Cb 0.01 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 1sng s THR 181 CO 0.09 0.26 -0.23 0.12 -0.69 0.00 0.00 174.62 174.17 1sng s PHE 182 N 1.01 2.55 -0.77 4.92 2.19 0.42 -4.80 117.98 123.51 1sng s PHE 182 Ca 0.28 -0.87 -0.24 0.00 0.33 0.00 0.00 56.93 56.43 1sng s PHE 182 Cb -0.16 -1.68 0.05 0.00 -1.31 0.00 0.00 43.02 39.93 1sng s PHE 182 CO 0.12 -0.31 1.18 0.50 1.83 0.00 0.00 175.22 178.54 1sng s ARG 183 N 0.13 3.25 0.79 10.12 6.06 -0.43 -0.36 118.95 138.51 1sng s ARG 183 Ca -0.12 -0.69 -0.05 0.00 -2.50 0.00 0.00 55.73 52.37 1sng s ARG 183 Cb -0.16 -4.42 0.15 0.00 0.06 0.00 0.00 34.95 30.58 1sng s ARG 183 CO 0.07 -2.01 1.09 0.95 -2.50 0.00 0.00 175.30 172.89 1sng s THR 184 N 4.81 2.08 -0.07 4.11 -4.23 0.14 -4.25 115.64 118.23 1sng s THR 184 Ca 0.32 -0.44 0.31 0.00 -1.18 0.00 0.00 61.69 60.70 1sng s THR 184 Cb -0.10 -2.64 0.36 0.00 1.34 0.00 0.00 72.50 71.47 1sng s THR 184 CO 0.08 0.00 1.89 -0.65 -0.54 0.00 0.00 174.62 175.40 1sng h PRO 185 N -0.84 0.00 -0.70 3.99 0.11 -1.96 -2.16 132.00 130.44 1sng h PRO 185 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1sng h PRO 185 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1sng h PRO 185 CO 0.39 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.72 1sng n ARG 186 N -2.95 3.62 0.00 1.05 3.00 -1.26 -5.05 116.66 115.07 1sng n ARG 186 Ca 0.01 -2.17 0.00 0.00 -0.01 0.00 0.00 57.85 55.69 1sng n ARG 186 Cb 0.33 -2.00 0.00 0.00 0.00 0.00 0.00 32.46 30.79 1sng n ARG 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sng n GLY 187 N 0.49 -2.59 3.76 -0.13 0.00 -0.81 -4.97 105.19 100.95 1sng n GLY 187 Ca 0.19 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 1sng n GLY 187 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sng s PRO 188 N -0.34 4.33 0.01 1.61 0.04 -1.26 -0.69 135.00 138.71 1sng s PRO 188 Ca 0.00 2.24 0.01 0.00 0.04 0.00 0.00 61.00 63.28 1sng s PRO 188 Cb 0.00 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.45 1sng s PRO 188 CO 0.00 -0.25 -0.03 0.15 0.04 0.00 0.00 177.00 176.91 1sng s LYS 189 N -1.47 0.26 -0.21 4.56 3.01 0.51 -4.87 119.74 121.52 1sng s LYS 189 Ca 0.51 -0.35 -0.25 0.00 -1.01 0.00 0.00 55.97 54.87 1sng s LYS 189 Cb -0.40 -0.08 -0.01 0.00 -1.01 0.00 0.00 37.83 36.33 1sng s LYS 189 CO 0.51 0.01 0.83 1.03 0.51 0.00 0.00 175.35 178.24 1sng s ARG 190 N -0.75 4.23 0.06 1.68 1.81 -1.26 -0.44 118.95 124.29 1sng s ARG 190 Ca -0.06 0.97 0.02 0.00 -1.72 0.00 0.00 55.73 54.93 1sng s ARG 190 Cb -0.05 -3.62 -0.03 0.00 -0.45 0.00 0.00 34.95 30.80 1sng s ARG 190 CO -0.00 -0.44 -0.07 0.14 -0.68 0.00 0.00 175.30 174.25 1sng s VAL 191 N 2.55 0.57 0.01 3.52 -7.23 0.28 -4.89 120.40 115.21 1sng s VAL 191 Ca 0.36 -1.44 -0.30 0.00 -1.81 0.00 0.00 61.98 58.79 1sng s VAL 191 Cb -0.16 -1.06 -0.07 0.00 0.56 0.00 0.00 36.38 35.65 1sng s VAL 191 CO 0.09 -0.61 1.69 -2.84 -0.31 0.00 0.00 175.10 173.13 1sng s PRO 192 N -2.57 4.18 -0.16 4.82 0.02 -1.26 -0.38 135.00 139.65 1sng s PRO 192 Ca -0.01 2.30 -0.06 0.00 0.02 0.00 0.00 61.00 63.25 1sng s PRO 192 Cb -0.03 -3.86 -0.04 0.00 0.02 0.00 0.00 34.50 30.59 1sng s PRO 192 CO -0.02 -0.81 0.04 -0.06 -0.33 0.00 0.00 177.00 175.82 1sng s PHE 193 N 3.54 3.22 0.30 6.54 0.40 0.31 -2.31 117.98 129.99 1sng s PHE 193 Ca 0.75 0.05 -0.20 0.00 -0.60 0.00 0.00 56.93 56.94 1sng s PHE 193 Cb -0.37 -2.02 -0.09 0.00 0.51 0.00 0.00 43.02 41.05 1sng s PHE 193 CO 0.32 0.19 0.80 -1.64 0.70 0.00 0.00 175.22 175.60 1sng s MET 194 N 0.14 4.23 -0.04 0.44 -1.94 0.96 -1.36 119.30 121.72 1sng s MET 194 Ca 0.04 0.93 0.03 0.00 -1.71 0.00 0.00 55.69 54.97 1sng s MET 194 Cb -0.12 -2.62 0.01 0.00 2.01 0.00 0.00 34.83 34.11 1sng s MET 194 CO 0.01 0.23 -0.11 -1.01 -0.01 0.00 0.00 175.02 174.14 1sng s HIS 195 N -1.79 1.19 -0.10 -0.03 3.76 -1.26 -1.03 115.29 116.04 1sng s HIS 195 Ca 0.51 -0.35 -0.15 0.00 -0.15 0.00 0.00 55.06 54.92 1sng s HIS 195 Cb -0.14 -0.86 0.03 0.00 1.11 0.00 0.00 32.58 32.73 1sng s HIS 195 CO 0.19 -0.17 0.38 0.50 -0.85 0.00 0.00 174.74 174.79 1sng s ARG 196 N 0.37 0.54 -0.22 1.40 3.52 -0.89 -4.36 118.95 119.30 1sng s ARG 196 Ca -0.07 0.32 0.02 0.00 -0.13 0.00 0.00 55.73 55.87 1sng s ARG 196 Cb -0.12 0.25 0.04 0.00 -1.56 0.00 0.00 34.95 33.57 1sng s ARG 196 CO 0.02 -0.10 -0.16 0.99 -0.81 0.00 0.00 175.30 175.24 1sng s THR 197 N -0.29 2.10 0.04 4.11 2.01 -1.26 -0.22 115.64 122.13 1sng s THR 197 Ca -0.04 -1.27 -0.27 0.00 0.31 0.00 0.00 61.69 60.42 1sng s THR 197 Cb -0.03 -2.05 0.07 0.00 0.01 0.00 0.00 72.50 70.50 1sng s THR 197 CO 0.02 0.27 0.66 -0.75 -0.69 0.00 0.00 174.62 174.13 1sng s LYS 198 N 1.20 1.14 0.12 4.92 2.20 -0.96 -4.97 119.74 123.39 1sng s LYS 198 Ca -0.02 -0.08 -0.31 0.00 -0.36 0.00 0.00 55.97 55.21 1sng s LYS 198 Cb -0.16 0.53 -0.07 0.00 -1.51 0.00 0.00 37.83 36.62 1sng s LYS 198 CO -0.09 -0.43 1.26 0.95 -0.36 0.00 0.00 175.35 176.68 1sng s THR 199 N -2.37 3.64 0.17 3.43 -4.23 -1.26 -1.77 115.64 113.25 1sng s THR 199 Ca -0.05 1.24 -0.19 0.00 -1.18 0.00 0.00 61.69 61.50 1sng s THR 199 Cb -0.00 -3.79 0.04 0.00 1.34 0.00 0.00 72.50 70.09 1sng s THR 199 CO -0.01 0.13 0.53 0.00 -0.54 0.00 0.00 174.62 174.73 1sng s MET 200 N 0.65 1.31 0.23 3.99 0.23 -0.04 -4.88 119.30 120.78 1sng s MET 200 Ca 0.59 -0.71 -0.31 0.00 -1.03 0.00 0.00 55.69 54.23 1sng s MET 200 Cb -0.33 0.54 -0.12 0.00 -1.53 0.00 0.00 34.83 33.39 1sng s MET 200 CO 0.32 -0.56 1.67 -2.14 -2.03 0.00 0.00 175.02 172.29 1sng s PRO 201 N -3.82 4.13 -0.01 3.16 0.02 -1.26 -0.76 135.00 136.47 1sng s PRO 201 Ca 0.05 2.58 0.01 0.00 0.02 0.00 0.00 61.00 63.66 1sng s PRO 201 Cb -0.01 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.45 1sng s PRO 201 CO -0.08 -0.71 -0.03 -0.47 -0.33 0.00 0.00 177.00 175.39 1sng s TYR 202 N 0.85 0.31 0.04 6.54 5.04 -0.50 -1.82 117.35 127.81 1sng s TYR 202 Ca 0.71 -0.05 -0.06 0.00 -2.44 0.00 0.00 57.07 55.23 1sng s TYR 202 Cb -0.49 -0.24 -0.01 