#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1grg s ALA 19 N 0.00 3.24 -0.05 3.52 0.00 -1.08 -4.88 121.76 122.51 1grg s ALA 19 Ca 0.00 0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.59 1grg s ALA 19 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 1grg s ALA 19 CO 0.00 -0.12 -0.09 0.45 0.00 0.00 0.00 175.76 176.00 1grg s SER 20 N 0.29 4.45 0.31 0.00 0.15 -1.26 -1.22 113.70 116.42 1grg s SER 20 Ca 0.49 -0.10 0.03 0.00 0.70 0.00 0.00 55.95 57.07 1grg s SER 20 Cb -0.24 -1.05 -0.05 0.00 -1.71 0.00 0.00 66.02 62.97 1grg s SER 20 CO 0.30 0.34 0.10 -0.31 1.20 0.00 0.00 173.24 174.87 1grg s TYR 21 N -0.82 1.72 0.06 3.44 1.51 -0.58 -4.97 117.35 117.71 1grg s TYR 21 Ca 0.13 -1.15 0.01 0.00 -1.01 0.00 0.00 57.07 55.05 1grg s TYR 21 Cb -0.11 -1.06 -0.25 0.00 -0.11 0.00 0.00 41.96 40.43 1grg s TYR 21 CO 0.02 -0.25 1.07 -0.44 -1.11 0.00 0.00 175.55 174.85 1grg h ASP 22 N 2.19 0.25 -3.23 2.29 3.32 -0.70 -3.37 116.42 117.17 1grg h ASP 22 Ca -0.38 -0.29 -0.17 0.00 0.02 0.00 0.00 57.03 56.21 1grg h ASP 22 Cb 1.25 -0.08 -0.29 0.00 0.22 0.00 0.00 39.33 40.43 1grg h ASP 22 CO 0.62 1.24 -0.43 -0.47 -1.72 0.00 0.00 179.24 178.48 1grg s TYR 23 N -2.66 -0.44 -0.16 4.55 5.04 -0.89 -3.64 117.35 119.15 1grg s TYR 23 Ca -0.04 0.98 0.01 0.00 -2.44 0.00 0.00 57.07 55.59 1grg s TYR 23 Cb 0.08 0.11 0.01 0.00 0.35 0.00 0.00 41.96 42.51 1grg s TYR 23 CO 0.85 -0.29 -0.18 -0.51 -1.34 0.00 0.00 175.55 174.09 1grg s LEU 24 N 1.48 2.31 -0.21 6.97 1.43 -0.96 -1.90 118.68 127.80 1grg s LEU 24 Ca -0.08 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.44 1grg s LEU 24 Cb -0.10 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 1grg s LEU 24 CO -0.10 0.05 -0.06 -0.69 0.23 0.00 0.00 176.35 175.78 1grg s VAL 25 N 1.00 3.24 -0.44 -1.59 1.01 -0.72 -0.61 120.40 122.30 1grg s VAL 25 Ca -0.02 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 1grg s VAL 25 Cb -0.15 -2.46 0.04 0.00 0.00 0.00 0.00 36.38 33.81 1grg s VAL 25 CO -0.04 0.45 0.37 -0.63 0.00 0.00 0.00 175.10 175.25 1grg s ILE 26 N 1.32 5.20 0.00 2.22 1.01 0.36 -0.22 121.20 131.08 1grg s ILE 26 Ca 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1grg s ILE 26 Cb -0.14 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.30 1grg s ILE 26 CO -0.03 -0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.08 1grg n GLY 27 N 5.16 3.42 2.53 6.18 0.00 0.06 0.53 105.19 123.08 1grg n GLY 27 Ca -0.10 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 1grg n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1grg n GLY 28 N 0.41 5.87 0.00 -0.02 0.00 -1.24 -4.22 105.19 105.99 1grg n GLY 28 Ca 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 46.02 43.48 1grg n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1grg n GLY 29 N -0.65 2.16 0.38 -0.02 0.00 -1.26 -1.51 105.19 104.30 1grg n GLY 29 Ca 0.51 -2.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.36 1grg n GLY 29 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1grg h SER 30 N 0.00 -1.57 -0.32 1.61 0.02 -1.94 -0.45 113.55 110.91 1grg h SER 30 Ca 0.00 0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1grg h SER 30 Cb 0.00 0.64 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1grg h SER 30 CO 0.00 -0.34 0.07 1.23 -1.14 0.00 0.00 176.83 176.65 1grg h GLY 31 N -0.34 0.56 0.94 -3.77 0.00 -1.87 -1.99 103.07 96.60 1grg h GLY 31 Ca 0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1grg h GLY 31 CO -0.50 0.33 -0.14 -1.33 0.00 0.00 0.00 176.54 174.91 1grg h GLY 32 N 0.36 -0.40 0.93 4.60 0.00 -1.70 -1.93 103.07 104.93 1grg h GLY 32 Ca 0.10 0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.59 1grg h GLY 32 CO 0.00 -0.15 0.07 1.41 0.00 0.00 0.00 176.54 177.87 1grg h LEU 33 N -0.45 0.10 -0.68 3.11 3.38 -1.13 -1.33 115.31 118.30 1grg h LEU 33 Ca -0.04 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.00 1grg h LEU 33 Cb 0.34 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 1grg h LEU 33 CO 0.06 0.08 0.38 0.00 0.09 0.00 0.00 178.44 179.06 1grg h ALA 34 N 1.07 0.91 -0.26 1.53 0.00 -1.34 -0.32 119.26 120.85 1grg h ALA 34 Ca 0.06 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1grg h ALA 34 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1grg h ALA 34 CO -0.04 0.07 -0.12 1.03 0.00 0.00 0.00 179.25 180.18 1grg h SER 35 N 0.71 0.56 -0.56 0.00 0.87 -1.24 -2.50 113.55 111.38 1grg h SER 35 Ca 0.30 -0.40 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1grg h SER 35 Cb 0.18 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1grg h SER 35 CO -0.18 0.84 0.35 0.00 -0.53 0.00 0.00 176.83 177.30 1grg h ALA 36 N 0.74 0.71 -0.62 6.23 0.00 -0.87 -0.82 119.26 124.62 1grg h ALA 36 Ca 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1grg h ALA 36 Cb 0.62 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1grg h ALA 36 CO 0.04 0.18 0.30 0.00 0.00 0.00 0.00 179.25 179.77 1grg h ARG 37 N 0.75 0.89 -0.21 0.00 3.08 -1.07 -0.67 114.38 117.16 1grg h ARG 37 Ca 0.20 -0.13 -0.18 0.00 0.07 0.00 0.00 59.98 59.94 1grg h ARG 37 Cb -0.03 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.86 1grg h ARG 37 CO -0.04 0.71 -0.57 -0.09 -1.07 0.00 0.00 179.97 178.91 1grg h ARG 38 N 0.85 0.75 -0.23 0.04 9.65 -1.29 -2.25 114.38 121.90 1grg h ARG 38 Ca 0.21 -0.53 0.04 0.00 -1.10 0.00 0.00 59.98 58.60 1grg h ARG 38 Cb 0.12 0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.75 1grg h ARG 38 CO -0.03 1.15 0.01 0.00 2.80 0.00 0.00 179.97 183.91 1grg h ALA 39 N 0.60 0.22 -0.95 2.80 0.00 -0.91 -2.32 119.26 118.69 1grg h ALA 39 Ca -0.01 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1grg h ALA 39 Cb 1.19 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 1grg h ALA 39 CO 0.12 -0.41 0.62 0.00 0.00 0.00 0.00 179.25 179.58 1grg h ALA 40 N 1.19 1.47 -0.05 0.00 0.00 -1.00 -0.26 119.26 120.61 1grg h ALA 40 Ca 0.11 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1grg h ALA 40 Cb 0.13 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1grg h ALA 40 CO -0.17 0.38 0.04 0.93 0.00 0.00 0.00 179.25 180.43 1grg h GLU 41 N 1.09 0.00 -0.02 0.00 5.08 -0.88 -0.57 114.58 119.28 1grg h GLU 41 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1grg h GLU 41 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1grg h GLU 41 CO -0.16 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.13 1grg n LEU 42 N -4.27 1.17 0.00 1.33 4.77 -0.17 -4.91 117.00 114.92 1grg n LEU 42 Ca -0.02 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1grg n LEU 42 Cb 0.14 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1grg n LEU 42 CO 0.32 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1grg n GLY 43 N 1.13 0.39 3.77 -0.72 0.00 -0.22 -4.96 105.19 104.58 1grg n GLY 43 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1grg n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grg s ALA 44 N -2.00 3.14 -0.49 4.61 0.00 -0.80 -4.96 121.76 121.27 1grg s ALA 44 Ca 0.00 1.21 -0.19 0.00 0.00 0.00 0.00 51.96 52.98 1grg s ALA 44 Cb 0.00 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.69 1grg s ALA 44 CO 0.00 -0.89 0.59 0.50 0.00 0.00 0.00 175.76 175.95 1grg s ARG 45 N -2.43 3.13 0.22 0.00 6.06 -1.26 -4.23 118.95 120.44 1grg s ARG 45 Ca 0.60 -0.85 0.10 0.00 -2.50 0.00 0.00 55.73 53.08 1grg s ARG 45 Cb -0.37 -4.07 -0.04 0.00 0.06 0.00 0.00 34.95 30.53 1grg s ARG 45 CO 0.47 -1.14 -0.12 0.00 -2.50 0.00 0.00 175.30 172.01 1grg s ALA 46 N 2.52 2.89 0.00 6.12 0.00 -1.26 0.04 121.76 132.07 1grg s ALA 46 Ca 0.15 -1.62 -0.01 0.00 0.00 0.00 0.00 51.96 50.48 1grg s ALA 46 Cb -0.19 -0.59 -0.00 0.00 0.00 0.00 0.00 23.12 22.34 1grg s ALA 46 CO 0.12 0.38 0.01 0.00 0.00 0.00 0.00 175.76 176.27 1grg s ALA 47 N -1.99 -0.01 -0.15 0.00 0.00 -0.80 -2.17 121.76 116.64 1grg s ALA 47 Ca 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1grg s ALA 47 Cb -0.07 0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 1grg s ALA 47 CO 0.15 -0.06 -0.15 0.08 0.00 0.00 0.00 175.76 175.78 1grg s VAL 48 N -0.46 2.71 -0.16 0.00 1.01 0.11 -1.76 120.40 121.84 1grg s VAL 48 Ca -0.05 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.02 1grg s VAL 48 Cb -0.03 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1grg s VAL 48 CO -0.00 0.52 0.33 -0.69 0.00 0.00 0.00 175.10 175.26 1grg s VAL 49 N 0.74 5.27 -0.05 2.92 1.01 0.69 0.22 120.40 131.20 1grg s VAL 49 Ca -0.07 0.63 -0.02 0.00 0.00 0.00 0.00 61.98 62.53 1grg s VAL 49 Cb -0.15 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.59 1grg s VAL 49 CO 0.01 0.36 0.09 -0.70 0.00 0.00 0.00 175.10 174.86 1grg s GLU 50 N 0.64 0.02 0.07 2.72 2.56 -0.44 -0.76 118.70 123.51 1grg s GLU 50 Ca 0.18 0.32 0.22 0.00 0.00 0.00 0.00 54.97 55.70 1grg s GLU 50 Cb -0.14 -0.25 -0.14 0.00 2.00 0.00 0.00 34.13 35.61 1grg s GLU 50 CO 0.05 -0.20 0.80 -1.13 -0.56 0.00 0.00 175.26 174.23 1grg n SER 51 N 4.43 0.46 0.00 -1.70 3.41 -0.96 -0.45 113.62 118.81 1grg n SER 51 Ca -0.22 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1grg n SER 51 Cb 0.51 1.16 0.00 0.00 -0.26 0.00 0.00 64.21 65.62 1grg n SER 51 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1grg n HIS 52 N -2.34 0.00 -4.26 7.33 8.25 -1.26 -4.59 115.22 118.34 1grg n HIS 52 Ca -0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.09 1grg n HIS 52 Cb 0.53 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.55 1grg n HIS 52 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1grg s LYS 53 N 2.88 3.13 0.76 -0.41 1.02 -1.26 -5.02 119.74 120.83 1grg s LYS 53 Ca 0.00 -0.35 -0.13 0.00 0.02 0.00 0.00 55.97 55.50 1grg s LYS 53 Cb 0.00 -2.89 0.05 0.00 -0.52 0.00 0.00 37.83 34.47 1grg s LYS 53 CO 0.00 0.69 1.16 -0.51 -0.92 0.00 0.00 175.35 175.77 1grg s LEU 54 N -0.84 3.20 0.00 3.17 1.43 -1.26 -2.44 118.68 121.94 1grg s LEU 54 Ca 0.13 2.18 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 1grg s LEU 54 Cb -0.12 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.54 1grg s LEU 54 CO 0.03 -2.27 0.00 0.61 0.23 0.00 0.00 176.35 174.95 1grg n GLY 55 N -0.04 2.77 7.00 -3.19 0.00 -0.57 -4.78 105.19 106.38 1grg n GLY 55 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1grg n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1grg n GLY 56 N -0.14 2.03 0.99 -0.02 0.00 -1.02 -3.45 105.19 103.58 1grg n GLY 56 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1grg n GLY 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1grg n THR 57 N 0.00 0.00 0.00 2.61 -1.04 -1.26 -2.33 114.28 112.26 1grg n THR 57 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1grg n THR 57 Cb 0.00 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 1grg n THR 57 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1grg n VAL 59 N 0.98 0.00 -0.00 12.58 0.31 -1.22 -0.71 118.33 130.27 1grg n VAL 59 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.13 1grg n VAL 59 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 1grg n VAL 59 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1grg h ASN 60 N 0.00 0.31 -0.04 4.52 2.35 -1.73 -3.39 115.58 117.60 1grg h ASN 60 Ca 0.00 -0.86 -0.18 0.00 -0.55 0.00 0.00 56.30 54.71 1grg h ASN 60 Cb 0.00 -0.10 -0.38 0.00 0.05 0.00 0.00 38.32 37.89 1grg h ASN 60 CO 0.00 1.48 -1.03 1.33 -1.65 0.00 0.00 177.43 177.55 1grg n VAL 61 N -4.11 0.16 0.00 2.81 0.24 -0.43 -4.87 118.33 112.13 1grg n VAL 61 Ca -0.21 -1.22 0.00 0.00 -2.04 0.00 0.00 64.34 60.87 1grg n VAL 61 Cb 0.81 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 34.17 1grg n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1grg n GLY 62 N 0.37 4.59 0.14 7.63 0.00 0.12 -4.83 105.19 113.22 1grg n GLY 62 Ca 0.06 -0.57 -0.04 0.00 0.00 0.00 0.00 46.02 45.48 1grg n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grg h VAL 64 N 0.00 0.00 -0.68 0.00 2.07 -1.89 -1.50 116.25 114.25 1grg h VAL 64 Ca 0.05 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.59 1grg h VAL 64 Cb 0.14 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.87 1grg h VAL 64 CO -0.32 0.00 0.45 1.55 0.02 0.00 0.00 177.57 179.27 1grg h PRO 65 N -0.88 0.60 -0.22 1.57 0.13 -1.75 -1.77 132.00 129.68 1grg h PRO 65 Ca -0.08 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 65.02 1grg h PRO 65 Cb 0.63 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.61 1grg h PRO 65 CO 0.14 0.40 0.11 -0.22 -0.23 0.00 0.00 178.00 178.20 1grg h LYS 66 N 0.62 0.23 -0.84 0.86 3.11 -1.19 -2.41 116.57 116.96 1grg h LYS 66 Ca 0.30 -0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 58.10 1grg h LYS 66 Cb 0.38 -0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.52 1grg h LYS 66 CO -0.10 0.15 0.39 -0.22 -2.81 0.00 0.00 179.45 176.87 1grg h LYS 67 N 0.24 1.21 -0.40 1.90 1.63 -0.42 0.14 116.57 120.87 1grg h LYS 67 Ca 0.09 -0.18 -0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1grg h LYS 67 Cb 0.02 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.42 1grg h LYS 67 CO -0.06 0.93 0.23 0.28 -3.45 0.00 0.00 179.45 177.38 1grg h VAL 68 N 1.19 1.14 -0.31 2.00 2.07 -1.36 -0.03 116.25 120.96 1grg h VAL 68 Ca 0.29 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 1grg h VAL 68 Cb 0.13 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1grg h VAL 68 CO -0.03 0.14 -0.11 0.24 0.02 0.00 0.00 177.57 177.82 1grg h MET 69 N 0.52 0.52 -0.41 1.57 2.86 -0.84 -2.08 114.93 117.06 1grg h MET 69 Ca 0.14 -0.15 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1grg h MET 69 Cb 0.02 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1grg h MET 69 CO -0.03 0.63 -0.01 2.35 1.06 0.00 0.00 176.91 180.92 1grg h TRP 70 N 0.48 0.80 -0.38 -0.22 7.01 -0.27 -1.22 115.95 122.14 1grg h TRP 70 Ca 0.09 -0.14 -0.01 0.00 2.11 0.00 0.00 58.89 60.93 1grg h TRP 70 Cb 0.49 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.32 1grg h TRP 70 CO 0.02 0.81 0.18 -0.91 -2.79 0.00 0.00 178.44 175.74 1grg h ASN 71 N 0.56 0.47 -0.21 2.65 2.35 -0.73 0.58 115.58 121.24 1grg h ASN 71 Ca 0.12 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 1grg h ASN 71 Cb 0.49 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1grg h ASN 71 CO 0.02 0.41 -0.05 0.74 -1.65 0.00 0.00 177.43 176.90 1grg h THR 72 N 0.53 1.29 -0.69 2.81 2.02 -1.05 -2.30 112.91 115.52 1grg h THR 72 Ca 0.13 -1.04 -0.06 0.00 0.77 0.00 0.00 66.41 66.21 1grg h THR 72 Cb 0.07 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 1grg h THR 72 CO -0.02 0.32 0.19 0.00 0.37 0.00 0.00 175.52 176.38 1grg h ALA 73 N 0.74 1.04 -0.64 6.16 0.00 -0.49 -2.15 119.26 123.92 1grg h ALA 73 Ca 0.05 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1grg h ALA 73 Cb 0.51 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1grg h ALA 73 CO 0.02 0.64 0.42 0.28 0.00 0.00 0.00 179.25 180.61 1grg h VAL 74 N 1.03 1.09 -0.65 0.00 2.07 -0.84 -1.95 116.25 117.00 1grg h VAL 74 Ca 0.22 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1grg h VAL 74 Cb 0.32 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1grg h VAL 74 CO -0.00 0.14 0.24 -0.74 0.02 0.00 0.00 177.57 177.22 1grg h HIS 75 N 0.76 1.01 -0.48 1.57 2.76 -0.80 -1.84 115.15 118.13 1grg h HIS 75 Ca 0.25 -0.09 0.04 0.00 -2.20 0.00 0.00 60.37 58.38 1grg h HIS 75 Cb 0.06 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 28.68 1grg h HIS 75 CO -0.00 0.81 0.23 1.03 -1.30 0.00 0.00 177.93 178.70 1grg h SER 76 N 0.93 0.33 -0.24 3.26 0.87 -1.01 -1.16 113.55 116.52 1grg h SER 76 Ca 0.21 0.03 -0.18 0.00 -1.23 0.00 0.00 61.79 60.62 1grg h SER 76 Cb 0.24 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1grg h SER 76 CO -0.01 0.23 -0.53 -0.33 -0.53 0.00 0.00 176.83 175.65 1grg h GLU 77 N 0.46 0.83 -0.51 2.24 5.08 -1.23 -3.02 114.58 118.43 1grg h GLU 77 Ca 0.21 -0.52 -0.08 0.00 -1.00 0.00 0.00 59.36 57.98 1grg h GLU 77 Cb 0.13 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1grg h GLU 77 CO -0.15 1.15 0.02 0.74 -1.00 0.00 0.00 179.01 179.76 1grg h PHE 78 N 0.64 0.96 -0.28 4.33 0.04 -1.30 -2.42 116.94 118.91 1grg h PHE 78 Ca 0.02 -0.16 0.08 0.00 2.80 0.00 0.00 57.97 60.71 1grg h PHE 78 Cb 1.13 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 39.02 1grg h PHE 78 CO 0.07 0.89 0.28 1.98 -0.60 0.00 0.00 178.31 180.93 1grg h MET 79 N 0.75 0.00 0.00 1.51 1.85 -1.15 0.11 114.93 118.00 1grg h MET 79 Ca 0.15 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.19 1grg h MET 79 Cb 0.49 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.52 1grg h MET 79 CO 0.02 0.00 -0.23 0.45 -0.40 0.00 0.00 176.91 176.75 1grg h HIS 80 N 0.00 0.00 -0.03 1.39 3.86 -1.31 -2.93 115.15 116.13 1grg h HIS 80 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1grg h HIS 80 Cb 0.70 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.17 1grg h HIS 80 CO 0.00 0.23 0.00 -0.25 0.86 0.00 0.00 177.93 178.77 1grg n ASP 81 N -3.62 1.96 0.02 2.45 8.00 0.37 -4.57 116.55 121.16 1grg n ASP 81 Ca -0.01 -1.66 -0.10 0.00 0.71 0.00 0.00 54.79 53.74 1grg n ASP 81 Cb 0.37 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 1grg n ASP 81 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 1grg h HIS 82 N 3.03 -0.44 -0.87 1.24 2.76 -1.45 -2.19 115.15 117.23 1grg h HIS 82 Ca 0.00 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1grg h HIS 82 Cb 0.65 0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.77 1grg h HIS 82 CO 0.01 -0.25 0.46 0.00 -1.30 0.00 0.00 177.93 176.86 1grg h ALA 83 N 0.77 1.18 -0.04 5.26 0.00 -1.81 -1.03 119.26 123.59 1grg h ALA 83 Ca 0.08 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1grg h ALA 83 Cb 0.35 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1grg h ALA 83 CO -0.23 0.65 0.07 -0.44 0.00 0.00 0.00 179.25 179.31 1grg h ASP 84 N 1.22 0.00 -0.56 0.00 3.32 -1.69 -0.88 116.42 117.84 1grg h ASP 84 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1grg h ASP 84 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1grg h ASP 84 CO -0.05 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.25 1grg n TYR 85 N -3.50 0.99 -0.16 4.55 4.01 -0.42 -4.86 117.16 117.76 1grg n TYR 85 Ca -0.02 -0.43 0.00 0.00 -0.16 0.00 0.00 57.90 57.29 1grg n TYR 85 Cb 0.16 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 1grg n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1grg n GLY 86 N 1.21 0.75 3.90 2.72 0.00 -0.33 -5.06 105.19 108.38 1grg n GLY 86 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 1grg n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1grg s PHE 87 N -2.16 2.16 0.29 1.61 0.40 -1.02 -5.02 117.98 114.25 1grg s PHE 87 Ca 0.00 -0.65 -0.23 0.00 -0.60 0.00 0.00 56.93 55.45 1grg s PHE 87 Cb 0.00 -2.08 -0.09 0.00 0.51 0.00 0.00 43.02 41.35 1grg s PHE 87 CO 0.00 -0.37 0.86 -2.14 0.70 0.00 0.00 175.22 174.27 1grg s PRO 88 N -4.25 4.43 0.22 0.24 0.02 -1.26 -3.89 135.00 130.52 1grg s PRO 88 Ca 0.45 1.14 -0.32 0.00 0.02 0.00 0.00 61.00 62.29 1grg s PRO 88 Cb -0.03 -2.78 -0.14 0.00 0.02 0.00 0.00 34.50 31.57 1grg s PRO 88 CO 0.27 0.30 1.41 0.45 -0.33 0.00 0.00 177.00 179.09 1grg n SER 89 N 0.52 2.67 -4.69 2.53 2.88 -1.26 -4.58 113.62 111.67 1grg n SER 89 Ca 0.01 1.14 -0.38 0.00 -1.33 0.00 0.00 58.87 58.30 1grg n SER 89 Cb 0.51 -1.41 -0.07 0.00 -0.75 0.00 0.00 64.21 62.49 1grg n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1grg n GLU 91 N 4.13 0.32 0.00 0.00 0.28 -1.26 -5.03 120.64 119.09 1grg n GLU 91 Ca -0.08 0.05 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 1grg n GLU 91 Cb 0.51 -1.66 0.00 0.00 1.43 0.00 0.00 31.44 31.73 1grg n GLU 91 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1grg n GLY 92 N 1.34 4.79 3.69 -1.84 0.00 -1.26 -5.06 105.19 106.84 1grg n GLY 92 Ca 0.02 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1grg n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1grg s LYS 93 N 2.86 4.21 0.22 1.61 -2.85 -1.26 -5.01 119.74 119.53 1grg s LYS 93 Ca 0.00 2.26 -0.30 0.00 -1.00 0.00 0.00 55.97 56.93 1grg s LYS 93 Cb 0.00 -3.61 -0.09 0.00 -2.06 0.00 0.00 37.83 32.08 1grg s LYS 93 CO 0.00 -0.71 1.05 0.12 0.10 0.00 0.00 175.35 175.92 1grg s PHE 94 N 2.64 3.70 -0.40 1.78 5.36 -1.26 -5.01 117.98 124.79 1grg s PHE 94 Ca 0.72 1.72 -0.05 0.00 -0.96 0.00 0.00 56.93 58.36 1grg s PHE 94 Cb -0.38 -3.19 0.09 0.00 -0.34 0.00 0.00 43.02 39.20 1grg s PHE 94 CO 0.31 -0.28 0.20 1.21 -1.46 0.00 0.00 175.22 175.20 1grg s ASN 95 N -0.63 5.35 0.18 6.13 3.84 -1.26 -4.95 114.94 123.61 1grg s ASN 95 Ca 0.45 -1.72 -0.13 0.00 0.21 0.00 0.00 52.86 51.67 1grg s ASN 95 Cb -0.29 -1.87 0.12 0.00 -0.55 0.00 0.00 41.25 38.66 1grg s ASN 95 CO 0.36 -0.51 1.82 -0.25 -2.79 0.00 0.00 177.10 175.74 1grg h TRP 96 N 8.19 0.63 0.00 0.43 2.91 -1.95 -2.90 115.95 123.26 1grg h TRP 96 Ca -0.18 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 59.83 1grg h TRP 96 Cb 1.06 -0.20 -0.00 0.00 -0.51 0.00 0.00 29.16 29.50 1grg h TRP 96 CO 0.59 0.36 -0.15 0.07 -1.03 0.00 0.00 178.44 178.28 1grg h ARG 97 N 0.67 0.00 -0.12 2.65 0.11 -1.93 0.28 114.38 116.04 1grg h ARG 97 Ca 0.23 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.30 1grg h ARG 97 Cb 0.