0.00 0.35 0.00 0.00 41.96 41.58 1sng s TYR 202 CO 0.36 -0.03 0.11 0.00 -1.34 0.00 0.00 175.55 174.66 1sng s ALA 203 N 0.10 -0.12 0.06 3.97 0.00 -0.08 -1.55 121.76 124.15 1sng s ALA 203 Ca -0.01 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.52 1sng s ALA 203 Cb -0.03 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 1sng s ALA 203 CO -0.00 -0.32 -0.16 0.95 0.00 0.00 0.00 175.76 176.23 1sng s THR 204 N -2.53 1.25 -0.28 0.00 -4.23 -1.26 -0.76 115.64 107.84 1sng s THR 204 Ca -0.06 -1.18 -0.09 0.00 -1.18 0.00 0.00 61.69 59.18 1sng s THR 204 Cb -0.02 -1.15 0.12 0.00 1.34 0.00 0.00 72.50 72.80 1sng s THR 204 CO -0.04 -0.05 0.60 0.00 -0.54 0.00 0.00 174.62 174.59 1sng s ALA 205 N -1.01 -1.87 -1.59 3.99 0.00 -0.25 -4.85 121.76 116.17 1sng s ALA 205 Ca 0.02 2.16 -0.14 0.00 0.00 0.00 0.00 51.96 53.99 1sng s ALA 205 Cb -0.09 -1.70 0.11 0.00 0.00 0.00 0.00 23.12 21.44 1sng s ALA 205 CO 0.02 -0.91 0.83 0.54 0.00 0.00 0.00 175.76 176.24 1sng n ARG 206 N 5.44 -4.23 0.00 0.00 1.74 -1.26 -0.14 116.66 118.20 1sng n ARG 206 Ca -0.11 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 1sng n ARG 206 Cb 0.49 -5.21 0.00 0.00 -1.02 0.00 0.00 32.46 26.72 1sng n ARG 206 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sng n GLY 207 N -1.58 2.17 3.85 -0.13 0.00 -1.26 -4.85 105.19 103.39 1sng n GLY 207 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1sng n GLY 207 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sng s TRP 208 N -2.45 3.41 0.01 1.61 0.52 0.79 -3.20 118.94 119.64 1sng s TRP 208 Ca 0.00 1.35 0.03 0.00 0.02 0.00 0.00 56.10 57.49 1sng s TRP 208 Cb 0.00 -2.67 -0.01 0.00 -1.15 0.00 0.00 33.47 29.64 1sng s TRP 208 CO 0.00 -0.16 -0.08 1.03 0.02 0.00 0.00 176.95 177.75 1sng s ARG 209 N -3.63 0.64 -0.04 4.98 0.52 -0.53 -1.09 118.95 119.80 1sng s ARG 209 Ca 0.57 -0.42 -0.05 0.00 -0.52 0.00 0.00 55.73 55.30 1sng s ARG 209 Cb -0.10 -0.58 0.01 0.00 0.52 0.00 0.00 34.95 34.80 1sng s ARG 209 CO 0.25 0.15 0.13 1.41 0.02 0.00 0.00 175.30 177.26 1sng s MET 210 N -0.56 0.23 0.26 3.54 1.75 0.06 -0.51 119.30 124.07 1sng s MET 210 Ca 0.00 0.06 0.11 0.00 -1.25 0.00 0.00 55.69 54.61 1sng s MET 210 Cb -0.05 0.10 -0.05 0.00 2.84 0.00 0.00 34.83 37.68 1sng s MET 210 CO 0.00 -0.04 -0.18 0.14 -0.65 0.00 0.00 175.02 174.29 1sng s VAL 211 N -0.24 2.26 -0.14 10.11 -7.23 -0.74 -0.90 120.40 123.52 1sng s VAL 211 Ca -0.03 -2.35 0.02 0.00 -1.81 0.00 0.00 61.98 57.81 1sng s VAL 211 Cb -0.02 -2.22 0.01 0.00 0.56 0.00 0.00 36.38 34.71 1sng s VAL 211 CO 0.00 -0.45 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.26 1sng s THR 212 N -2.62 1.89 -0.18 5.32 2.01 -0.75 -0.80 115.64 120.50 1sng s THR 212 Ca 0.28 -0.86 -0.14 0.00 0.31 0.00 0.00 61.69 61.28 1sng s THR 212 Cb -0.04 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1sng s THR 212 CO 0.13 0.52 0.30 -0.76 -0.69 0.00 0.00 174.62 174.11 1sng s LEU 213 N 1.02 4.20 0.01 4.42 1.43 0.62 -4.18 118.68 126.20 1sng s LEU 213 Ca -0.03 0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 53.31 1sng s LEU 213 Cb -0.15 -2.36 -0.06 0.00 0.03 0.00 0.00 46.19 43.66 1sng s LEU 213 CO -0.05 0.05 0.59 -1.00 0.23 0.00 0.00 176.35 176.16 1sng s HIS 214 N 0.78 3.70 0.30 0.29 3.76 -1.26 -1.09 115.29 121.76 1sng s HIS 214 Ca 0.16 1.20 0.06 0.00 -0.15 0.00 0.00 55.06 56.33 1sng s HIS 214 Cb -0.13 -2.58 -0.06 0.00 1.11 0.00 0.00 32.58 30.91 1sng s HIS 214 CO 0.05 0.39 -0.04 0.00 -0.85 0.00 0.00 174.74 174.29 1sng s ALA 215 N -0.34 2.44 0.89 -1.40 0.00 -0.16 -1.53 121.76 121.65 1sng s ALA 215 Ca 0.30 -1.96 -0.11 0.00 0.00 0.00 0.00 51.96 50.19 1sng s ALA 215 Cb -0.18 0.25 0.13 0.00 0.00 0.00 0.00 23.12 23.31 1sng s ALA 215 CO 0.17 -0.10 1.10 -1.01 0.00 0.00 0.00 175.76 175.92 1sng s HIS 216 N -3.01 2.11 -1.35 0.00 3.76 0.23 -3.57 115.29 113.46 1sng s HIS 216 Ca 0.31 1.50 -0.05 0.00 -0.15 0.00 0.00 55.06 56.67 1sng s HIS 216 Cb 0.05 -3.17 0.02 0.00 1.11 0.00 0.00 32.58 30.59 1sng s HIS 216 CO 0.13 -2.46 0.91 -0.25 -0.85 0.00 0.00 174.74 172.22 1sng n ASP 217 N -3.97 -3.15 -1.76 1.40 8.00 -1.26 -3.03 116.55 112.79 1sng n ASP 217 Ca 0.09 -0.72 -0.18 0.00 0.71 0.00 0.00 54.79 54.68 1sng n ASP 217 Cb 0.53 -4.39 -0.04 0.00 -0.02 0.00 0.00 41.12 37.20 1sng n ASP 217 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1sng n GLU 218 N -4.48 -1.37 -3.54 -1.24 1.02 -1.25 -4.96 120.64 104.81 1sng n GLU 218 Ca -0.16 1.01 -0.37 0.00 -0.02 0.00 0.00 57.16 57.62 1sng n GLU 218 Cb 0.62 -5.41 -0.07 0.00 -0.02 0.00 0.00 31.44 26.56 1sng n GLU 218 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1sng s LEU 219 N -4.73 4.30 0.01 -4.62 0.20 -1.17 -4.46 118.68 108.21 1sng s LEU 219 Ca 0.00 0.60 0.07 0.00 0.69 0.00 0.00 54.13 55.49 1sng s LEU 219 Cb 0.00 -2.41 -0.02 0.00 -0.43 0.00 0.00 46.19 43.33 1sng s LEU 219 CO 0.00 0.16 -0.21 0.00 -0.29 0.00 0.00 176.35 176.00 1sng s ALA 220 N 0.09 1.79 -0.24 5.97 0.00 -0.65 -0.99 121.76 127.74 1sng s ALA 220 Ca 0.18 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.17 1sng s ALA 220 Cb -0.14 -0.42 0.06 0.00 0.00 0.00 0.00 23.12 22.63 1sng s ALA 220 CO 0.06 0.43 -0.04 0.08 0.00 0.00 0.00 175.76 176.29 1sng s VAL 221 N -0.61 1.46 0.07 0.00 1.01 -0.25 -0.90 120.40 121.17 1sng s VAL 221 Ca 0.08 -1.21 -0.23 0.00 0.00 0.00 0.00 61.98 60.62 1sng s VAL 221 Cb -0.08 -1.76 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 1sng s VAL 221 CO 0.00 -0.14 0.69 -1.81 0.00 0.00 0.00 175.10 173.84 1sng s ASP 222 N 1.42 7.17 -0.13 3.32 1.01 -0.03 -0.27 116.67 129.15 1sng s ASP 222 Ca -0.05 1.39 0.03 0.00 0.71 0.00 0.00 52.55 54.63 1sng s ASP 222 Cb -0.19 -2.43 0.01 0.00 1.01 0.00 0.00 42.92 41.32 1sng s ASP 222 CO -0.07 0.13 -0.23 -0.69 0.21 0.00 0.00 175.17 174.53 1sng s VAL 223 N -0.54 2.06 -0.07 -1.27 1.01 0.02 -1.08 120.40 120.52 1sng s VAL 223 Ca 0.34 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.38 