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.10 1grg h ARG 97 CO -0.10 0.15 0.07 0.28 0.10 0.00 0.00 179.97 180.47 1grg h VAL 98 N 0.00 1.10 0.00 0.08 2.07 -1.89 -1.01 116.25 116.59 1grg h VAL 98 Ca -0.00 -0.27 -0.17 0.00 0.82 0.00 0.00 66.70 67.08 1grg h VAL 98 Cb 0.39 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1grg h VAL 98 CO 0.02 0.09 -0.79 -0.29 0.02 0.00 0.00 177.57 176.61 1grg h ILE 99 N 0.09 1.40 -0.57 4.57 6.09 -1.55 -2.80 117.51 124.75 1grg h ILE 99 Ca 0.04 -2.88 -0.10 0.00 -1.37 0.00 0.00 64.86 60.55 1grg h ILE 99 Cb 0.08 2.63 -0.02 0.00 0.47 0.00 0.00 36.82 39.98 1grg h ILE 99 CO -0.01 0.78 -0.02 0.50 -3.07 0.00 0.00 178.15 176.33 1grg h LYS 100 N 0.00 1.00 -0.57 2.19 3.64 -0.62 -0.42 116.57 121.79 1grg h LYS 100 Ca -0.01 -0.32 -0.11 0.00 -1.27 0.00 0.00 60.65 58.95 1grg h LYS 100 Cb 1.57 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.28 1grg h LYS 100 CO 0.10 1.00 -0.07 0.93 -2.27 0.00 0.00 179.45 179.14 1grg h GLU 101 N 0.91 1.05 -0.18 1.90 5.08 -1.14 -1.55 114.58 120.65 1grg h GLU 101 Ca 0.16 -0.37 -0.11 0.00 -1.00 0.00 0.00 59.36 58.04 1grg h GLU 101 Cb 0.56 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1grg h GLU 101 CO 0.03 1.06 -0.36 0.87 -1.00 0.00 0.00 179.01 179.61 1grg h LYS 102 N 0.94 0.39 -0.24 2.33 1.57 -1.28 -2.10 116.57 118.19 1grg h LYS 102 Ca 0.15 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1grg h LYS 102 Cb 0.63 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1grg h LYS 102 CO 0.04 0.70 -0.16 -0.09 -0.57 0.00 0.00 179.45 179.37 1grg h ARG 103 N 0.33 0.53 -0.95 3.15 2.43 -0.85 -2.49 114.38 116.54 1grg h ARG 103 Ca 0.04 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1grg h ARG 103 Cb 0.79 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.29 1grg h ARG 103 CO 0.06 0.82 0.60 -0.44 -1.51 0.00 0.00 179.97 179.50 1grg h ASP 104 N 0.24 1.12 -0.46 -3.80 3.32 -1.13 -1.54 116.42 114.17 1grg h ASP 104 Ca 0.05 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1grg h ASP 104 Cb 0.69 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1grg h ASP 104 CO 0.04 0.84 0.24 0.00 -1.72 0.00 0.00 179.24 178.64 1grg h ALA 105 N 1.36 0.59 -0.64 3.45 0.00 -1.34 -1.40 119.26 121.28 1grg h ALA 105 Ca 0.34 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1grg h ALA 105 Cb -0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1grg h ALA 105 CO -0.07 0.13 0.21 -0.92 0.00 0.00 0.00 179.25 178.61 1grg h TYR 106 N 0.60 0.99 -0.39 0.00 3.20 -0.97 -0.12 116.97 120.28 1grg h TYR 106 Ca 0.16 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 1grg h TYR 106 Cb 0.08 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 1grg h TYR 106 CO -0.01 0.79 -0.02 0.28 -1.64 0.00 0.00 178.16 177.55 1grg h VAL 107 N 0.94 1.22 -0.55 1.81 2.07 -1.01 -2.01 116.25 118.73 1grg h VAL 107 Ca 0.21 -0.93 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 1grg h VAL 107 Cb 0.25 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1grg h VAL 107 CO -0.01 0.32 0.11 0.28 0.02 0.00 0.00 177.57 178.28 1grg h SER 108 N 0.60 0.86 -0.62 0.57 0.02 -0.18 -0.62 113.55 114.19 1grg h SER 108 Ca 0.12 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1grg h SER 108 Cb 0.41 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1grg h SER 108 CO 0.02 0.89 0.40 0.03 -1.14 0.00 0.00 176.83 177.03 1grg h ARG 109 N 0.80 0.79 -0.51 3.45 3.08 -0.72 -2.61 114.38 118.65 1grg h ARG 109 Ca 0.17 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 1grg h ARG 109 Cb 0.38 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1grg h ARG 109 CO 0.01 0.53 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.36 1grg h LEU 110 N 0.82 0.89 -1.43 3.04 3.38 -1.15 -2.34 115.31 118.52 1grg h LEU 110 Ca 0.23 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1grg h LEU 110 Cb -0.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 1grg h LEU 110 CO -0.06 0.98 0.39 0.78 0.09 0.00 0.00 178.44 180.63 1grg h ASN 111 N 0.78 0.67 0.12 -0.43 -0.26 -0.90 -2.09 115.58 113.47 1grg h ASN 111 Ca 0.15 -0.02 -0.15 0.00 -0.56 0.00 0.00 56.30 55.72 1grg h ASN 111 Cb 0.53 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 1grg h ASN 111 CO 0.03 0.48 -0.54 0.00 -1.06 0.00 0.00 177.43 176.34 1grg h ALA 112 N 1.63 0.79 -0.50 -0.83 0.00 -1.09 -2.43 119.26 116.83 1grg h ALA 112 Ca 0.22 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1grg h ALA 112 Cb -0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1grg h ALA 112 CO -0.05 0.69 0.15 0.82 0.00 0.00 0.00 179.25 180.86 1grg h ILE 113 N 0.35 1.23 -0.61 0.00 2.04 -1.12 -1.67 117.51 117.73 1grg h ILE 113 Ca 0.01 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 65.04 1grg h ILE 113 Cb 1.05 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1grg h ILE 113 CO 0.10 0.28 0.13 1.88 0.00 0.00 0.00 178.15 180.54 1grg h TYR 114 N 0.67 1.00 -0.30 1.37 0.05 -1.25 0.22 116.97 118.73 1grg h TYR 114 Ca 0.16 -0.11 -0.04 0.00 0.05 0.00 0.00 58.73 58.80 1grg h TYR 114 Cb 0.28 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 1grg h TYR 114 CO 0.01 0.83 0.05 0.37 -1.05 0.00 0.00 178.16 178.37 1grg h GLN 115 N 0.91 0.50 -0.88 4.88 4.15 -1.31 -2.20 115.11 121.16 1grg h GLN 115 Ca 0.19 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 1grg h GLN 115 Cb 0.35 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.94 1grg h GLN 115 CO 0.00 0.60 0.52 -0.97 -1.93 0.00 0.00 178.83 177.06 1grg h ASN 116 N 0.32 1.06 -0.76 -0.69 -0.00 -0.95 -1.86 115.58 112.69 1grg h ASN 116 Ca 0.09 -0.07 0.00 0.00 -0.00 0.00 0.00 56.30 56.33 1grg h ASN 116 Cb 0.34 -0.27 -0.04 0.00 -0.00 0.00 0.00 38.32 38.36 1grg h ASN 116 CO 0.01 0.82 0.49 0.78 -0.00 0.00 0.00 177.43 179.52 1grg h ASN 117 N 1.22 0.89 -0.23 1.15 -0.26 -0.28 -0.86 115.58 117.21 1grg h ASN 117 Ca 0.32 -0.03 -0.06 0.00 -0.56 0.00 0.00 56.30 55.96 1grg h ASN 117 Cb -0.04 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 36.99 1grg h ASN 117 CO -0.06 0.67 -0.09 -0.07 -1.06 0.00 0.00 177.43 176.82 1grg h LEU 118 N 1.05 0.48 -0.28 1.61 3.38 -0.79 -2.77 115.31 117.99 1grg h LEU 118 Ca 0.28 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1grg h LEU 118 Cb -0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1grg h LEU 118 CO -0.06 0.76 0.16 0.71 0.09 0.00 0.00 178.44 180.10 1grg h THR 119 N 0.19 1.11 -0.04 0.22 1.35 -0.84 -1.36 112.91 113.55 1grg h THR 119 Ca 0.05 -0.29 0.01 0.00 -0.55 0.00 0.00 66.41 65.64 1grg h THR 119 Cb 0.57 0.80 -0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1grg h THR 119 CO 0.03 0.11 0.05 0.11 -0.25 0.00 0.00 175.52 175.58 1grg h LYS 120 N 0.34 0.00 -0.00 4.72 1.57 -1.14 0.12 116.57 122.19 1grg h LYS 120 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1grg h LYS 120 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1grg h LYS 120 CO -0.02 0.00 -0.55 0.43 -0.57 0.00 0.00 179.45 178.75 1grg n SER 121 N -3.61 0.71 -0.91 0.86 7.64 -0.60 -4.94 113.62 112.77 1grg n SER 121 Ca -0.02 -0.51 -0.08 0.00 1.01 0.00 0.00 58.87 59.27 1grg n SER 121 Cb 0.14 0.37 -0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1grg n SER 121 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1grg n HIS 122 N -1.32 -0.37 -3.38 1.43 8.25 0.42 -4.90 115.22 115.34 1grg n HIS 122 Ca 0.06 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.14 1grg n HIS 122 Cb 0.34 -2.14 -0.06 0.00 1.12 0.00 0.00 29.99 29.25 1grg n HIS 122 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1grg s ILE 123 N -2.40 5.08 0.13 1.59 1.01 -0.69 -4.76 121.20 121.16 1grg s ILE 123 Ca 0.00 0.94 -0.28 0.00 0.00 0.00 0.00 60.65 61.31 1grg s ILE 123 Cb 0.00 -3.79 -0.07 0.00 0.01 0.00 0.00 42.46 38.61 1grg s ILE 123 CO 0.00 0.44 0.87 -0.70 0.00 0.00 0.00 174.94 175.56 1grg s GLU 124 N -0.19 4.66 -0.24 2.79 2.12 -0.92 -4.50 118.70 122.42 1grg s GLU 124 Ca 0.25 1.31 -0.07 0.00 0.36 0.00 0.00 54.97 56.82 1grg s GLU 124 Cb -0.16 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 1grg s GLU 124 CO 0.12 0.36 0.05 0.42 -0.54 0.00 0.00 175.26 175.68 1grg s ILE 125 N -0.47 4.19 -0.27 -3.70 1.01 -1.26 0.04 121.20 120.72 1grg s ILE 125 Ca 0.41 -0.22 -0.07 0.00 0.00 0.00 0.00 60.65 60.77 1grg s ILE 125 Cb -0.23 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.28 1grg s ILE 125 CO 0.28 0.36 0.08 -0.63 0.00 0.00 0.00 174.94 175.03 1grg s ILE 126 N 1.51 4.24 -0.11 2.92 1.01 0.13 -4.92 121.20 125.99 1grg s ILE 126 Ca 0.06 -0.37 -0.20 0.00 0.00 0.00 0.00 60.65 60.14 1grg s ILE 126 Cb -0.15 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 1grg s ILE 126 CO 0.03 0.22 0.57 -0.13 0.00 0.00 0.00 174.94 175.63 1grg s ARG 127 N 1.58 4.36 0.00 2.79 3.00 -1.26 -1.32 118.95 128.10 1grg s ARG 127 Ca 0.05 0.62 0.00 0.00 0.00 0.00 0.00 55.73 56.40 1grg s ARG 127 Cb -0.16 -3.46 0.00 0.00 0.00 0.00 0.00 34.95 31.34 1grg s ARG 127 CO 0.03 0.08 0.00 0.41 0.00 0.00 0.00 175.30 175.83 1grg n GLY 128 N 3.27 0.81 3.52 -3.53 0.00 0.40 -4.90 105.19 104.76 1grg n GLY 128 Ca -0.04 -1.90 -0.38 0.00 0.00 0.00 0.00 46.02 43.70 1grg n GLY 128 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1grg s HIS 129 N -1.40 3.17 0.32 1.61 2.46 -1.26 -2.27 115.29 117.91 1grg s HIS 129 Ca 0.00 -0.15 -0.11 0.00 0.47 0.00 0.00 55.06 55.27 1grg s HIS 129 Cb 0.00 -2.33 -0.07 0.00 -0.13 0.00 0.00 32.58 30.05 1grg s HIS 129 CO 0.00 -0.26 0.68 0.00 -2.47 0.00 0.00 174.74 172.69 1grg s ALA 130 N 1.69 3.43 -0.10 1.58 0.00 -1.26 -4.47 121.76 122.63 1grg s ALA 130 Ca 0.07 -0.19 -0.17 0.00 0.00 0.00 0.00 51.96 51.67 1grg s ALA 130 Cb -0.16 -2.61 0.04 0.00 0.00 0.00 0.00 23.12 20.39 1grg s ALA 130 CO 0.08 0.25 0.42 0.00 0.00 0.00 0.00 175.76 176.51 1grg s ALA 131 N -2.08 -1.05 0.63 0.00 0.00 -1.14 -4.66 121.76 113.47 1grg s ALA 131 Ca 0.50 0.91 -0.15 0.00 0.00 0.00 0.00 51.96 53.22 1grg s ALA 131 Cb -0.11 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 1grg s ALA 131 CO 0.24 -0.24 1.08 -0.06 0.00 0.00 0.00 175.76 176.78 1grg s PHE 132 N -0.49 2.84 0.47 0.00 0.08 0.29 -1.05 117.98 120.12 1grg s PHE 132 Ca -0.06 1.52 0.08 0.00 0.12 0.00 0.00 56.93 58.59 1grg s PHE 132 Cb -0.03 -3.06 0.01 0.00 -0.57 0.00 0.00 43.02 39.37 1grg s PHE 132 CO 0.03 -1.37 0.47 0.95 -0.10 0.00 0.00 175.22 175.20 1grg s THR 133 N -2.47 2.41 0.24 0.64 -4.23 0.20 -4.80 115.64 107.63 1grg s THR 133 Ca 0.64 -1.28 0.29 0.00 -1.18 0.00 0.00 61.69 60.16 1grg s THR 133 Cb -0.18 -2.68 0.30 0.00 1.34 0.00 0.00 72.50 71.28 1grg s THR 133 CO 0.41 0.00 1.97 0.77 -0.54 0.00 0.00 174.62 177.23 1grg h SER 134 N 0.78 0.00 -3.03 3.99 4.64 -1.87 -3.44 113.55 114.63 1grg h SER 134 Ca -0.38 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.35 1grg h SER 134 Cb 1.28 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 63.52 1grg h SER 134 CO 0.53 0.13 -0.04 0.47 -0.87 0.00 0.00 176.83 177.05 1grg n ASP 135 N -3.38 0.38 0.00 4.97 8.00 -1.26 -4.95 116.55 120.31 1grg n ASP 135 Ca -0.01 0.91 0.00 0.00 0.71 0.00 0.00 54.79 56.41 1grg n ASP 135 Cb 0.32 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.13 1grg n ASP 135 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1grg n PRO 136 N -0.06 0.00 -2.03 -0.24 -0.02 -1.26 -4.38 135.00 127.01 1grg n PRO 136 Ca 0.11 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 1grg n PRO 136 Cb 0.42 -1.39 -0.03 0.00 -0.02 0.00 0.00 33.50 32.49 1grg n PRO 136 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1grg s LYS 137 N -2.55 4.26 -0.17 -0.52 -2.85 -1.26 -4.83 119.74 111.83 1grg s LYS 137 Ca 0.00 2.24 -0.38 0.00 -1.00 0.00 0.00 55.97 56.84 1grg s LYS 137 Cb 0.00 -3.19 -0.14 0.00 -2.06 0.00 0.00 37.83 32.44 1grg s LYS 137 CO 0.00 -0.53 1.74 -2.30 0.10 0.00 0.00 175.35 174.36 1grg n PRO 138 N 3.85 1.50 -3.86 1.78 -0.02 -1.26 -4.93 135.00 132.07 1grg n PRO 138 Ca 0.12 0.55 -0.12 0.00 -2.02 0.00 0.00 63.50 62.04 1grg n PRO 138 Cb 0.40 -2.28 -0.13 0.00 -0.02 0.00 0.00 33.50 31.47 1grg n PRO 138 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1grg s THR 139 N 3.27 0.02 0.26 3.45 2.01 -1.26 -4.31 115.64 119.08 1grg s THR 139 Ca 0.94 -0.18 0.10 0.00 0.31 0.00 0.00 61.69 62.86 1grg s THR 139 Cb -0.93 -0.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.35 1grg s THR 139 CO 0.58 -0.10 -0.04 0.27 -0.69 0.00 0.00 174.62 174.64 1grg s ILE 140 N -0.29 3.28 -0.08 1.82 -4.36 -0.75 0.62 121.20 121.44 1grg s ILE 140 Ca -0.04 -1.95 0.03 0.00 -0.26 0.00 0.00 60.65 58.44 1grg s ILE 140 Cb -0.02 -2.73 0.01 0.00 1.25 0.00 0.00 42.46 40.96 1grg s ILE 140 CO 0.00 -0.34 -0.18 -0.70 0.24 0.00 0.00 174.94 173.96 1grg s GLU 141 N -3.53 2.32 -0.17 0.37 2.12 -0.21 -1.09 118.70 118.50 1grg s GLU 141 Ca 0.30 -0.63 -0.03 0.00 0.36 0.00 0.00 54.97 54.98 1grg s GLU 141 Cb -0.07 -1.82 0.05 0.00 0.26 0.00 0.00 34.13 32.56 1grg s GLU 141 CO 0.19 0.09 0.03 0.08 -0.54 0.00 0.00 175.26 175.11 1grg s VAL 142 N 0.53 0.47 -1.19 3.70 1.01 -0.14 -2.89 120.40 121.89 1grg s VAL 142 Ca -0.16 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 1grg s VAL 142 Cb -0.17 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.30 1grg s VAL 142 CO 0.06 -0.12 1.02 -1.20 0.00 0.00 0.00 175.10 174.86 1grg n SER 143 N 5.08 -4.13 0.00 3.32 7.64 -1.26 -2.46 113.62 121.81 1grg n SER 143 Ca -0.09 -0.54 0.00 0.00 1.01 0.00 0.00 58.87 59.26 1grg n SER 143 Cb 0.48 -4.75 0.00 0.00 -1.01 0.00 0.00 64.21 58.93 1grg n SER 143 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1grg n GLY 144 N -1.53 2.92 3.87 0.23 0.00 -1.26 -5.00 105.19 104.42 1grg n GLY 144 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1grg n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1grg s LYS 145 N -0.11 3.83 0.07 1.61 1.02 -1.03 -5.07 119.74 120.06 1grg s LYS 145 Ca 0.00 0.29 0.01 0.00 0.02 0.00 0.00 55.97 56.30 1grg s LYS 145 Cb 0.00 -2.74 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 1grg s LYS 145 CO 0.00 0.37 0.17 0.15 -0.92 0.00 0.00 175.35 175.12 1grg s LYS 146 N -2.57 3.24 -0.08 1.68 1.02 -1.26 -0.96 119.74 120.80 1grg s LYS 146 Ca 0.44 -0.54 -0.09 0.00 0.02 0.00 0.00 55.97 55.80 1grg s LYS 146 Cb -0.12 -2.92 0.02 0.00 -0.52 0.00 0.00 37.83 34.29 1grg s LYS 146 CO 0.21 0.59 0.25 0.71 -0.92 0.00 0.00 175.35 176.19 1grg s TYR 147 N -1.48 -0.24 0.08 3.18 1.51 -0.25 -2.64 117.35 117.52 1grg s TYR 147 Ca 0.33 0.56 -0.08 0.00 -1.01 0.00 0.00 57.07 56.86 1grg s TYR 147 Cb -0.13 0.08 -0.00 0.00 -0.11 0.00 0.00 41.96 41.80 1grg s TYR 147 CO 0.26 -0.18 0.18 -0.08 -1.11 0.00 0.00 175.55 174.62 1grg s THR 148 N -0.18 0.14 0.03 -0.71 -1.32 -0.36 -1.80 115.64 111.45 1grg s THR 148 Ca -0.03 -1.17 -0.27 0.00 -1.21 0.00 0.00 61.69 59.01 1grg s THR 148 Cb -0.03 -1.30 0.08 0.00 -1.51 0.00 0.00 72.50 69.75 1grg s THR 148 CO 0.01 -0.65 0.72 0.00 -2.21 0.00 0.00 174.62 172.49 1grg s ALA 149 N -3.71 -1.73 -0.58 11.08 0.00 -1.26 -1.53 121.76 124.04 1grg s ALA 149 Ca 0.04 0.95 0.25 0.00 0.00 0.00 0.00 51.96 53.19 1grg s ALA 149 Cb 0.04 0.37 0.92 0.00 0.00 0.00 0.00 23.12 24.45 1grg s ALA 149 CO -0.10 -0.59 1.74 -0.35 0.00 0.00 0.00 175.76 176.46 1grg n PRO 150 N 0.15 0.22 -3.81 0.00 -0.04 -1.26 -4.54 135.00 125.72 1grg n PRO 150 Ca -0.15 0.34 -0.25 0.00 -0.04 0.00 0.00 63.50 63.40 1grg n PRO 150 Cb 0.61 -1.84 -0.17 0.00 -0.04 0.00 0.00 33.50 32.06 1grg n PRO 150 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1grg s HIS 151 N -3.23 1.02 -0.13 0.54 3.76 -1.24 -4.51 115.29 111.50 1grg s HIS 151 Ca 0.07 -0.51 0.02 0.00 -0.15 0.00 0.00 55.06 54.49 1grg s HIS 151 Cb 0.10 -0.99 0.01 0.00 1.11 0.00 0.00 32.58 32.82 1grg s HIS 151 CO 0.47 -0.45 -0.19 0.42 -0.85 0.00 0.00 174.74 174.13 1grg s ILE 152 N 1.86 1.86 -0.21 0.60 1.01 0.15 -2.27 121.20 124.20 1grg s ILE 152 Ca 0.04 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 1grg s ILE 152 Cb -0.13 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1grg s ILE 152 CO -0.07 0.51 0.08 -0.22 0.00 0.00 0.00 174.94 175.25 1grg s LEU 153 N 0.90 3.78 -0.28 2.97 2.96 0.23 -1.11 118.68 128.13 1grg s LEU 153 Ca -0.06 0.02 -0.13 0.00 -0.22 0.00 0.00 54.13 53.74 1grg s LEU 153 Cb -0.15 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1grg s LEU 153 CO -0.02 0.11 0.29 -0.63 -1.32 0.00 0.00 176.35 174.77 1grg s ILE 154 N 0.76 5.24 -0.38 6.68 1.01 0.29 -0.48 121.20 134.32 1grg s ILE 154 Ca 0.04 0.33 0.13 0.00 0.00 0.00 0.00 60.65 61.16 1grg s ILE 154 Cb -0.13 -3.63 0.39 0.00 0.01 0.00 0.00 42.46 39.09 1grg s ILE 154 CO 0.02 0.18 0.84 0.00 0.00 0.00 0.00 174.94 175.98 1grg n ALA 155 N 5.21 2.86 1.68 9.38 0.00 0.19 -2.80 120.51 137.02 1grg n ALA 155 Ca -0.11 -3.48 0.12 0.00 0.00 0.00 0.00 53.44 49.98 1grg n ALA 155 Cb 0.51 -0.90 0.59 0.00 0.00 0.00 0.00 19.45 19.65 1grg n ALA 155 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1grg n THR 156 N 0.08 0.06 -4.74 0.00 -2.24 -1.20 -4.30 114.28 101.94 1grg n THR 156 Ca 0.21 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1grg n THR 156 Cb 0.69 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1grg n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1grg n GLY 157 N 1.02 0.38 0.00 3.38 0.00 -1.26 -4.60 105.19 104.10 1grg n GLY 157 Ca 0.18 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1grg n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1grg n GLY 158 N 0.00 4.81 3.49 -0.02 0.00 -1.26 -1.18 105.19 111.02 1grg n GLY 158 Ca 0.00 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 1grg n GLY 158 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1grg s MET 159 N -0.33 1.35 0.38 1.61 -1.94 -0.24 -4.77 119.30 115.37 1grg s MET 159 Ca 0.00 -0.63 -0.25 0.00 -1.71 0.00 0.00 55.69 53.10 1grg s MET 159 Cb 0.00 0.57 -0.09 0.00 2.01 0.00 0.00 34.83 37.32 1grg s MET 159 CO 0.00 -0.59 1.12 -2.14 -0.01 0.00 0.00 175.02 173.40 1grg s PRO 160 N -3.80 4.17 0.08 2.03 0.02 -1.26 0.70 135.00 136.94 1grg s PRO 160 Ca 0.04 1.72 -0.16 0.00 0.02 0.00 0.00 61.00 62.62 1grg s PRO 160 Cb -0.01 -2.70 -0.06 0.00 0.02 0.00 0.00 34.50 31.74 1grg s PRO 160 CO -0.08 -0.19 0.51 0.45 -0.33 0.00 0.00 177.00 177.36 1grg s SER 161 N -1.25 6.89 0.09 2.53 0.15 -0.16 -4.66 113.70 117.30 1grg s SER 161 Ca 0.56 1.09 0.05 0.00 0.70 0.00 0.00 55.95 58.34 1grg s SER 161 Cb -0.28 -2.29 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 1grg s SER 161 CO 0.35 0.22 -0.12 0.42 1.20 0.00 0.00 173.24 175.31 1grg s THR 162 N -1.25 1.09 0.52 6.45 -4.23 -1.26 -4.59 115.64 112.36 1grg s THR 162 Ca 0.31 -1.51 -0.19 0.00 -1.18 0.00 0.00 61.69 59.12 1grg s THR 162 Cb -0.17 -1.26 -0.07 0.00 1.34 0.00 0.00 72.50 72.34 1grg s THR 162 CO 0.18 -0.39 1.05 -2.84 -0.54 0.00 0.00 174.62 172.08 1grg s PRO 163 N -2.31 3.65 0.21 3.99 0.02 -1.26 -5.01 135.00 134.28 1grg s PRO 163 Ca 0.03 1.35 -0.30 0.00 0.02 0.00 0.00 61.00 62.10 1grg s PRO 163 Cb -0.06 -2.07 -0.08 0.00 0.02 0.00 0.00 34.50 32.30 1grg s PRO 163 CO 0.02 -0.56 1.03 -1.01 -0.33 0.00 0.00 177.00 176.15 1grg s HIS 164 N -2.07 3.73 0.49 6.54 3.76 -1.26 -4.69 115.29 121.79 1grg s HIS 164 Ca 0.67 1.74 0.19 0.00 -0.15 0.00 0.00 55.06 57.51 1grg s HIS 164 Cb -0.17 -3.16 1.23 0.00 1.11 0.00 0.00 32.58 