1sng s VAL 223 Cb -0.20 -1.81 -0.00 0.00 0.00 0.00 0.00 36.38 34.37 1sng s VAL 223 CO 0.21 0.55 -0.22 -0.76 0.00 0.00 0.00 175.10 174.89 1sng s LEU 224 N 0.69 2.00 -0.18 3.92 1.02 0.23 -1.80 118.68 124.56 1sng s LEU 224 Ca -0.10 -0.48 -0.03 0.00 0.02 0.00 0.00 54.13 53.55 1sng s LEU 224 Cb -0.16 -1.25 -0.01 0.00 0.02 0.00 0.00 46.19 44.78 1sng s LEU 224 CO 0.01 0.17 -0.07 -0.76 0.02 0.00 0.00 176.35 175.71 1sng s LEU 225 N 0.20 2.89 1.06 1.79 1.43 0.34 -1.03 118.68 125.35 1sng s LEU 225 Ca -0.12 -0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 52.51 1sng s LEU 225 Cb -0.15 -1.70 0.22 0.00 0.03 0.00 0.00 46.19 44.58 1sng s LEU 225 CO 0.06 0.08 1.11 -2.16 0.23 0.00 0.00 176.35 175.67 1sng s PRO 226 N 0.89 -0.07 0.44 1.29 0.04 -1.26 -1.45 135.00 134.88 1sng s PRO 226 Ca -0.02 0.25 -0.26 0.00 0.04 0.00 0.00 61.00 61.01 1sng s PRO 226 Cb -0.15 -1.70 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 1sng s PRO 226 CO 0.01 -3.01 1.45 -2.14 0.04 0.00 0.00 177.00 173.35 1sng s PRO 227 N -5.18 3.73 0.56 0.56 0.02 -1.19 -4.78 135.00 128.72 1sng s PRO 227 Ca 0.67 2.46 0.25 0.00 0.02 0.00 0.00 61.00 64.40 1sng s PRO 227 Cb -0.15 -2.70 1.54 0.00 0.02 0.00 0.00 34.50 33.22 1sng s PRO 227 CO 0.56 -0.80 2.13 0.78 -0.33 0.00 0.00 177.00 179.34 1sng h GLY 228 N 2.41 0.00 1.53 0.52 0.00 -1.93 -0.44 103.07 105.16 1sng h GLY 228 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1sng h GLY 228 CO 0.61 0.00 -0.06 -1.30 0.00 0.00 0.00 176.54 175.80 1sng n THR 229 N -4.10 0.00 -3.09 4.70 -2.24 -1.26 -4.10 114.28 104.18 1sng n THR 229 Ca 0.01 -0.01 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 1sng n THR 229 Cb 0.26 -0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 1sng n THR 229 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1sng n ASN 230 N -1.30 -0.34 0.29 3.42 5.15 -0.19 -5.00 115.26 117.28 1sng n ASN 230 Ca 0.11 -2.93 0.19 0.00 -0.60 0.00 0.00 54.58 51.35 1sng n ASN 230 Cb 0.28 -0.07 0.84 0.00 -0.53 0.00 0.00 39.78 40.31 1sng n ASN 230 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sng h ALA 231 N 3.71 1.00 -0.57 5.20 0.00 -1.67 -1.78 119.26 125.15 1sng h ALA 231 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sng h ALA 231 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1sng h ALA 231 CO 0.43 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1sng n ALA 232 N -2.06 2.41 -1.64 0.00 0.00 -1.26 -4.60 120.51 113.35 1sng n ALA 232 Ca -0.00 -1.06 -0.35 0.00 0.00 0.00 0.00 53.44 52.02 1sng n ALA 232 Cb 0.22 -0.94 0.05 0.00 0.00 0.00 0.00 19.45 18.78 1sng n ALA 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sng s ALA 233 N -1.25 2.42 -0.07 0.00 0.00 -0.67 -5.03 121.76 117.16 1sng s ALA 233 Ca 0.42 0.97 0.03 0.00 0.00 0.00 0.00 51.96 53.38 1sng s ALA 233 Cb 0.22 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 1sng s ALA 233 CO 0.30 -1.39 -0.14 0.08 0.00 0.00 0.00 175.76 174.60 1sng s VAL 234 N -1.71 3.02 0.82 0.00 1.01 -1.26 -4.88 120.40 117.40 1sng s VAL 234 Ca 0.77 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 1sng s VAL 234 Cb -0.30 -2.20 0.09 0.00 0.00 0.00 0.00 36.38 33.97 1sng s VAL 234 CO 0.37 0.58 1.10 -2.16 0.00 0.00 0.00 175.10 174.98 1sng s PRO 235 N -0.48 1.83 0.30 2.72 0.04 -1.26 -5.07 135.00 133.08 1sng s PRO 235 Ca 0.06 1.12 0.07 0.00 0.04 0.00 0.00 61.00 62.30 1sng s PRO 235 Cb -0.12 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 1sng s PRO 235 CO 0.02 -1.93 -0.06 0.95 0.04 0.00 0.00 177.00 176.02 1sng s THR 236 N -2.88 1.73 0.10 1.26 -4.23 -1.26 -4.89 115.64 105.48 1sng s THR 236 Ca 0.62 -2.13 -0.23 0.00 -1.18 0.00 0.00 61.69 58.77 1sng s THR 236 Cb -0.18 -2.51 -0.12 0.00 1.34 0.00 0.00 72.50 71.02 1sng s THR 236 CO 0.57 -0.26 1.72 0.00 -0.54 0.00 0.00 174.62 176.10 1sng h ALA 237 N 2.22 -0.07 -0.88 3.99 0.00 -1.90 -1.95 119.26 120.66 1sng h ALA 237 Ca -0.40 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.61 1sng h ALA 237 Cb 1.24 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 1sng h ALA 237 CO 0.68 -0.55 0.57 -1.35 0.00 0.00 0.00 179.25 178.60 1sng h PRO 238 N -0.10 0.82 -0.39 0.00 0.11 -1.98 -1.21 132.00 129.25 1sng h PRO 238 Ca 0.01 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 1sng h PRO 238 Cb 0.12 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 1sng h PRO 238 CO -0.04 0.54 0.11 1.25 -0.21 0.00 0.00 178.00 179.66 1sng h LEU 239 N 0.85 0.57 -0.62 2.35 5.85 -1.91 -1.02 115.31 121.38 1sng h LEU 239 Ca 0.41 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1sng h LEU 239 Cb 0.45 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1sng h LEU 239 CO -0.18 0.63 0.41 -0.07 -0.34 0.00 0.00 178.44 178.90 1sng h LEU 240 N 0.48 0.71 -0.42 2.25 4.07 -0.71 -0.02 115.31 121.67 1sng h LEU 240 Ca 0.12 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 1sng h LEU 240 Cb 0.27 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 1sng h LEU 240 CO -0.00 0.52 0.26 0.74 -1.08 0.00 0.00 178.44 178.88 1sng h THR 241 N 0.84 1.13 -0.29 0.22 2.02 -1.10 -1.01 112.91 114.72 1sng h THR 241 Ca 0.23 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1sng h THR 241 Cb -0.09 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1sng h THR 241 CO -0.05 0.13 0.15 0.00 0.37 0.00 0.00 175.52 176.12 1sng h ALA 242 N 1.12 0.37 -0.76 6.16 0.00 -0.84 -1.05 119.26 124.26 1sng h ALA 242 Ca 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1sng h ALA 242 Cb -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1sng h ALA 242 CO -0.03 -0.08 0.36 -0.07 0.00 0.00 0.00 179.25 179.43 1sng h LEU 243 N 0.34 1.00 -0.01 0.00 3.38 -0.83 0.27 115.31 119.46 1sng h LEU 243 Ca 0.10 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1sng h LEU 243 Cb 0.10 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1sng h LEU 243 CO -0.01 0.85 0.00 -0.74 0.09 0.00 0.00 178.44 178.63 