31.59 1grg s HIS 164 CO 0.25 -0.17 2.02 1.49 -0.85 0.00 0.00 174.74 177.48 1grg h GLU 165 N 4.62 0.15 -0.95 1.40 4.57 -1.96 0.88 114.58 123.29 1grg h GLU 165 Ca -0.45 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 57.74 1grg h GLU 165 Cb 1.21 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.72 1grg h GLU 165 CO 0.70 0.10 0.63 0.66 -1.18 0.00 0.00 179.01 179.92 1grg h SER 166 N 0.16 1.08 0.34 1.04 4.64 -2.00 -3.05 113.55 115.77 1grg h SER 166 Ca 0.21 -0.03 -0.32 0.00 -0.47 0.00 0.00 61.79 61.18 1grg h SER 166 Cb 0.62 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 1grg h SER 166 CO -0.03 0.78 -1.79 0.06 -0.87 0.00 0.00 176.83 174.98 1grg h GLN 167 N 1.28 0.15 -3.08 4.77 3.07 -1.56 -3.44 115.11 116.30 1grg h GLN 167 Ca 0.35 -0.26 -0.55 0.00 0.09 0.00 0.00 58.65 58.28 1grg h GLN 167 Cb -0.13 0.10 -0.40 0.00 0.08 0.00 0.00 27.48 27.13 1grg h GLN 167 CO -0.08 0.90 -0.77 0.42 0.09 0.00 0.00 178.83 179.38 1grg s ILE 168 N -2.59 0.30 0.23 1.86 1.01 0.16 -4.98 121.20 117.20 1grg s ILE 168 Ca -0.12 -1.02 -0.30 0.00 0.00 0.00 0.00 60.65 59.20 1grg s ILE 168 Cb 0.07 -1.25 -0.10 0.00 0.01 0.00 0.00 42.46 41.19 1grg s ILE 168 CO 0.81 -0.71 1.44 -2.84 0.00 0.00 0.00 174.94 173.64 1grg s PRO 169 N 1.90 4.27 0.00 2.79 0.02 -1.16 -1.83 135.00 140.99 1grg s PRO 169 Ca 0.09 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.40 1grg s PRO 169 Cb -0.17 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.23 1grg s PRO 169 CO -0.32 -0.43 0.00 0.41 -0.33 0.00 0.00 177.00 176.33 1grg n GLY 170 N 2.39 0.65 0.29 0.52 0.00 -1.25 -0.55 105.19 107.23 1grg n GLY 170 Ca 0.07 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.15 1grg n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grg h ALA 171 N 0.00 1.81 0.00 4.61 0.00 -1.64 -2.15 119.26 121.89 1grg h ALA 171 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1grg h ALA 171 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1grg h ALA 171 CO 0.00 0.17 0.00 -1.13 0.00 0.00 0.00 179.25 178.29 1grg n SER 172 N -4.50 0.00 0.06 0.00 3.41 -1.26 -1.09 113.62 110.24 1grg n SER 172 Ca 0.01 0.07 0.13 0.00 -0.26 0.00 0.00 58.87 58.82 1grg n SER 172 Cb 0.07 -0.25 0.50 0.00 -0.26 0.00 0.00 64.21 64.27 1grg n SER 172 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1grg n LEU 173 N -1.25 0.45 -4.95 1.04 4.77 -0.81 -4.85 117.00 111.40 1grg n LEU 173 Ca 0.06 0.54 -0.23 0.00 -0.03 0.00 0.00 56.01 56.35 1grg n LEU 173 Cb 0.09 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 40.78 1grg n LEU 173 CO 0.09 -0.11 0.28 -0.83 -1.33 0.00 0.00 177.39 175.49 1grg s GLY 174 N -3.32 1.53 0.47 -0.72 0.00 -0.25 -4.73 107.32 100.31 1grg s GLY 174 Ca 0.12 -1.01 0.06 0.00 0.00 0.00 0.00 44.72 43.89 1grg s GLY 174 CO 0.56 -0.85 0.26 -0.26 0.00 0.00 0.00 173.10 172.81 1grg s ILE 175 N -2.54 1.95 0.35 0.90 -4.36 0.16 -4.93 121.20 112.74 1grg s ILE 175 Ca 0.47 -1.63 0.01 0.00 -0.26 0.00 0.00 60.65 59.24 1grg s ILE 175 Cb -0.10 -2.58 0.01 0.00 1.25 0.00 0.00 42.46 41.04 1grg s ILE 175 CO 0.38 0.00 0.09 0.35 0.24 0.00 0.00 174.94 176.00 1grg n THR 176 N -1.46 0.00 0.18 8.37 -2.24 -1.26 -0.46 114.28 117.41 1grg n THR 176 Ca -0.03 -1.57 0.12 0.00 -2.27 0.00 0.00 64.05 60.29 1grg n THR 176 Cb 0.64 0.15 0.66 0.00 -2.10 0.00 0.00 70.33 69.69 1grg n THR 176 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1grg h SER 177 N 0.70 0.00 -0.35 3.42 4.64 -1.97 -0.92 113.55 119.06 1grg h SER 177 Ca -0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 1grg h SER 177 Cb 0.86 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.94 1grg h SER 177 CO 0.44 0.00 0.19 0.44 -0.87 0.00 0.00 176.83 177.03 1grg h ASP 178 N 0.00 0.44 0.25 4.97 3.32 -1.95 -2.19 116.42 121.26 1grg h ASP 178 Ca 0.08 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 1grg h ASP 178 Cb 0.30 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1grg h ASP 178 CO -0.00 0.40 -0.28 1.23 -1.72 0.00 0.00 179.24 178.87 1grg h GLY 179 N 0.44 0.06 1.09 2.75 0.00 -1.58 -2.05 103.07 103.77 1grg h GLY 179 Ca 0.12 -0.04 0.08 0.00 0.00 0.00 0.00 47.33 47.49 1grg h GLY 179 CO -0.02 0.04 0.42 -2.75 0.00 0.00 0.00 176.54 174.23 1grg h PHE 180 N 0.05 0.58 -0.01 5.60 3.57 -0.64 -0.96 116.94 125.13 1grg h PHE 180 Ca 0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1grg h PHE 180 Cb 0.52 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1grg h PHE 180 CO 0.00 0.30 -0.01 1.19 -2.23 0.00 0.00 178.31 177.55 1grg n PHE 181 N -4.48 0.00 0.45 0.41 3.72 -0.77 -2.73 117.46 114.06 1grg n PHE 181 Ca 0.10 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.58 1grg n PHE 181 Cb 0.29 -0.03 -0.12 0.00 -0.94 0.00 0.00 39.48 38.68 1grg n PHE 181 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1grg n GLN 182 N -0.54 0.87 -1.79 -1.08 6.02 -0.39 -5.00 117.38 115.47 1grg n GLN 182 Ca 0.21 -0.08 -0.40 0.00 -0.01 0.00 0.00 57.00 56.72 1grg n GLN 182 Cb 0.23 -1.38 0.02 0.00 1.02 0.00 0.00 30.24 30.12 1grg n GLN 182 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1grg s LEU 183 N -3.50 4.10 -0.00 1.08 1.43 -1.04 -4.91 118.68 115.84 1grg s LEU 183 Ca 0.01 2.93 0.08 0.00 -1.03 0.00 0.00 54.13 56.12 1grg s LEU 183 Cb 0.13 -3.94 -0.09 0.00 0.03 0.00 0.00 46.19 42.31 1grg s LEU 183 CO 0.74 -1.20 0.31 -0.62 0.23 0.00 0.00 176.35 175.82 1grg n GLU 184 N -0.22 3.84 -4.17 1.70 1.02 -1.26 -5.00 120.64 116.55 1grg n GLU 184 Ca 0.05 -0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 57.04 1grg n GLU 184 Cb 0.42 -0.92 -0.11 0.00 -0.02 0.00 0.00 31.44 30.81 1grg n GLU 184 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1grg s GLU 185 N -1.85 0.82 -0.19 3.49 0.41 -1.26 -4.08 118.70 116.04 1grg s GLU 185 Ca 0.02 -1.12 -0.29 0.00 -0.41 0.00 0.00 54.97 53.17 1grg s GLU 185 Cb 0.06 -0.52 -0.01 0.00 -1.78 0.00 0.00 34.13 31.88 1grg s GLU 185 CO 0.33 0.08 1.23 -1.17 -0.49 0.00 0.00 175.26 175.24 1grg s LEU 186 N -2.34 4.14 0.34 1.80 2.96 -1.26 -4.98 118.68 119.35 1grg s LEU 186 Ca 0.04 1.61 -0.29 0.00 -0.22 0.00 0.00 54.13 55.27 1grg s LEU 186 Cb -0.04 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.01 1grg s LEU 186 CO 0.00 -0.77 1.36 -2.84 -1.32 0.00 0.00 176.35 172.78 1grg s PRO 187 N 3.51 4.28 0.11 0.98 0.02 -1.26 -4.94 135.00 137.71 1grg s PRO 187 Ca 0.53 2.32 -0.13 0.00 0.02 0.00 0.00 61.00 63.75 1grg s PRO 187 Cb -0.20 -3.04 -0.09 0.00 0.02 0.00 0.00 34.50 31.18 1grg s PRO 187 CO 0.14 -0.30 1.40 0.78 -0.33 0.00 0.00 177.00 178.69 1grg h GLY 188 N 3.30 0.89 -6.28 0.52 0.00 -1.94 -3.40 103.07 96.16 1grg h GLY 188 Ca -0.49 -1.02 -0.46 0.00 0.00 0.00 0.00 47.33 45.36 1grg h GLY 188 CO 0.65 0.91 -0.79 -1.60 0.00 0.00 0.00 176.54 175.72 1grg s ARG 189 N -4.16 1.16 0.02 4.80 6.06 -1.26 -1.01 118.95 124.55 1grg s ARG 189 Ca -0.11 -0.19 0.02 0.00 -2.50 0.00 0.00 55.73 52.95 1grg s ARG 189 Cb 0.09 -1.13 -0.01 0.00 0.06 0.00 0.00 34.95 33.96 1grg s ARG 189 CO 0.87 -0.11 -0.08 -1.54 -2.50 0.00 0.00 175.30 171.95 1grg s SER 190 N 1.09 0.88 -0.10 -2.12 1.04 -0.11 -1.21 113.70 113.18 1grg s SER 190 Ca -0.08 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.06 1grg s SER 190 Cb -0.14 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 65.95 1grg s SER 190 CO -0.01 -0.03 -0.11 -0.69 0.98 0.00 0.00 173.24 173.38 1grg s VAL 191 N -0.66 1.21 -0.13 5.02 1.01 0.16 -1.43 120.40 125.58 1grg s VAL 191 Ca -0.02 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 1grg s VAL 191 Cb -0.06 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 1grg s VAL 191 CO 0.00 0.39 -0.06 -0.63 0.00 0.00 0.00 175.10 174.80 1grg s ILE 192 N 1.17 3.72 -0.23 2.22 1.01 0.33 -0.72 121.20 128.70 1grg s ILE 192 Ca -0.04 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.13 1grg s ILE 192 Cb -0.14 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 1grg s ILE 192 CO -0.03 0.52 -0.02 -0.69 0.00 0.00 0.00 174.94 174.72 1grg s VAL 193 N 0.13 3.47 0.00 2.92 1.01 -0.05 -0.07 120.40 127.80 1grg s VAL 193 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1grg s VAL 193 Cb -0.14 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1grg s VAL 193 CO 0.03 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1grg n GLY 194 N 4.81 3.92 0.07 4.51 0.00 -0.82 -0.11 105.19 117.57 1grg n GLY 194 Ca -0.18 -1.49 0.01 0.00 0.00 0.00 0.00 46.02 44.36 1grg n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grg n ALA 195 N -1.88 1.65 -2.40 4.61 0.00 -1.26 -4.61 120.51 116.62 1grg n ALA 195 Ca 0.00 -1.00 -0.20 0.00 0.00 0.00 0.00 53.44 52.24 1grg n ALA 195 Cb 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 19.45 19.47 1grg n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1grg n GLY 196 N -0.36 0.21 0.36 0.00 0.00 -1.26 -0.44 105.19 103.69 1grg n GLY 196 Ca 0.02 -1.95 0.04 0.00 0.00 0.00 0.00 46.02 44.13 1grg n GLY 196 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1grg h TYR 197 N -0.81 0.94 -0.51 1.61 -0.00 -1.97 -1.53 116.97 114.69 1grg h TYR 197 Ca -0.31 0.02 -0.06 0.00 -0.00 0.00 0.00 58.73 58.39 1grg h TYR 197 Cb 1.06 -0.31 -0.02 0.00 -0.00 0.00 0.00 36.73 37.46 1grg h TYR 197 CO 0.00 0.50 0.09 0.82 -0.00 0.00 0.00 178.16 179.57 1grg h ILE 198 N 0.93 1.25 -0.32 -0.90 2.04 -1.94 0.11 117.51 118.68 1grg h ILE 198 Ca 0.35 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1grg h ILE 198 Cb 0.18 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1grg h ILE 198 CO -0.12 0.33 0.21 0.00 0.00 0.00 0.00 178.15 178.57 1grg h ALA 199 N 0.98 0.40 -0.37 1.87 0.00 -1.68 0.10 119.26 120.56 1grg h ALA 199 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1grg h ALA 199 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1grg h ALA 199 CO 0.01 -0.12 0.19 0.28 0.00 0.00 0.00 179.25 179.60 1grg h VAL 200 N 0.42 1.16 -0.28 0.00 2.07 -0.88 -1.05 116.25 117.70 1grg h VAL 200 Ca 0.12 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1grg h VAL 200 Cb -0.04 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1grg h VAL 200 CO -0.02 0.17 0.09 -0.33 0.02 0.00 0.00 177.57 177.50 1grg h GLU 201 N 0.46 0.43 -0.46 1.57 5.08 -0.33 -2.12 114.58 119.22 1grg h GLU 201 Ca 0.13 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1grg h GLU 201 Cb 0.10 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1grg h GLU 201 CO -0.02 0.48 0.07 0.52 -1.00 0.00 0.00 179.01 179.07 1grg h MET 202 N 0.29 0.75 -0.76 2.33 2.86 -0.69 -2.27 114.93 117.44 1grg h MET 202 Ca 0.09 -0.20 0.06 0.00 -2.06 0.00 0.00 59.70 57.59 1grg h MET 202 Cb 0.23 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.74 1grg h MET 202 CO -0.00 0.77 0.44 0.00 1.06 0.00 0.00 176.91 179.18 1grg h ALA 203 N 0.95 1.03 -0.48 6.32 0.00 -1.10 -1.97 119.26 124.01 1grg h ALA 203 Ca 0.14 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1grg h ALA 203 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1grg h ALA 203 CO 0.01 0.14 -0.13 0.78 0.00 0.00 0.00 179.25 180.05 1grg h GLY 204 N 0.81 0.97 0.58 0.00 0.00 -1.15 -1.31 103.07 102.97 1grg h GLY 204 Ca 0.34 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1grg h GLY 204 CO -0.19 0.71 -0.07 -2.22 0.00 0.00 0.00 176.54 174.77 1grg h ILE 205 N 0.80 0.99 -0.42 2.60 2.04 -1.23 -2.45 117.51 119.84 1grg h ILE 205 Ca 0.13 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.16 1grg h ILE 205 Cb 0.66 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 1grg h ILE 205 CO 0.05 0.19 0.25 -0.07 0.00 0.00 0.00 178.15 178.56 1grg h LEU 206 N -0.63 0.40 -0.22 1.44 3.38 -1.34 -1.96 115.31 116.39 1grg h LEU 206 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1grg h LEU 206 Cb 0.47 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1grg h LEU 206 CO 0.03 0.29 0.12 -1.28 0.09 0.00 0.00 178.44 177.69 1grg h SER 207 N 0.50 0.28 -0.10 -0.43 0.87 -1.34 0.02 113.55 113.35 1grg h SER 207 Ca 0.17 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.58 1grg h SER 207 Cb 0.01 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1grg h SER 207 CO -0.08 0.29 -0.07 0.00 -0.53 0.00 0.00 176.83 176.45 1grg h ALA 208 N 1.00 1.44 -0.00 6.23 0.00 -1.14 -2.12 119.26 124.67 1grg h ALA 208 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1grg h ALA 208 Cb 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1grg h ALA 208 CO -0.01 0.39 -0.03 1.28 0.00 0.00 0.00 179.25 180.88 1grg n LEU 209 N -4.28 0.18 0.00 0.00 4.77 -0.76 -4.80 117.00 112.11 1grg n LEU 209 Ca 0.00 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1grg n LEU 209 Cb 0.26 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1grg n LEU 209 CO 0.38 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1grg n GLY 210 N 1.20 0.84 3.77 -0.72 0.00 -0.80 -4.82 105.19 104.67 1grg n GLY 210 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1grg n GLY 210 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1grg s SER 211 N -1.69 7.08 -0.60 1.61 0.15 -0.04 -4.95 113.70 115.25 1grg s SER 211 Ca 0.00 2.03 -0.27 0.00 0.70 0.00 0.00 55.95 58.41 1grg s SER 211 Cb 0.00 -2.59 0.03 0.00 -1.71 0.00 0.00 66.02 61.75 1grg s SER 211 CO 0.00 -0.26 1.17 -0.75 1.20 0.00 0.00 173.24 174.60 1grg s LYS 212 N -2.06 3.44 -0.09 5.44 2.20 -0.18 -4.28 119.74 124.22 1grg s LYS 212 Ca 0.52 0.10 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 1grg s LYS 212 Cb -0.24 -4.05 -0.03 0.00 -1.51 0.00 0.00 37.83 32.01 1grg s LYS 212 CO 0.30 -1.73 -0.07 0.99 -0.36 0.00 0.00 175.35 174.48 1grg s THR 213 N 4.93 3.65 0.03 3.43 2.01 -1.26 -0.93 115.64 127.50 1grg s THR 213 Ca 0.40 -0.49 0.09 0.00 0.31 0.00 0.00 61.69 62.00 1grg s THR 213 Cb -0.08 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 1grg s THR 213 CO 0.23 0.58 -0.25 -0.44 -0.69 0.00 0.00 174.62 174.05 1grg s SER 214 N -0.54 3.27 -0.19 3.53 0.01 -0.51 -1.80 113.70 117.47 1grg s SER 214 Ca 0.08 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 56.81 1grg s SER 214 Cb -0.12 -0.36 0.03 0.00 0.21 0.00 0.00 66.02 65.78 1grg s SER 214 CO 0.02 0.27 -0.18 -0.22 0.41 0.00 0.00 173.24 173.54 1grg s LEU 215 N -1.17 2.34 -0.33 2.44 2.96 0.42 -0.52 118.68 124.82 1grg s LEU 215 Ca 0.12 -0.78 -0.10 0.00 -0.22 0.00 0.00 54.13 53.15 1grg s LEU 215 Cb -0.10 -1.46 0.01 0.00 0.50 0.00 0.00 46.19 45.13 1grg s LEU 215 CO 0.02 -0.04 0.17 -0.32 -1.32 0.00 0.00 176.35 174.86 1grg s MET 216 N 1.27 3.15 0.11 1.98 -2.45 0.90 -0.10 119.30 124.17 1grg s MET 216 Ca 0.02 -0.85 0.11 0.00 -1.25 0.00 0.00 55.69 53.72 1grg s MET 216 Cb -0.14 -3.62 -0.04 0.00 1.25 0.00 0.00 34.83 32.28 1grg s MET 216 CO -0.11 -0.52 -0.27 0.96 1.05 0.00 0.00 175.02 176.13 1grg s ILE 217 N 1.59 2.23 -0.16 10.11 -4.36 -0.85 -1.94 121.20 127.82 1grg s ILE 217 Ca 0.04 -1.68 0.27 0.00 -0.26 0.00 0.00 60.65 59.01 1grg s ILE 217 Cb -0.18 -1.96 0.33 0.00 1.25 0.00 0.00 42.46 41.90 1grg s ILE 217 CO 0.06 0.14 1.76 0.03 0.24 0.00 0.00 174.94 177.18 1grg h ARG 218 N 4.07 0.00 0.00 0.37 3.08 -1.86 -1.74 114.38 118.30 1grg h ARG 218 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1grg h ARG 218 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1grg h ARG 218 CO 0.40 0.06 0.00 0.72 -1.07 0.00 0.00 179.97 180.08 1grg n HIS 219 N -3.14 0.00 0.56 3.04 8.25 -1.26 -3.77 115.22 118.91 1grg n HIS 219 Ca 0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.56 1grg n HIS 219 Cb 0.45 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.46 1grg n HIS 219 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1grg n ASP 220 N 0.00 0.87 -4.14 0.41 5.75 -1.26 -0.72 116.55 117.45 1grg n ASP 220 Ca 0.00 -0.66 -0.11 0.00 -0.01 0.00 0.00 54.79 54.01 1grg n ASP 220 Cb 0.00 1.17 -0.10 0.00 -1.03 0.00 0.00 41.12 41.16 1grg n ASP 220 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1grg s LYS 221 N -2.62 0.76 0.43 0.11 1.02 -1.26 -4.97 119.74 113.21 1grg s LYS 221 Ca 0.03 -1.23 0.02 0.00 0.02 0.00 0.00 55.97 54.81 1grg s LYS 221 Cb 0.11 -0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.25 1grg s LYS 221 CO 0.65 -0.02 0.63 0.14 -0.92 0.00 0.00 175.35 175.83 1grg s VAL 222 N -3.32 3.80 -1.34 3.17 -7.23 -1.26 -4.57 120.40 109.65 1grg s VAL 222 Ca 0.08 -0.66 -0.00 0.00 -1.81 0.00 0.00 61.98 59.58 1grg s VAL 222 Cb 0.03 -3.38 0.00 0.00 0.56 0.00 0.00 36.38 33.60 1grg s VAL 222 CO -0.05 -0.23 0.63 0.18 -0.31 0.00 0.00 175.10 175.32 1grg n LEU 223 N -1.99 -2.85 0.18 1.32 4.77 0.41 -4.51 117.00 114.32 1grg n LEU 223 Ca 0.02 -0.87 0.13 0.00 -0.03 0.00 0.00 56.01 55.26 1grg n LEU 223 Cb 0.58 -2.54 0.60 0.00 -2.33 0.00 0.00 43.42 39.73 1grg n LEU 223 CO 0.45 0.42 0.89 0.03 -1.33 0.00 0.00 177.39 177.85 1grg h ARG 224 N -1.86 0.00 -0.00 3.23 3.08 -1.81 -2.22 114.38 114.80 1grg h ARG 224 Ca -0.62 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.43 1grg h ARG 224 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 1grg h ARG 224 CO 0.58 0.00 -0.29 -1.13 -1.07 0.00 0.00 179.97 178.06 1grg n SER 225 N -2.43 0.47 -4.84 7.04 3.41 -1.26 -4.87 113.62 111.14 1grg n SER 225 Ca 0.01 -0.25 -0.27 0.00 -0.26 0.00 0.00 58.87 58.09 1grg n SER 225 Cb 0.17 0.02 0.09 0.00 -0.26 0.00 0.00 64.21 64.23 1grg n SER 225 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1grg s PHE 226 N -2.83 2.75 0.45 7.33 0.40 -0.83 -4.99 117.98 120.25 1grg s PHE 226 Ca 0.17 0.48 -0.25 0.00 -0.60 0.00 0.00 56.93 56.72 1grg s PHE 226 Cb 0.19 -3.35 -0.09 0.00 0.51 0.00 0.00 43.02 40.28 1grg s PHE 226 CO 0.60 -1.63 1.39 -3.47 0.70 0.00 0.00 175.22 172.80 1grg n ASP 227 N -3.10 3.10 0.30 1.36 -0.08 -1.26 -4.67 116.55 112.20 1grg n ASP 227 Ca 0.09 1.11 0.17 0.00 -1.51 0.00 0.00 54.79 54.65 1grg n ASP 227 Cb 0.61 -1.58 0.97 0.00 2.34 0.00 0.00 41.12 43.46 1grg n ASP 227 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1grg h SER 228 N 2.21 0.00 -0.22 1.67 4.64 -1.92 -0.93 113.55 119.00 1grg h SER 228 Ca -0.50 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.73 1grg h SER 228 Cb 1.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 1grg h SER 228 CO 0.61 0.01 -0.16 -0.03 -0.87 0.00 0.00 176.83 176.39 1grg h MET 229 N 0.00 0.64 -0.09 4.77 -1.53 -2.00 -2.48 114.93 114.23 1grg h MET 229 Ca -0.00 -0.21 -0.13 0.00 -3.44 0.00 0.00 59.70 55.91 1grg h MET 229 Cb 0.03 -0.05 0.01 0.00 -0.55 0.00 0.00 31.60 31.04 1grg h MET 229 CO 0.00 0.77 -0.46 0.82 0.14 0.00 0.00 176.91 178.18 1grg h ILE 230 N 0.58 1.38 -0.53 1.77 1.08 -1.53 -1.58 117.51 118.67 1grg h ILE 230 Ca 0.10 -1.81 -0.05 0.00 -0.39 0.00 0.00 64.86 62.71 1grg h ILE 230 Cb 0.60 2.24 -0.02 0.00 -3.07 0.00 0.00 36.82 36.56 1grg h ILE 230 CO 0.04 0.54 0.12 0.77 -0.69 0.00 0.00 178.15 178.93 1grg h SER 231 N 0.05 0.76 0.06 1.72 4.64 -1.35 0.10 113.55 119.52 1grg h SER 231 Ca -0.03 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1grg h SER 231 Cb 1.11 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1grg h SER 231 CO 0.10 0.75 -0.03 0.74 -0.87 0.00 0.00 176.83 177.51 1grg h THR 232 N 0.78 1.18 -0.82 2.95 2.02 -1.50 -2.38 112.91 115.14 1grg h THR 232 Ca 0.17 -0.87 -0.03 0.00 0.77 0.00 0.00 66.41 66.45 1grg h THR 232 Cb 0.30 1.75 -0.04 0.00 -1.74 0.00 0.00 68.15 68.42 1grg h THR 232 CO -0.00 0.22 0.38 -1.13 0.37 0.00 0.00 175.52 175.35 1grg h ASN 233 N -0.48 1.09 -0.61 4.18 -1.24 -1.21 -2.06 115.58 115.25 1grg h ASN 233 Ca -0.01 -0.15 -0.08 0.00 0.71 0.00 0.00 56.30 56.78 1grg h ASN 233 Cb 0.42 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 39.16 1grg h ASN 233 CO 0.01 0.93 0.08 0.00 -1.29 0.00 0.00 177.43 177.17 1grg h THR 235 N 0.97 1.24 -0.58 0.00 2.02 -1.10 -1.91 112.91 113.56 1grg h THR 235 Ca 0.19 -0.86 -0.05 0.00 0.77 0.00 0.00 66.41 66.46 1grg h THR 235 Cb 0.45 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1grg h THR 235 CO 0.01 0.30 0.17 -0.33 0.37 0.00 0.00 175.52 176.05 1grg h GLU 236 N 0.61 0.91 -0.67 6.66 5.08 -1.20 -2.68 114.58 123.28 1grg h GLU 236 Ca 0.14 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1grg h GLU 236 Cb 0.35 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1grg h GLU 236 CO 0.00 0.82 0.27 0.93 -1.00 0.00 0.00 179.01 180.04 1grg h GLU 237 N 0.82 0.99 -0.26 