1sng h HIS 244 N 1.09 0.01 -1.01 1.13 2.76 -1.03 -2.47 115.15 115.64 1sng h HIS 244 Ca 0.26 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.51 1sng h HIS 244 Cb 0.13 -0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.01 1sng h HIS 244 CO 0.01 0.31 0.65 -0.09 -1.30 0.00 0.00 177.93 177.51 1sng h ARG 245 N -0.29 1.11 -0.24 5.26 2.43 -0.88 -2.25 114.38 119.53 1sng h ARG 245 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1sng h ARG 245 Cb 0.31 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1sng h ARG 245 CO 0.00 0.74 0.00 0.54 -1.51 0.00 0.00 179.97 179.74 1sng n ARG 246 N -4.52 1.75 -2.22 0.20 1.74 0.06 -4.92 116.66 108.75 1sng n ARG 246 Ca 0.16 -1.15 -0.41 0.00 -0.77 0.00 0.00 57.85 55.69 1sng n ARG 246 Cb 0.21 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 1sng n ARG 246 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1sng s SER 247 N -1.33 6.91 -0.02 0.55 0.01 -0.85 -4.57 113.70 114.40 1sng s SER 247 Ca 0.28 2.51 -0.05 0.00 1.31 0.00 0.00 55.95 60.00 1sng s SER 247 Cb 0.15 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.76 1sng s SER 247 CO 0.22 -0.45 0.12 0.00 0.41 0.00 0.00 173.24 173.53 1sng s ALA 248 N -0.72 -0.28 0.05 1.44 0.00 -0.59 -4.88 121.76 116.78 1sng s ALA 248 Ca 0.51 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.26 1sng s ALA 248 Cb -0.37 -0.07 -0.09 0.00 0.00 0.00 0.00 23.12 22.60 1sng s ALA 248 CO 0.46 -0.12 1.84 0.45 0.00 0.00 0.00 175.76 178.38 1sng s SER 249 N -0.59 6.49 -0.05 0.00 0.15 -1.26 -1.42 113.70 117.03 1sng s SER 249 Ca -0.07 2.61 -0.04 0.00 0.70 0.00 0.00 55.95 59.15 1sng s SER 249 Cb -0.04 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.74 1sng s SER 249 CO 0.01 -1.00 0.12 -0.89 1.20 0.00 0.00 173.24 172.68 1sng s THR 250 N 3.65 -0.01 -0.18 6.45 2.01 0.06 -4.89 115.64 122.74 1sng s THR 250 Ca 0.82 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 62.55 1sng s THR 250 Cb -0.42 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 71.89 1sng s THR 250 CO 0.37 0.01 1.51 -0.55 -0.69 0.00 0.00 174.62 175.27 1sng s SER 251 N 0.19 6.60 -0.09 3.53 0.15 -1.26 -0.86 113.70 121.96 1sng s SER 251 Ca -0.01 1.72 0.03 0.00 0.70 0.00 0.00 55.95 58.39 1sng s SER 251 Cb -0.02 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.76 1sng s SER 251 CO -0.01 -1.06 -0.17 -0.69 1.20 0.00 0.00 173.24 172.51 1sng s VAL 252 N 4.49 1.56 -0.67 4.45 1.01 -0.73 -0.50 120.40 130.02 1sng s VAL 252 Ca 0.67 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.71 1sng s VAL 252 Cb -0.25 -1.39 0.08 0.00 0.00 0.00 0.00 36.38 34.81 1sng s VAL 252 CO 0.25 0.45 0.96 -0.70 0.00 0.00 0.00 175.10 176.07 1sng s GLU 253 N 0.63 3.14 -0.18 2.72 2.12 0.13 -2.25 118.70 125.01 1sng s GLU 253 Ca -0.14 -0.91 -0.13 0.00 0.36 0.00 0.00 54.97 54.16 1sng s GLU 253 Cb -0.16 -4.27 -0.05 0.00 0.26 0.00 0.00 34.13 29.90 1sng s GLU 253 CO 0.04 -1.81 0.24 -1.17 -0.54 0.00 0.00 175.26 172.02 1sng s LEU 254 N 3.93 4.22 -0.22 2.70 2.96 0.69 -1.29 118.68 131.68 1sng s LEU 254 Ca 0.22 0.40 0.01 0.00 -0.22 0.00 0.00 54.13 54.54 1sng s LEU 254 Cb -0.16 -2.28 0.03 0.00 0.50 0.00 0.00 46.19 44.28 1sng s LEU 254 CO 0.09 0.11 -0.14 0.00 -1.32 0.00 0.00 176.35 175.09 1sng s ALA 255 N 0.52 2.50 -0.09 5.97 0.00 -0.61 -2.10 121.76 127.95 1sng s ALA 255 Ca 0.13 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 50.65 1sng s ALA 255 Cb -0.12 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.59 1sng s ALA 255 CO 0.02 -0.71 -0.03 -1.17 0.00 0.00 0.00 175.76 173.87 1sng s LEU 256 N 1.25 0.86 0.37 0.00 2.96 -0.19 -0.76 118.68 123.17 1sng s LEU 256 Ca -0.00 -0.18 -0.28 0.00 -0.22 0.00 0.00 54.13 53.45 1sng s LEU 256 Cb -0.16 -0.62 -0.11 0.00 0.50 0.00 0.00 46.19 45.80 1sng s LEU 256 CO -0.08 -0.16 1.39 -2.65 -1.32 0.00 0.00 176.35 173.53 1sng n PRO 257 N 5.04 2.37 -2.40 0.98 -0.02 -1.26 -0.03 135.00 139.69 1sng n PRO 257 Ca -0.10 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 1sng n PRO 257 Cb 0.50 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 1sng n PRO 257 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1sng s ARG 258 N -2.05 4.36 0.11 -0.52 3.52 -0.98 -4.80 118.95 118.59 1sng s ARG 258 Ca 0.55 1.77 -0.15 0.00 -0.13 0.00 0.00 55.73 57.77 1sng s ARG 258 Cb -0.51 -3.50 0.03 0.00 -1.56 0.00 0.00 34.95 29.41 1sng s ARG 258 CO 0.62 -0.42 0.36 -0.59 -0.81 0.00 0.00 175.30 174.47 1sng s PHE 259 N 1.92 -0.15 -0.05 5.12 -0.71 -0.39 -4.14 117.98 119.58 1sng s PHE 259 Ca 0.58 -0.18 -0.04 0.00 -1.04 0.00 0.00 56.93 56.26 1sng s PHE 259 Cb -0.28 0.20 0.02 0.00 -1.21 0.00 0.00 43.02 41.75 1sng s PHE 259 CO 0.25 -0.66 0.12 -2.00 -1.34 0.00 0.00 175.22 171.59 1sng s GLU 260 N -3.73 0.13 -0.07 1.99 2.12 -0.39 -0.02 118.70 118.73 1sng s GLU 260 Ca 0.03 0.20 -0.05 0.00 0.36 0.00 0.00 54.97 55.50 1sng s GLU 260 Cb 0.02 0.02 0.02 0.00 0.26 0.00 0.00 34.13 34.45 1sng s GLU 260 CO -0.11 -0.04 0.17 -1.17 -0.54 0.00 0.00 175.26 173.56 1sng s LEU 261 N 0.27 1.21 0.01 2.70 2.96 -0.79 -4.37 118.68 120.67 1sng s LEU 261 Ca -0.02 0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 54.20 1sng s LEU 261 Cb -0.03 0.55 -0.01 0.00 0.50 0.00 0.00 46.19 47.21 1sng s LEU 261 CO -0.01 -0.08 0.05 0.28 -1.32 0.00 0.00 176.35 175.27 1sng s THR 262 N 0.32 0.10 -0.18 3.68 -1.32 -1.26 -2.06 115.64 114.93 1sng s THR 262 Ca -0.02 -0.84 -0.09 0.00 -1.21 0.00 0.00 61.69 59.54 1sng s THR 262 Cb -0.03 -0.37 0.07 0.00 -1.51 0.00 0.00 72.50 70.65 1sng s THR 262 CO -0.01 -0.46 0.41 -1.10 -2.21 0.00 0.00 174.62 171.25 1sng s GLN 263 N -1.50 0.37 0.28 7.08 -0.21 -1.23 -5.02 119.66 119.43 1sng s GLN 263 Ca -0.15 0.85 -0.29 0.00 0.02 0.00 0.00 55.36 55.80 1sng s GLN 263 Cb -0.08 0.06 -0.09 0.00 1.00 0.00 0.00 33.01 33.90 1sng s GLN 263 CO -0.00 -0.18 1.04 -1.25 -2.12 0.00 0.00 175.29 172.77 1sng s PRO 264 N 1.72 4.66 -0.09 2.91 0.04 -1.26 -4.09 135.00 