2.33 4.39 -0.94 0.18 114.58 122.08 1grg h GLU 237 Ca 0.18 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1grg h GLU 237 Cb 0.30 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1grg h GLU 237 CO -0.00 0.80 0.14 -0.07 -1.16 0.00 0.00 179.01 178.72 1grg h LEU 238 N 0.97 0.32 -0.61 1.33 3.38 -1.25 -1.24 115.31 118.21 1grg h LEU 238 Ca 0.23 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1grg h LEU 238 Cb 0.18 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1grg h LEU 238 CO -0.02 0.31 0.20 -0.33 0.09 0.00 0.00 178.44 178.69 1grg h GLU 239 N 0.30 0.94 0.00 1.13 5.08 -1.05 -1.58 114.58 119.40 1grg h GLU 239 Ca 0.09 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1grg h GLU 239 Cb 0.06 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1grg h GLU 239 CO -0.01 0.83 -0.07 -0.91 -1.00 0.00 0.00 179.01 177.84 1grg h ASN 240 N 0.87 0.00 -0.16 1.42 2.35 -0.79 -1.34 115.58 117.93 1grg h ASN 240 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1grg h ASN 240 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1grg h ASN 240 CO -0.01 0.07 0.00 0.00 -1.65 0.00 0.00 177.43 175.84 1grg n ALA 241 N -2.42 2.52 -0.33 -0.83 0.00 -0.48 -4.93 120.51 114.04 1grg n ALA 241 Ca -0.03 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1grg n ALA 241 Cb 0.15 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1grg n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1grg n GLY 242 N 1.09 0.82 3.70 0.00 0.00 -0.50 -4.88 105.19 105.41 1grg n GLY 242 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1grg n GLY 242 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1grg s VAL 243 N -2.08 4.96 -0.37 1.61 1.01 -0.65 -4.70 120.40 120.19 1grg s VAL 243 Ca 0.00 1.60 -0.25 0.00 0.00 0.00 0.00 61.98 63.33 1grg s VAL 243 Cb 0.00 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.28 1grg s VAL 243 CO 0.00 0.16 0.90 -0.70 0.00 0.00 0.00 175.10 175.46 1grg s GLU 244 N 1.31 3.82 -0.37 2.72 2.12 -0.75 -4.10 118.70 123.45 1grg s GLU 244 Ca 0.40 0.52 -0.18 0.00 0.36 0.00 0.00 54.97 56.07 1grg s GLU 244 Cb -0.18 -3.81 0.00 0.00 0.26 0.00 0.00 34.13 30.41 1grg s GLU 244 CO 0.18 -0.93 0.51 0.08 -0.54 0.00 0.00 175.26 174.56 1grg s VAL 245 N 3.41 5.01 -0.66 3.70 1.01 -1.26 -0.44 120.40 131.17 1grg s VAL 245 Ca 0.37 0.22 -0.20 0.00 0.00 0.00 0.00 61.98 62.36 1grg s VAL 245 Cb -0.12 -4.00 0.09 0.00 0.00 0.00 0.00 36.38 32.35 1grg s VAL 245 CO 0.18 -0.28 0.86 -0.76 0.00 0.00 0.00 175.10 175.10 1grg s LEU 246 N 2.40 4.93 0.58 3.92 1.43 0.86 -4.95 118.68 127.85 1grg s LEU 246 Ca 0.18 -1.31 -0.14 0.00 -1.03 0.00 0.00 54.13 51.83 1grg s LEU 246 Cb -0.15 -2.36 -0.05 0.00 0.03 0.00 0.00 46.19 43.65 1grg s LEU 246 CO 0.14 -1.25 1.02 -0.54 0.23 0.00 0.00 176.35 175.95 1grg s LYS 247 N 3.27 3.60 -1.74 1.70 1.02 -1.26 -2.01 119.74 124.31 1grg s LYS 247 Ca 0.18 0.95 -0.19 0.00 0.02 0.00 0.00 55.97 56.94 1grg s LYS 247 Cb -0.19 -2.08 0.17 0.00 -0.52 0.00 0.00 37.83 35.21 1grg s LYS 247 CO 0.06 -0.57 0.71 1.19 -0.92 0.00 0.00 175.35 175.83 1grg n PHE 248 N -2.17 -1.57 -4.33 3.18 3.72 0.10 -4.72 117.46 111.66 1grg n PHE 248 Ca 0.07 0.76 -0.23 0.00 -0.05 0.00 0.00 57.45 58.00 1grg n PHE 248 Cb 0.54 -2.67 -0.12 0.00 -0.94 0.00 0.00 39.48 36.29 1grg n PHE 248 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1grg s SER 249 N -3.34 2.77 0.08 4.37 0.01 -0.71 -0.89 113.70 115.99 1grg s SER 249 Ca 0.73 -0.81 -0.16 0.00 1.31 0.00 0.00 55.95 57.02 1grg s SER 249 Cb -0.41 -0.17 0.03 0.00 0.21 0.00 0.00 66.02 65.69 1grg s SER 249 CO 0.96 0.02 0.37 0.00 0.41 0.00 0.00 173.24 175.00 1grg s GLN 250 N -2.51 0.96 0.06 12.44 -2.07 -0.57 -3.81 119.66 124.15 1grg s GLN 250 Ca 0.14 -0.57 -0.25 0.00 -1.82 0.00 0.00 55.36 52.86 1grg s GLN 250 Cb -0.07 0.42 -0.06 0.00 -1.09 0.00 0.00 33.01 32.21 1grg s GLN 250 CO 0.06 -0.34 0.77 0.08 -1.32 0.00 0.00 175.29 174.54 1grg s VAL 251 N -3.12 4.67 -0.17 3.63 1.01 -1.26 -1.46 120.40 123.70 1grg s VAL 251 Ca -0.01 1.64 0.08 0.00 0.00 0.00 0.00 61.98 63.69 1grg s VAL 251 Cb 0.01 -4.12 -0.16 0.00 0.00 0.00 0.00 36.38 32.11 1grg s VAL 251 CO -0.07 0.39 -0.06 1.17 0.00 0.00 0.00 175.10 176.53 1grg n LYS 252 N 2.61 1.02 -3.53 2.72 4.81 0.50 -4.92 118.16 121.37 1grg n LYS 252 Ca -0.03 0.05 -0.10 0.00 -0.87 0.00 0.00 58.31 57.36 1grg n LYS 252 Cb 0.50 -1.39 -0.03 0.00 0.02 0.00 0.00 35.03 34.13 1grg n LYS 252 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1grg s GLU 253 N -2.38 0.77 -0.03 1.64 -1.05 -1.16 -4.21 118.70 112.28 1grg s GLU 253 Ca -0.17 -0.11 0.04 0.00 -0.15 0.00 0.00 54.97 54.58 1grg s GLU 253 Cb 0.06 0.36 -0.00 0.00 -0.44 0.00 0.00 34.13 34.10 1grg s GLU 253 CO 0.54 -0.30 -0.14 0.08 0.95 0.00 0.00 175.26 176.39 1grg s VAL 254 N -2.32 1.17 0.01 1.83 1.01 0.28 -1.23 120.40 121.16 1grg s VAL 254 Ca 0.02 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1grg s VAL 254 Cb -0.01 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1grg s VAL 254 CO -0.04 0.34 0.00 -1.59 0.00 0.00 0.00 175.10 173.81 1grg s LYS 255 N 0.00 0.28 -0.51 2.72 -2.85 -0.62 -3.95 119.74 114.80 1grg s LYS 255 Ca -0.01 -0.46 -0.26 0.00 -1.00 0.00 0.00 55.97 54.24 1grg s LYS 255 Cb -0.09 0.10 0.03 0.00 -2.06 0.00 0.00 37.83 35.81 1grg s LYS 255 CO 0.01 -0.05 0.98 0.21 0.10 0.00 0.00 175.35 176.60 1grg s LYS 256 N -1.18 3.47 0.15 1.78 2.47 -1.26 -0.27 119.74 124.90 1grg s LYS 256 Ca -0.13 0.04 0.01 0.00 -1.56 0.00 0.00 55.97 54.33 1grg s LYS 256 Cb -0.08 -3.99 0.03 0.00 -1.46 0.00 0.00 37.83 32.33 1grg s LYS 256 CO -0.00 -1.40 0.21 0.25 0.16 0.00 0.00 175.35 174.57 1grg n THR 257 N 6.40 0.00 0.18 3.43 -2.24 0.46 -4.97 114.28 117.55 1grg n THR 257 Ca 0.05 -0.41 0.05 0.00 -2.27 0.00 0.00 64.05 61.48 1grg n THR 257 Cb 0.48 -1.09 0.52 0.00 -2.10 0.00 0.00 70.33 68.14 1grg n THR 257 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1grg h LEU 258 N 0.00 0.13 -5.96 3.22 3.38 -1.98 -3.32 115.31 110.77 1grg h LEU 258 Ca -0.07 -0.01 -0.49 0.00 0.09 0.00 0.00 57.88 57.40 1grg h LEU 258 Cb 0.29 -0.03 -0.33 0.00 0.09 0.00 0.00 40.66 40.67 1grg h LEU 258 CO 0.09 0.18 -0.90 -1.20 0.09 0.00 0.00 178.44 176.70 1grg n SER 259 N -4.43 -1.00 0.00 -0.43 7.64 -1.26 -5.10 113.62 109.05 1grg n SER 259 Ca -0.01 -2.60 0.00 0.00 1.01 0.00 0.00 58.87 57.27 1grg n SER 259 Cb 0.15 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1grg n SER 259 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1grg n GLY 260 N 2.44 -0.10 3.63 0.23 0.00 -1.25 -4.32 105.19 105.82 1grg n GLY 260 Ca 0.25 -1.91 -0.24 0.00 0.00 0.00 0.00 46.02 44.12 1grg n GLY 260 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1grg s LEU 261 N 0.00 3.16 -0.13 0.99 1.43 0.38 -0.40 118.68 124.10 1grg s LEU 261 Ca 0.00 -0.61 -0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1grg s LEU 261 Cb 0.00 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.52 1grg s LEU 261 CO 0.00 0.03 -0.10 -0.70 0.23 0.00 0.00 176.35 175.81 1grg s GLU 262 N -3.45 1.79 -0.24 1.70 2.12 0.63 -0.49 118.70 120.77 1grg s GLU 262 Ca 0.30 -0.41 -0.08 0.00 0.36 0.00 0.00 54.97 55.14 1grg s GLU 262 Cb -0.07 -1.84 -0.04 0.00 0.26 0.00 0.00 34.13 32.44 1grg s GLU 262 CO 0.19 -0.28 0.10 0.08 -0.54 0.00 0.00 175.26 174.80 1grg s VAL 263 N 1.61 4.67 -0.23 3.70 1.01 0.32 -1.59 120.40 129.88 1grg s VAL 263 Ca 0.04 -0.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.82 1grg s VAL 263 Cb -0.13 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1grg s VAL 263 CO -0.09 0.35 0.37 -0.44 0.00 0.00 0.00 175.10 175.28 1grg s SER 264 N 1.32 6.33 0.13 3.32 0.01 -0.36 0.21 113.70 124.66 1grg s SER 264 Ca 0.06 0.38 0.05 0.00 1.31 0.00 0.00 55.95 57.75 1grg s SER 264 Cb -0.15 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 1grg s SER 264 CO 0.05 -0.11 -0.12 0.00 0.41 0.00 0.00 173.24 173.46 1grg s MET 265 N 1.60 1.02 -0.17 12.44 0.23 0.72 -0.37 119.30 134.77 1grg s MET 265 Ca 0.16 -1.30 -0.03 0.00 -1.03 0.00 0.00 55.69 53.49 1grg s MET 265 Cb -0.15 -0.78 -0.02 0.00 -1.53 0.00 0.00 34.83 32.35 1grg s MET 265 CO 0.08 0.13 -0.07 0.08 -2.03 0.00 0.00 175.02 173.22 1grg s VAL 266 N -2.55 3.50 -0.20 5.16 1.01 -0.54 -0.81 120.40 125.97 1grg s VAL 266 Ca 0.11 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 1grg s VAL 266 Cb -0.02 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1grg s VAL 266 CO 0.02 0.48 -0.02 -0.89 0.00 0.00 0.00 175.10 174.69 1grg s THR 267 N 0.69 3.73 -0.53 3.92 2.01 -0.25 -1.51 115.64 123.69 1grg s THR 267 Ca -0.03 -0.39 0.05 0.00 0.31 0.00 0.00 61.69 61.63 1grg s THR 267 Cb -0.15 -2.68 0.19 0.00 0.01 0.00 0.00 72.50 69.87 1grg s THR 267 CO 0.02 0.43 0.47 0.00 -0.69 0.00 0.00 174.62 174.85 1grg n ALA 268 N 4.35 3.13 -1.91 7.40 0.00 -0.07 -1.28 120.51 132.13 1grg n ALA 268 Ca -0.17 -3.81 -0.41 0.00 0.00 0.00 0.00 53.44 49.04 1grg n ALA 268 Cb 0.52 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 1grg n ALA 268 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1grg s VAL 269 N -0.93 2.81 0.21 0.00 1.01 -1.26 -4.87 120.40 117.37 1grg s VAL 269 Ca 0.32 0.68 -0.30 0.00 0.00 0.00 0.00 61.98 62.68 1grg s VAL 269 Cb 0.05 -3.43 -0.09 0.00 0.00 0.00 0.00 36.38 32.91 1grg s VAL 269 CO -0.15 0.11 1.21 -2.84 0.00 0.00 0.00 175.10 173.42 1grg s PRO 270 N -0.30 4.48 0.00 2.72 0.02 -1.26 -2.42 135.00 138.24 1grg s PRO 270 Ca 0.59 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.53 1grg s PRO 270 Cb -0.40 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 30.91 1grg s PRO 270 CO 0.42 -0.08 0.00 0.41 -0.33 0.00 0.00 177.00 177.42 1grg n GLY 271 N 1.95 0.86 3.37 0.52 0.00 -1.26 -5.04 105.19 105.59 1grg n GLY 271 Ca 0.03 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 1grg n GLY 271 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1grg s ARG 272 N -1.15 1.18 0.26 1.61 3.52 -1.02 -5.13 118.95 118.22 1grg s ARG 272 Ca 0.00 -1.01 -0.22 0.00 -0.13 0.00 0.00 55.73 54.37 1grg s ARG 272 Cb 0.00 0.42 -0.09 0.00 -1.56 0.00 0.00 34.95 33.73 1grg s ARG 272 CO 0.00 -0.45 