138.90 1sng s PRO 264 Ca -0.07 1.66 0.01 0.00 0.04 0.00 0.00 61.00 62.63 1sng s PRO 264 Cb -0.09 -3.14 0.02 0.00 0.04 0.00 0.00 34.50 31.33 1sng s PRO 264 CO -0.13 0.28 -0.09 -1.01 0.04 0.00 0.00 177.00 176.09 1sng s HIS 265 N -1.23 1.40 -0.18 0.56 3.76 0.56 -5.00 115.29 115.15 1sng s HIS 265 Ca 0.45 -0.61 -0.22 0.00 -0.15 0.00 0.00 55.06 54.53 1sng s HIS 265 Cb -0.29 -1.12 -0.02 0.00 1.11 0.00 0.00 32.58 32.27 1sng s HIS 265 CO 0.36 -0.39 0.69 -1.14 -0.85 0.00 0.00 174.74 173.41 1sng s GLN 266 N 1.23 4.25 0.00 1.40 0.74 -1.26 -0.77 119.66 125.24 1sng s GLN 266 Ca -0.04 0.74 0.23 0.00 0.05 0.00 0.00 55.36 56.34 1sng s GLN 266 Cb -0.14 -3.57 0.44 0.00 1.10 0.00 0.00 33.01 30.85 1sng s GLN 266 CO -0.03 -0.24 1.41 1.28 -0.55 0.00 0.00 175.29 177.17 1sng n LEU 267 N 5.01 3.44 0.09 3.68 4.77 -0.47 -4.47 117.00 129.04 1sng n LEU 267 Ca 0.00 -1.49 -0.13 0.00 -0.03 0.00 0.00 56.01 54.37 1sng n LEU 267 Cb 0.50 -0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 41.26 1sng n LEU 267 CO 0.45 0.74 0.82 0.58 -1.33 0.00 0.00 177.39 178.66 1sng h VAL 268 N 4.43 0.90 0.16 4.08 2.07 -1.94 -1.27 116.25 124.68 1sng h VAL 268 Ca 0.00 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1sng h VAL 268 Cb 0.98 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1sng h VAL 268 CO 0.00 0.01 -0.08 -0.33 0.02 0.00 0.00 177.57 177.19 1sng h GLU 269 N -0.18 -0.22 -0.32 1.57 5.08 -1.97 -0.91 114.58 117.64 1sng h GLU 269 Ca -0.02 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1sng h GLU 269 Cb 0.14 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1sng h GLU 269 CO 0.03 -0.15 -0.22 -0.24 -1.00 0.00 0.00 179.01 177.43 1sng h VAL 270 N -0.23 1.26 -0.24 3.13 3.04 -1.84 -1.89 116.25 119.49 1sng h VAL 270 Ca -0.02 -1.27 -0.11 0.00 -1.01 0.00 0.00 66.70 64.30 1sng h VAL 270 Cb 0.18 1.26 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 1sng h VAL 270 CO 0.02 0.41 -0.31 -0.07 -1.01 0.00 0.00 177.57 176.62 1sng h LEU 271 N 0.54 0.49 -0.11 3.16 3.38 -1.08 -0.91 115.31 120.78 1sng h LEU 271 Ca 0.08 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1sng h LEU 271 Cb 0.67 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1sng h LEU 271 CO 0.05 0.78 0.06 0.00 0.09 0.00 0.00 178.44 179.42 1sng h ALA 272 N 1.26 0.14 -0.85 1.53 0.00 -0.81 0.19 119.26 120.72 1sng h ALA 272 Ca 0.05 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1sng h ALA 272 Cb 0.74 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1sng h ALA 272 CO 0.06 -0.33 0.55 0.93 0.00 0.00 0.00 179.25 180.46 1sng h GLU 273 N 0.09 0.77 0.00 0.00 5.08 -1.17 -2.11 114.58 117.25 1sng h GLU 273 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1sng h GLU 273 Cb 0.06 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1sng h GLU 273 CO -0.01 0.51 0.00 0.00 -1.00 0.00 0.00 179.01 178.51 1sng h ALA 274 N 1.58 1.00 0.00 3.43 0.00 -0.59 -3.47 119.26 121.21 1sng h ALA 274 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1sng h ALA 274 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1sng h ALA 274 CO -0.16 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.50 1sng n GLY 275 N 0.79 1.24 3.39 0.00 0.00 -0.52 -4.88 105.19 105.23 1sng n GLY 275 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 1sng n GLY 275 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sng s VAL 276 N -2.00 4.89 0.03 1.61 1.01 0.56 -4.81 120.40 121.70 1sng s VAL 276 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1sng s VAL 276 Cb 0.00 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1sng s VAL 276 CO 0.00 -0.98 0.00 0.54 0.00 0.00 0.00 175.10 174.66 1sng n ARG 277 N 6.14 0.00 -0.28 2.72 1.74 -1.26 -2.59 116.66 123.14 1sng n ARG 277 Ca -0.09 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.13 1sng n ARG 277 Cb 0.43 -0.39 0.41 0.00 -1.02 0.00 0.00 32.46 31.89 1sng n ARG 277 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1sng h THR 278 N 0.00 0.76 -1.08 0.55 2.02 -1.93 -1.67 112.91 111.56 1sng h THR 278 Ca 0.00 -0.21 0.30 0.00 0.77 0.00 0.00 66.41 67.27 1sng h THR 278 Cb 0.59 0.09 -0.10 0.00 -1.74 0.00 0.00 68.15 67.00 1sng h THR 278 CO 0.00 0.11 0.70 0.25 0.37 0.00 0.00 175.52 176.95 1sng h LEU 279 N 0.61 0.41 -3.19 2.58 5.85 -1.88 -1.36 115.31 118.33 1sng h LEU 279 Ca 0.48 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.29 1sng h LEU 279 Cb 0.90 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1sng h LEU 279 CO -0.23 0.03 0.00 0.49 -0.34 0.00 0.00 178.44 178.40 1sng n PHE 280 N -4.65 1.56 -4.42 1.25 3.72 -0.63 -1.94 117.46 112.36 1sng n PHE 280 Ca 0.27 -0.63 -0.21 0.00 -0.05 0.00 0.00 57.45 56.84 1sng n PHE 280 Cb 0.97 -0.28 -0.10 0.00 -0.94 0.00 0.00 39.48 39.13 1sng n PHE 280 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1sng s THR 281 N -1.96 1.52 0.14 4.37 -4.23 -0.53 -4.85 115.64 110.09 1sng s THR 281 Ca 0.52 -2.10 0.32 0.00 -1.18 0.00 0.00 61.69 59.25 1sng s THR 281 Cb 0.34 -2.46 0.33 0.00 1.34 0.00 0.00 72.50 72.05 1sng s THR 281 CO 0.24 -0.28 1.97 0.00 -0.54 0.00 0.00 174.62 176.01 1sng h ALA 282 N 2.29 1.00 0.00 3.99 0.00 -1.92 -0.27 119.26 124.35 1sng h ALA 282 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1sng h ALA 282 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1sng h ALA 282 CO 0.67 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.35 1sng n SER 283 N -2.65 0.00 -4.67 0.00 7.64 -1.26 -4.89 113.62 107.79 1sng n SER 283 Ca -0.02 0.40 -0.43 0.00 1.01 0.00 0.00 58.87 59.83 1sng n SER 283 Cb 0.09 -0.46 -0.01 0.00 -1.01 0.00 0.00 64.21 62.82 1sng n SER 283 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sng n ALA 284 N -1.46 0.95 -3.72 -0.43 0.00 -0.11 -4.94 120.51 110.79 1sng n ALA 284 Ca 0.06 0.38 -0.36 0.00 0.00 0.00 0.00 53.44 53.51 1sng n ALA 284 Cb 0.23 -2.21 -0.12 0.00 0.00 0.00 0.00 19.45 17.35 1sng n ALA 284 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1sng s ASP 285 N -0.23 5.25 -0.43 0.00 -1.08 -1.26 -4.71 116.67 114.21 1sng s ASP 285 Ca 0.59 -1.91 0.05 0.00 -0.52 0.00 0.00 52.55 50.76 1sng s ASP 285 Cb -0.61 -1.83 0.43 0.00 -1.46 0.00 0.00 42.92 39.45 1sng s ASP 285 CO 0.59 -0.51 1.21 0.18 0.52 0.00 0.00 175.17 177.16 1sng n LEU 286 N 4.62 5.01 0.20 -1.34 4.77 -1.26 -1.48 117.00 127.52 1sng n LEU 286 Ca -0.04 -5.04 0.14 0.00 -0.03 0.00 0.00 56.01 51.04 1sng n LEU 286 Cb 0.42 -0.47 0.74 0.00 -2.33 0.00 0.00 43.42 41.77 1sng n LEU 286 CO 0.33 2.16 1.12 0.28 -1.33 0.00 0.00 177.39 179.94 1sng h SER 287 N 2.47 0.00 1.42 -1.43 0.02 -1.75 -0.10 113.55 114.18 1sng h SER 287 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1sng h SER 287 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1sng h SER 287 CO 0.88 0.00 0.00 1.23 -1.14 0.00 0.00 176.83 177.80 1sng h GLY 288 N 0.00 0.00 0.02 -3.77 0.00 -1.18 -3.32 103.07 94.81 1sng h GLY 288 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.14 1sng h GLY 288 CO -0.00 0.00 -1.41 1.39 0.00 0.00 0.00 176.54 176.52 1sng n ILE 289 N -2.91 1.54 -4.09 2.60 5.41 -0.10 -4.32 119.36 117.49 1sng n ILE 289 Ca 0.03 -0.08 -0.11 0.00 1.00 0.00 0.00 62.75 63.59 1sng n ILE 289 Cb 0.40 -2.02 -0.11 0.00 -0.71 0.00 0.00 39.64 37.21 1sng n ILE 289 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1sng s SER 290 N -6.92 0.85 0.00 4.38 0.15 -0.88 -0.46 113.70 110.82 1sng s SER 290 Ca -0.30 -0.76 0.27 0.00 0.70 0.00 0.00 55.95 55.87 1sng s SER 290 Cb 0.07 0.08 0.91 0.00 -1.71 0.00 0.00 66.02 65.37 1sng s SER 290 CO 0.59 -0.36 1.69 0.35 1.20 0.00 0.00 173.24 176.71 1sng n THR 291 N 0.78 0.00 -4.23 6.45 -2.24 -1.26 -4.35 114.28 109.43 1sng n THR 291 Ca -0.18 -0.02 -0.24 0.00 -2.27 0.00 0.00 64.05 61.35 1sng n THR 291 Cb 0.58 -0.08 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 1sng n THR 291 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1sng s VAL 292 N -2.88 3.74 0.42 2.28 -7.23 -1.26 -5.09 120.40 110.38 1sng s VAL 292 Ca 0.16 -1.68 -0.25 0.00 -1.81 0.00 0.00 61.98 58.40 1sng s VAL 292 Cb 0.19 -2.97 -0.10 0.00 0.56 0.00 0.00 36.38 34.05 1sng s VAL 292 CO 0.59 -0.30 1.22 -2.65 -0.31 0.00 0.00 175.10 173.64 1sng n PRO 293 N -0.77 1.79 -3.60 4.82 -0.02 -1.26 -4.95 135.00 131.01 1sng n PRO 293 Ca -0.08 0.64 -0.15 0.00 -2.02 0.00 0.00 63.50 61.89 1sng n PRO 293 Cb 0.58 -2.31 -0.07 0.00 -0.02 0.00 0.00 33.50 31.68 1sng n PRO 293 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1sng s LEU 294 N -1.47 -0.71 0.09 2.45 2.96 -1.26 -5.10 118.68 115.63 1sng s LEU 294 Ca 0.62 1.20 0.01 0.00 -0.22 0.00 0.00 54.13 55.74 1sng s LEU 294 Cb -0.52 2.48 -0.04 0.00 0.50 0.00 0.00 46.19 48.61 1sng s LEU 294 CO 0.57 -0.36 -0.04 -0.72 -1.32 0.00 0.00 176.35 174.48 1sng s TYR 295 N -0.13 0.76 -0.18 5.38 1.13 -1.26 -4.25 117.35 118.81 1sng s TYR 295 Ca -0.03 -1.00 -0.24 0.00 -1.41 0.00 0.00 57.07 54.38 1sng s TYR 295 Cb -0.03 -0.47 -0.02 0.00 -1.10 0.00 0.00 41.96 40.34 1sng s TYR 295 CO 0.04 -0.26 0.80 0.08 -2.51 0.00 0.00 175.55 173.69 1sng s VAL 296 N -3.77 4.90 0.09 -3.49 1.01 -0.82 -4.46 120.40 113.87 1sng s VAL 296 Ca 0.11 1.56 -0.18 0.00 0.00 0.00 0.00 61.98 63.47 1sng s VAL 296 Cb 0.07 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.27 1sng s VAL 296 CO -0.06 0.04 1.51 0.44 0.00 0.00 0.00 175.10 177.02 1sng h ASP 297 N 7.37 0.51 -5.00 3.32 3.32 -0.89 -3.37 116.42 121.69 1sng h ASP 297 Ca -0.29 -0.34 0.05 0.00 0.02 0.00 0.00 57.03 56.47 1sng h ASP 297 Cb 1.13 -0.14 -0.09 0.00 0.22 0.00 0.00 39.33 40.45 1sng h ASP 297 CO 0.83 0.73 0.27 0.28 -1.72 0.00 0.00 179.24 179.63 1sng s THR 298 N -4.88 0.00 -0.13 0.35 -1.32 -1.24 -4.99 115.64 103.43 1sng s THR 298 Ca -0.13 -0.43 0.00 0.00 -1.21 0.00 0.00 61.69 59.92 1sng s THR 298 Cb 0.08 -1.47 0.02 0.00 -1.51 0.00 0.00 72.50 69.62 1sng s THR 298 CO 0.76 0.00 -0.13 -0.69 -2.21 0.00 0.00 174.62 172.35 1sng s VAL 299 N -3.70 1.45 -0.12 5.08 1.01 -1.26 -1.75 120.40 121.11 1sng s VAL 299 Ca 0.06 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1sng s VAL 299 Cb -0.03 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.98 1sng s VAL 299 CO -0.04 0.44 -0.23 -0.63 0.00 0.00 0.00 175.10 174.64 1sng s ILE 300 N 1.43 2.04 0.01 2.22 1.01 -0.21 -1.37 121.20 126.32 1sng s ILE 300 Ca 0.03 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.73 1sng s ILE 300 Cb -0.13 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 1sng s ILE 300 CO -0.09 0.55 -0.13 -2.28 0.00 0.00 0.00 174.94 172.99 1sng s HIS 301 N 0.63 1.16 -0.09 3.97 5.65 0.05 -1.29 115.29 125.37 1sng s HIS 301 Ca -0.12 -0.26 -0.04 0.00 0.25 0.00 0.00 55.06 54.90 1sng s HIS 301 Cb -0.16 -0.73 0.05 0.00 -1.18 0.00 0.00 32.58 30.55 1sng s HIS 301 CO 0.02 -0.00 0.19 -1.14 -0.65 0.00 0.00 174.74 173.16 1sng s GLN 302 N -0.56 0.10 -0.02 2.88 0.74 -0.79 -0.33 119.66 121.67 1sng s GLN 302 Ca 0.04 0.55 0.02 0.00 0.05 0.00 0.00 55.36 56.02 1sng s GLN 302 Cb -0.06 -0.18 -0.03 0.00 1.10 0.00 0.00 33.01 33.84 1sng s GLN 302 CO 0.00 -0.25 -0.05 0.00 -0.55 0.00 0.00 175.29 174.44 1sng s ALA 303 N 1.89 3.07 -0.07 1.58 0.00 -1.26 -1.58 121.76 125.39 1sng s ALA 303 Ca -0.02 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1sng s ALA 303 Cb -0.12 -1.21 0.02 0.00 0.00 0.00 0.00 23.12 21.81 1sng s ALA 303 CO -0.07 0.61 -0.08 0.50 0.00 0.00 0.00 175.76 176.72 1sng s ARG 304 N -1.25 1.28 -0.06 0.00 3.52 0.41 -3.50 118.95 119.34 1sng s ARG 304 Ca 0.16 -0.23 0.03 0.00 -0.13 0.00 0.00 55.73 55.56 1sng s ARG 304 Cb -0.11 -1.22 0.01 0.00 -1.56 0.00 0.00 34.95 32.07 1sng s ARG 304 CO 0.06 -0.10 -0.13 -1.17 -0.81 0.00 0.00 175.30 173.15 1sng s LEU 305 N 1.09 1.73 -0.12 -0.88 2.96 -0.87 -2.08 118.68 120.50 1sng s LEU 305 Ca -0.07 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 1sng s LEU 305 Cb -0.14 -0.84 -0.02 0.00 0.50 0.00 0.00 46.19 45.69 1sng s LEU 305 CO -0.01 0.06 -0.13 -0.60 -1.32 0.00 0.00 176.35 174.35 1sng s ARG 306 N 0.49 3.31 -0.25 1.98 3.52 -1.06 -1.89 118.95 125.05 1sng s ARG 306 Ca -0.12 -0.69 0.02 0.00 -0.13 0.00 0.00 55.73 54.82 1sng s ARG 306 Cb -0.14 -2.60 0.06 0.00 -1.56 0.00 0.00 34.95 30.70 1sng s ARG 306 CO 0.03 0.25 -0.09 0.08 -0.81 0.00 0.00 175.30 174.76 1sng s VAL 307 N 0.26 1.96 0.00 7.11 1.01 0.97 -3.57 120.40 128.14 1sng s VAL 307 Ca -0.09 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 60.40 1sng s VAL 307 Cb -0.16 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.12 1sng s VAL 307 CO 0.05 -0.04 0.00 -0.90 0.00 0.00 0.00 175.10 174.22 1sng n ASP 308 N 4.51 0.00 0.08 3.32 5.68 -1.26 -1.26 116.55 127.62 1sng n ASP 308 Ca -0.14 -0.43 -0.06 0.00 -0.50 0.00 0.00 54.79 53.67 1sng n ASP 308 Cb 0.43 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.51 1sng n ASP 308 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1sng h GLU 309 N 0.00 0.24 0.00 0.11 3.07 -1.94 -3.39 114.58 112.66 1sng h GLU 309 Ca 0.00 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1sng h GLU 309 Cb 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1sng h GLU 309 CO 0.00 0.79 -0.99 0.54 -1.40 0.00 0.00 179.01 177.96 1sng n ARG 310 N -3.85 0.00 -2.17 2.33 1.74 -1.26 -0.77 116.66 112.67 1sng n ARG 310 Ca -0.03 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.01 1sng n ARG 310 Cb 0.64 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 31.15 1sng n ARG 310 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sng n GLY 311 N 3.41 0.24 0.00 -0.13 0.00 -1.25 -2.87 105.19 104.58 1sng n GLY 311 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1sng n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sng n ALA 312 N -1.46 0.00 -0.24 4.61 0.00 -1.26 -4.16 120.51 118.01 1sng n ALA 312 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1sng n ALA 312 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1sng n ALA 312 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1sng n ARG 332 N 0.00 -0.25 -3.48 0.00 1.85 -1.26 -5.14 116.66 108.37 1sng n ARG 332 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.48 1sng n ARG 332 Cb 0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.34 1sng n ARG 332 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1sng s THR 333 N -0.11 5.28 -0.02 8.89 2.01 -1.26 -4.46 115.64 125.97 1sng s THR 333 Ca 0.00 0.63 -0.19 0.00 0.31 0.00 0.00 61.69 62.44 1sng s THR 333 Cb 0.00 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 1sng s THR 333 CO 0.00 0.36 0.53 -0.63 -0.69 0.00 0.00 174.62 174.19 1sng s ILE 334 N 0.59 4.97 -0.15 1.82 -1.09 0.35 -4.87 121.20 122.82 1sng s ILE 334 Ca 0.18 1.10 -0.20 0.00 -2.23 0.00 0.00 60.65 59.50 1sng s ILE 334 Cb -0.13 -3.86 -0.03 0.00 -1.58 0.00 0.00 42.46 36.85 1sng s ILE 334 CO 0.05 0.45 0.60 -0.13 -1.23 0.00 0.00 174.94 174.68 1sng s ARG 335 N -0.32 4.30 -0.41 2.79 3.00 -1.26 0.21 118.95 127.26 1sng s ARG 335 Ca 0.28 0.62 0.02 0.00 0.00 0.00 0.00 55.73 56.65 1sng s ARG 335 Cb -0.17 -3.51 0.13 0.00 0.00 0.00 0.00 34.95 31.39 1sng s ARG 335 CO 0.15 -0.05 0.20 0.12 0.00 0.00 0.00 175.30 175.72 1sng s PHE 336 N 1.28 2.09 -0.32 -0.53 2.19 -0.41 -4.94 117.98 117.34 1sng s PHE 336 Ca 0.30 -2.36 -0.10 0.00 0.33 0.00 0.00 56.93 55.10 1sng s PHE 336 Cb -0.16 -1.96 0.00 0.00 -1.31 0.00 0.00 43.02 39.59 1sng s PHE 336 CO 0.12 -0.81 0.16 -1.12 1.83 0.00 0.00 175.22 175.40 1sng s SER 337 N 0.62 5.60 -1.26 6.13 0.01 -1.26 -1.57 113.70 121.97 1sng s SER 337 Ca 0.16 -0.62 -0.12 0.00 1.31 0.00 0.00 55.95 56.67 1sng s SER 337 Cb -0.23 -2.01 0.16 0.00 0.21 0.00 0.00 66.02 64.15 1sng s SER 337 CO -0.05 -0.24 1.68 0.52 0.41 0.00 0.00 173.24 175.56 1sng n VAL 338 N 4.99 4.25 -1.09 3.43 0.31 0.06 -4.70 118.33 125.57 1sng n VAL 338 Ca -0.13 -4.48 0.08 0.00 -0.01 0.00 0.00 64.34 59.79 1sng n VAL 338 Cb 0.48 -2.42 0.20 0.00 -0.91 0.00 0.00 33.84 31.20 1sng n VAL 338 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1sng n ASP 339 N 5.02 3.00 -3.49 4.52 5.68 -1.26 -4.41 116.55 125.61 1sng n ASP 339 Ca 0.39 -3.15 -0.08 0.00 -0.50 0.00 0.00 54.79 51.46 1sng n ASP 339 Cb 0.40 -0.50 -0.00 0.00 -1.14 0.00 0.00 41.12 39.88 1sng n ASP 339 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sng s ARG 340 N -2.90 1.97 0.23 0.11 1.70 -1.26 -1.32 118.95 117.48 1sng s ARG 340 Ca 0.38 -1.17 -0.30 0.00 -0.47 0.00 0.00 55.73 54.16 1sng s ARG 340 Cb 0.32 0.62 -0.15 0.00 -0.57 0.00 0.00 34.95 35.17 1sng s ARG 340 CO 0.05 -0.91 1.04 -2.30 -1.08 0.00 0.00 175.30 172.09 1sng n PRO 341 N -0.49 1.15 -4.25 3.89 -0.02 -1.26 -4.96 135.00 129.06 1sng n PRO 341 Ca -0.06 0.41 -0.17 0.00 -2.02 0.00 0.00 63.50 61.66 1sng n PRO 341 Cb 0.59 -1.80 -0.09 0.00 -0.02 0.00 0.00 33.50 32.19 1sng n PRO 341 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1sng s PHE 342 N -0.66 1.55 0.05 6.00 -0.71 -0.62 -4.52 117.98 119.07 1sng s PHE 342 Ca 0.66 -1.56 0.04 0.00 -1.04 0.00 0.00 56.93 55.03 1sng s PHE 342 Cb -0.79 -0.65 -0.03 0.00 -1.21 0.00 0.00 43.02 40.35 1sng s PHE 342 CO 0.56 -0.81 -0.12 -1.01 -1.34 0.00 0.00 175.22 172.50 1sng s HIS 343 N -3.66 1.07 -0.05 3.49 3.76 -0.20 -0.83 115.29 118.87 1sng s HIS 343 Ca 0.40 -0.43 0.04 0.00 -0.15 0.00 0.00 55.06 54.92 1sng s HIS 343 Cb 0.04 -0.62 0.00 0.00 1.11 0.00 0.00 32.58 33.11 1sng s HIS 343 CO 0.23 0.02 -0.16 0.42 -0.85 0.00 0.00 174.74 174.40 1sng s ILE 344 N -1.14 1.35 -0.27 0.60 -1.09 0.48 -0.60 121.20 120.52 1sng s ILE 344 Ca -0.03 -0.64 0.01 0.00 -2.23 0.00 0.00 60.65 57.76 1sng s ILE 344 Cb -0.09 -1.18 0.08 0.00 -1.58 0.00 0.00 42.46 39.69 1sng s ILE 344 CO 0.02 0.39 -0.00 -0.69 -1.23 0.00 0.00 174.94 173.43 1sng s VAL 345 N 0.25 1.62 -0.34 2.92 1.01 -0.25 -1.05 120.40 124.57 1sng s VAL 345 Ca -0.08 -1.54 -0.16 0.00 0.00 0.00 0.00 61.98 60.20 1sng s VAL 345 Cb -0.13 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 1sng s VAL 345 CO 0.03 -0.32 0.41 -0.69 0.00 0.00 0.00 175.10 174.53 1sng s VAL 346 N 1.30 5.12 0.13 2.92 1.01 0.04 -0.85 120.40 130.08 1sng s VAL 346 Ca 0.01 0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.19 1sng s VAL 346 Cb -0.19 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1sng s VAL 346 CO -0.10 -0.12 -0.14 0.00 0.00 0.00 0.00 175.10 174.74 1sng s ARG 347 N 2.13 1.03 -0.24 2.72 1.70 -0.08 0.54 118.95 126.74 1sng s ARG 347 Ca 0.14 -1.26 -0.12 0.00 -0.47 0.00 0.00 55.73 54.02 1sng s ARG 347 Cb -0.16 -0.90 0.09 0.00 -0.57 0.00 0.00 34.95 33.41 1sng s ARG 347 CO 0.12 0.17 0.57 0.50 -1.08 0.00 0.00 175.30 175.58 1sng s ARG 348 N -2.75 0.55 -1.49 3.89 3.52 -0.35 -1.64 118.95 120.67 1sng s ARG 348 Ca 0.10 1.14 -0.06 0.00 -0.13 0.00 0.00 55.73 56.78 1sng s ARG 348 Cb -0.04 0.28 0.05 0.00 -1.56 0.00 0.00 34.95 33.67 1sng s ARG 348 CO 0.03 -0.18 0.53 0.54 -0.81 0.00 0.00 175.30 175.42 1sng n ARG 349 N 4.69 -3.34 -0.33 5.12 1.74 -1.26 -1.80 116.66 121.49 1sng n ARG 349 Ca -0.18 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1sng n ARG 349 Cb 0.55 -4.71 0.00 0.00 -1.02 0.00 0.00 32.46 27.28 1sng n ARG 349 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sng n GLY 350 N -1.83 0.91 3.41 -0.13 0.00 -1.25 -4.64 105.19 101.66 1sng n GLY 350 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 1sng n GLY 350 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sng s ALA 351 N -2.79 2.48 -0.42 4.61 0.00 -0.75 -1.49 121.76 123.41 1sng s ALA 351 Ca 0.00 -1.61 -0.19 0.00 0.00 0.00 0.00 51.96 50.16 1sng s ALA 351 Cb 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.81 1sng s ALA 351 CO 0.00 0.43 0.54 0.42 0.00 0.00 0.00 175.76 177.15 1sng s ILE 352 N -1.64 4.96 0.10 0.00 1.01 -1.26 -1.21 121.20 123.15 1sng s ILE 352 Ca 0.20 -0.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.71 1sng s ILE 352 Cb -0.08 -4.10 -0.20 0.00 0.01 0.00 0.00 42.46 38.09 1sng s ILE 352 CO 0.09 -0.46 1.25 -0.07 0.00 0.00 0.00 174.94 175.75 1sng h LEU 353 N 9.35 0.85 -7.73 2.97 3.38 -0.26 -0.72 115.31 123.14 1sng h LEU 353 Ca -0.26 -0.63 -0.31 0.00 0.09 0.00 0.00 57.88 56.76 1sng h LEU 353 Cb 1.11 -0.26 -0.31 0.00 0.09 0.00 0.00 40.66 41.29 1sng h LEU 353 CO 0.83 1.43 -0.74 -0.36 0.09 0.00 0.00 178.44 179.69 1sng s PHE 354 N -3.45 0.30 -0.14 1.13 0.08 -0.95 -4.21 117.98 110.74 1sng s PHE 354 Ca -0.09 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 56.93 1sng s PHE 354 Cb 0.08 -0.28 0.02 0.00 -0.57 0.00 0.00 43.02 42.27 1sng s PHE 354 CO 0.91 -0.06 -0.12 -1.17 -0.10 0.00 0.00 175.22 174.67 1sng s LEU 355 N 0.42 1.55 0.02 -0.37 2.96 -0.14 -0.78 118.68 122.34 1sng s LEU 355 Ca -0.04 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 1sng s LEU 355 Cb -0.07 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.53 1sng s LEU 355 CO -0.01 -0.07 -0.08 -0.83 -1.32 0.00 0.00 176.35 174.04 1sng s GLY 356 N 1.52 0.47 -0.15 7.98 0.00 -0.21 -2.40 107.32 114.53 1sng s GLY 356 Ca 0.04 -0.54 0.01 0.00 0.00 0.00 0.00 44.72 44.23 1sng s GLY 356 CO -0.10 -0.53 -0.16 -0.56 0.00 0.00 0.00 173.10 171.75 1sng s SER 357 N -0.80 2.79 -0.19 1.64 0.01 0.36 -0.38 113.70 117.13 1sng s SER 357 Ca -0.02 -0.53 -0.01 0.00 1.31 0.00 0.00 55.95 56.71 1sng s SER 357 Cb -0.06 -1.26 0.00 0.00 0.21 0.00 0.00 66.02 64.92 1sng s SER 357 CO 0.00 -0.03 -0.13 -0.63 0.41 0.00 0.00 173.24 172.87 1sng s ILE 358 N 1.36 2.73 -0.08 1.44 -1.09 -0.01 -1.53 121.20 124.02 1sng s ILE 358 Ca 0.03 -0.72 0.11 0.00 -2.23 0.00 0.00 60.65 57.84 1sng s ILE 358 Cb -0.13 -2.19 -0.16 0.00 -1.58 0.00 0.00 42.46 38.40 1sng s ILE 358 CO -0.10 0.49 0.11 0.00 -1.23 0.00 0.00 174.94 174.21 1sng n ALA 359 N 4.51 1.96 -3.27 9.38 0.00 -1.26 -1.60 120.51 130.24 1sng n ALA 359 Ca -0.19 -0.60 -0.22 0.00 0.00 0.00 0.00 53.44 52.43 1sng n ALA 359 Cb 0.51 -0.13 -0.08 0.00 0.00 0.00 0.00 19.45 19.75 1sng n ALA 359 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1sng s ASP 360 N -4.06 0.89 0.11 0.00 2.15 -1.26 -4.20 116.67 110.30 1sng s ASP 360 Ca -0.05 -2.66 -0.31 0.00 0.43 0.00 0.00 52.55 49.96 1sng s ASP 360 Cb 0.05 0.10 -0.09 0.00 -0.30 0.00 0.00 42.92 42.67 1sng s ASP 360 CO 0.48 -0.16 1.67 -2.16 -0.17 0.00 0.00 175.17 174.83 1sng s PRO 361 N 0.36 4.19 -0.25 4.34 0.04 -1.26 -4.97 135.00 137.45 1sng s PRO 361 Ca 0.31 2.41 -0.12 0.00 0.04 0.00 0.00 61.00 63.63 1sng s PRO 361 Cb 0.00 -3.45 -0.05 0.00 0.04 0.00 0.00 34.50 31.05 1sng s PRO 361 CO -0.15 -0.72 0.25 -1.58 0.04 0.00 0.00 177.00 174.84 1sng s HIS 362 N 2.19 3.30 -0.26 0.56 2.46 -1.26 -5.00 115.29 117.27 1sng s HIS 362 Ca 0.74 0.31 -0.28 0.00 0.47 0.00 0.00 55.06 56.30 1sng s HIS 362 Cb -0.43 -2.39 0.01 0.00 -0.13 0.00 0.00 32.58 29.64 1sng s HIS 362 CO 0.33 -0.04 1.02 0.34 -2.47 0.00 0.00 174.74 173.91 1sng s ASP 363 N 1.29 7.01 0.23 9.88 2.15 -1.26 -1.26 116.67 134.71 1sng s ASP 363 Ca 0.11 1.23 0.25 0.00 0.43 0.00 0.00 52.55 54.57 1sng s ASP 363 Cb -0.15 -2.52 0.89 0.00 -0.30 0.00 0.00 42.92 40.84 1sng s ASP 363 CO 0.07 -0.70 1.75 -0.81 -0.17 0.00 0.00 175.17 175.31 1sng n PRO 364 N 6.42 0.23 0.00 4.34 -0.04 -1.26 -4.95 135.00 139.74 1sng n PRO 364 Ca 0.11 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1sng n PRO 364 Cb 0.47 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 1sng n PRO 364 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sng n GLY 365 N 0.75 0.77 0.22 0.55 0.00 -1.26 -4.68 105.19 101.54 1sng n GLY 365 Ca 0.04 -2.04 0.11 0.00 0.00 0.00 0.00 46.02 44.13 1sng n GLY 365 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sng h PRO 366 N 0.00 0.00 -0.03 1.61 0.13 -2.02 -3.50 132.00 128.20 1sng h PRO 366 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1sng h PRO 366 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1sng h PRO 366 CO 0.00 0.18 0.00 0.00 -0.23 0.00 0.00 178.00 177.95