0.81 -0.51 -0.81 0.00 0.00 175.30 174.34 1grg s LEU 273 N -2.91 4.35 0.54 -0.88 1.43 -1.26 -4.72 118.68 115.23 1grg s LEU 273 Ca 0.12 1.58 -0.22 0.00 -1.03 0.00 0.00 54.13 54.58 1grg s LEU 273 Cb 0.02 -3.74 -0.05 0.00 0.03 0.00 0.00 46.19 42.46 1grg s LEU 273 CO -0.03 0.00 1.33 -2.16 0.23 0.00 0.00 176.35 175.72 1grg s PRO 274 N -1.98 3.17 -0.02 1.29 0.04 -1.26 -4.76 135.00 131.47 1grg s PRO 274 Ca 0.45 2.16 0.01 0.00 0.04 0.00 0.00 61.00 63.67 1grg s PRO 274 Cb -0.18 -2.24 0.01 0.00 0.04 0.00 0.00 34.50 32.14 1grg s PRO 274 CO 0.22 -1.15 -0.03 0.54 0.04 0.00 0.00 177.00 176.63 1grg s VAL 275 N -1.34 0.33 -0.14 -0.36 0.11 -0.40 -4.99 120.40 113.61 1grg s VAL 275 Ca 0.72 -0.07 -0.07 0.00 -2.93 0.00 0.00 61.98 59.62 1grg s VAL 275 Cb -0.39 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1grg s VAL 275 CO 0.45 0.15 0.12 -0.04 -3.33 0.00 0.00 175.10 172.45 1grg s MET 276 N 0.57 3.59 0.02 1.54 -1.94 -1.26 -1.10 119.30 120.73 1grg s MET 276 Ca -0.06 -0.19 0.03 0.00 -1.71 0.00 0.00 55.69 53.75 1grg s MET 276 Cb -0.10 -3.20 -0.02 0.00 2.01 0.00 0.00 34.83 33.53 1grg s MET 276 CO -0.01 0.63 -0.09 0.99 -0.01 0.00 0.00 175.02 176.54 1grg s THR 277 N -0.62 0.66 -0.15 2.05 2.01 0.01 -4.98 115.64 114.62 1grg s THR 277 Ca 0.12 -0.75 -0.06 0.00 0.31 0.00 0.00 61.69 61.32 1grg s THR 277 Cb -0.12 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 1grg s THR 277 CO 0.02 -0.09 0.06 -0.04 -0.69 0.00 0.00 174.62 173.88 1grg s MET 278 N -0.93 3.62 -0.28 4.92 -1.94 -1.26 -0.20 119.30 123.23 1grg s MET 278 Ca -0.02 -0.33 -0.04 0.00 -1.71 0.00 0.00 55.69 53.59 1grg s MET 278 Cb -0.07 -3.09 0.02 0.00 2.01 0.00 0.00 34.83 33.70 1grg s MET 278 CO 0.00 0.47 0.02 0.42 -0.01 0.00 0.00 175.02 175.93 1grg s ILE 279 N -0.20 3.43 0.32 2.53 1.01 0.56 -4.92 121.20 123.93 1grg s ILE 279 Ca 0.07 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.85 1grg s ILE 279 Cb -0.12 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.54 1grg s ILE 279 CO 0.01 0.09 0.47 -2.16 0.00 0.00 0.00 174.94 173.36 1grg s PRO 280 N 1.40 3.26 -1.38 2.79 0.04 -1.26 0.12 135.00 139.97 1grg s PRO 280 Ca 0.01 -0.76 -0.08 0.00 0.04 0.00 0.00 61.00 60.20 1grg s PRO 280 Cb -0.17 -2.78 0.03 0.00 0.04 0.00 0.00 34.50 31.61 1grg s PRO 280 CO -0.01 0.14 1.07 -0.25 0.04 0.00 0.00 177.00 178.00 1grg n ASP 281 N -1.65 -4.96 -4.71 6.66 8.00 -0.94 -4.95 116.55 113.99 1grg n ASP 281 Ca -0.03 -0.63 -0.38 0.00 0.71 0.00 0.00 54.79 54.45 1grg n ASP 281 Cb 0.57 -4.68 -0.06 0.00 -0.02 0.00 0.00 41.12 36.93 1grg n ASP 281 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1grg s VAL 282 N -3.35 5.14 -0.11 2.53 1.01 0.35 -4.68 120.40 121.30 1grg s VAL 282 Ca 0.48 1.08 -0.12 0.00 0.00 0.00 0.00 61.98 63.42 1grg s VAL 282 Cb -0.22 -3.88 -0.27 0.00 0.00 0.00 0.00 36.38 32.01 1grg s VAL 282 CO 0.76 0.29 0.46 0.44 0.00 0.00 0.00 175.10 177.05 1grg h ASP 283 N 6.82 0.40 -3.19 3.32 3.32 -1.47 0.11 116.42 125.72 1grg h ASP 283 Ca -0.40 -0.88 -0.54 0.00 0.02 0.00 0.00 57.03 55.23 1grg h ASP 283 Cb 1.18 -0.13 -0.37 0.00 0.22 0.00 0.00 39.33 40.23 1grg h ASP 283 CO 0.76 1.74 -0.80 0.00 -1.72 0.00 0.00 179.24 179.21 1grg s LEU 285 N 1.68 3.74 -0.26 0.00 2.96 -1.26 -0.66 118.68 124.87 1grg s LEU 285 Ca 0.04 -0.75 -0.03 0.00 -0.22 0.00 0.00 54.13 53.17 1grg s LEU 285 Cb -0.13 -1.84 0.02 0.00 0.50 0.00 0.00 46.19 44.74 1grg s LEU 285 CO -0.08 -0.18 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.52 1grg s LEU 286 N 1.46 3.37 -0.23 -0.68 0.20 0.10 0.36 118.68 123.26 1grg s LEU 286 Ca 0.02 -0.84 -0.26 0.00 0.69 0.00 0.00 54.13 53.74 1grg s LEU 286 Cb -0.17 -1.72 -0.00 0.00 -0.43 0.00 0.00 46.19 43.87 1grg s LEU 286 CO 0.01 -0.15 0.90 0.26 -0.29 0.00 0.00 176.35 177.08 1grg s TRP 287 N 1.36 3.33 -0.42 5.38 0.52 0.39 -0.88 118.94 128.64 1grg s TRP 287 Ca 0.01 1.26 0.11 0.00 0.02 0.00 0.00 56.10 57.49 1grg s TRP 287 Cb -0.17 -3.12 0.38 0.00 -1.15 0.00 0.00 33.47 29.41 1grg s TRP 287 CO -0.03 -0.41 0.87 0.00 0.02 0.00 0.00 176.95 177.41 1grg n ALA 288 N 6.01 3.31 0.48 0.98 0.00 0.84 -4.29 120.51 127.84 1grg n ALA 288 Ca 0.07 -3.79 0.11 0.00 0.00 0.00 0.00 53.44 49.83 1grg n ALA 288 Cb 0.47 -0.84 -0.11 0.00 0.00 0.00 0.00 19.45 18.98 1grg n ALA 288 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1grg n ILE 289 N -0.01 0.05 -0.68 0.00 -5.35 -1.24 -4.20 119.36 107.93 1grg n ILE 289 Ca 0.25 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1grg n ILE 289 Cb 0.62 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.92 1grg n ILE 289 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1grg n GLY 290 N 1.37 -2.45 3.12 3.28 0.00 -1.26 -5.01 105.19 104.24 1grg n GLY 290 Ca 0.00 -1.26 -0.18 0.00 0.00 0.00 0.00 46.02 44.58 1grg n GLY 290 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1grg s ARG 291 N -1.95 0.81 0.06 1.61 1.81 -1.26 -0.98 118.95 119.05 1grg s ARG 291 Ca 0.00 -0.73 0.09 0.00 -1.72 0.00 0.00 55.73 53.36 1grg s ARG 291 Cb 0.00 -0.78 -0.03 0.00 -0.45 0.00 0.00 34.95 33.69 1grg s ARG 291 CO 0.00 0.19 -0.23 0.54 -0.68 0.00 0.00 175.30 175.12 1grg s VAL 292 N -0.93 2.44 0.49 3.52 0.11 0.22 -4.82 120.40 121.43 1grg s VAL 292 Ca -0.01 -1.38 -0.19 0.00 -2.93 0.00 0.00 61.98 57.47 1grg s VAL 292 Cb -0.08 -2.01 -0.09 0.00 -1.53 0.00 0.00 36.38 32.67 1grg s VAL 292 CO 0.01 0.30 1.01 -2.16 -3.33 0.00 0.00 175.10 170.93 1grg s PRO 293 N -1.50 3.88 -1.08 1.54 0.04 -1.26 -1.07 135.00 135.55 1grg s PRO 293 Ca 0.14 1.23 -0.14 0.00 0.04 0.00 0.00 61.00 62.27 1grg s PRO 293 Cb -0.10 -2.12 0.19 0.00 0.04 0.00 0.00 34.50 32.52 1grg s PRO 293 CO 0.04 -0.35 1.20 1.21 0.04 0.00 0.00 177.00 179.15 1grg s ASN 294 N -2.25 7.00 0.00 6.66 3.84 -0.33 -4.55 114.94 125.31 1grg s ASN 294 Ca 0.64 -2.90 0.00 0.00 0.21 0.00 0.00 52.86 50.82 1grg s ASN 294 Cb -0.13 -2.33 0.00 0.00 -0.55 0.00 0.00 41.25 38.24 1grg s ASN 294 CO 0.21 -0.68 0.00 0.35 -2.79 0.00 0.00 177.10 174.19 1grg n THR 295 N 4.26 0.00 -0.27 -5.21 -2.24 -1.26 -4.76 114.28 104.81 1grg n THR 295 Ca 0.28 -0.09 0.07 0.00 -2.27 0.00 0.00 64.05 62.04 1grg n THR 295 Cb 0.44 0.64 0.21 0.00 -2.10 0.00 0.00 70.33 69.52 1grg n THR 295 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1grg h LYS 296 N 0.00 0.35 -0.54 -0.78 3.11 -1.90 -2.59 116.57 114.23 1grg h LYS 296 Ca 0.00 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1grg h LYS 296 Cb 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.15 1grg h LYS 296 CO 0.00 0.23 0.00 -0.25 -2.81 0.00 0.00 179.45 176.62 1grg n ASP 297 N -5.07 5.31 0.07 4.20 8.00 -1.26 -4.42 116.55 123.37 1grg n ASP 297 Ca 0.16 -2.87 0.12 0.00 0.71 0.00 0.00 54.79 52.91 1grg n ASP 297 Cb 0.48 -0.65 0.19 0.00 -0.02 0.00 0.00 41.12 41.13 1grg n ASP 297 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1grg h LEU 298 N 3.67 0.00 -0.89 0.64 3.38 -1.73 -3.43 115.31 116.95 1grg h LEU 298 Ca 0.00 -0.18 -0.38 0.00 0.09 0.00 0.00 57.88 57.41 1grg h LEU 298 Cb 1.82 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.70 1grg h LEU 298 CO 0.41 0.09 -0.65 -1.20 0.09 0.00 0.00 178.44 177.19 1grg n SER 299 N -2.15 -6.02 -0.28 -0.43 7.64 -1.26 -0.55 113.62 110.57 1grg n SER 299 Ca 0.03 -0.51 0.03 0.00 1.01 0.00 0.00 58.87 59.43 1grg n SER 299 Cb 0.44 -4.79 0.24 0.00 -1.01 0.00 0.00 64.21 59.08 1grg n SER 299 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1grg h LEU 300 N -2.54 0.90 -2.89 -3.43 3.38 -1.91 -0.88 115.31 107.93 1grg h LEU 300 Ca -0.54 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.43 1grg h LEU 300 Cb 1.35 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 1grg h LEU 300 CO 0.53 0.60 -0.00 -0.55 0.09 0.00 0.00 178.44 179.11 1grg h ASN 301 N 1.04 0.00 0.78 -0.43 -1.07 -1.90 0.02 115.58 114.02 1grg h ASN 301 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.73 1grg h ASN 301 Cb 0.11 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.36 1grg h ASN 301 CO -0.12 0.00 0.00 0.11 0.07 0.00 0.00 177.43 177.49 1grg h LYS 302 N 0.00 0.00 -0.00 4.14 1.57 -1.49 -2.47 116.57 118.32 1grg h LYS 302 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1grg h LYS 302 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1grg h LYS 302 CO 0.00 0.00 -0.17 1.28 -0.57 0.00 0.00 179.45 179.99 1grg n LEU 303 N -2.74 0.77 -1.64 2.94 4.77 -0.12 -4.82 117.00 116.16 1grg n LEU 303 Ca 0.01 -0.69 -0.12 0.00 -0.03 0.00 0.00 56.01 55.17 1grg n LEU 303 Cb 0.24 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1grg n LEU 303 CO 0.23 0.17 -0.03 0.61 -1.33 0.00 0.00 177.39 177.04 1grg n GLY 304 N 0.84 0.01 3.72 -0.72 0.00 -0.51 -4.97 105.19 103.54 1grg n GLY 304 Ca 0.02 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1grg n GLY 304 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1grg s ILE 305 N -2.81 4.24 0.14 -0.61 1.01 -0.99 -4.92 121.20 117.25 1grg s ILE 305 Ca 0.13 1.64 -0.30 0.00 0.00 0.00 0.00 60.65 62.12 1grg s ILE 305 Cb -0.06 -4.05 -0.07 0.00 0.01 0.00 0.00 42.46 38.29 1grg s ILE 305 CO 0.16 0.15 1.17 -1.10 0.00 0.00 0.00 174.94 175.32 1grg s GLN 306 N 0.86 4.50 0.23 2.79 -0.21 -1.26 -4.71 119.66 121.86 1grg s GLN 306 Ca 0.56 1.79 0.04 0.00 0.02 0.00 0.00 55.36 57.77 1grg s GLN 306 Cb -0.27 -3.29 -0.05 0.00 1.00 0.00 0.00 33.01 30.40 1grg s GLN 306 CO 0.30 -0.10 -0.02 0.95 -2.12 0.00 0.00 175.29 174.29 1grg s THR 307 N 0.29 1.17 0.07 -0.19 -4.23 -1.26 -1.49 115.64 110.01 1grg s THR 307 Ca 0.54 -2.05 -0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1grg s THR 307 Cb -0.31 -2.33 0.01 0.00 1.34 0.00 0.00 72.50 71.22 1grg s THR 307 CO 0.33 -0.35 0.09 -0.90 -0.54 0.00 0.00 174.62 173.26 1grg n ASP 308 N -0.44 0.11 0.00 3.99 5.68 0.04 -4.86 116.55 121.07 1grg n ASP 308 Ca -0.05 -1.10 0.13 0.00 -0.50 0.00 0.00 54.79 53.27 1grg n ASP 308 Cb 0.64 -0.06 0.65 0.00 -1.14 0.00 0.00 41.12 41.21 1grg n ASP 308 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1grg n ASP 309 N -3.00 0.00 -0.04 -1.12 5.68 -1.26 -2.20 116.55 114.61 1grg n ASP 309 Ca 0.01 0.09 0.12 0.00 -0.50 0.00 0.00 54.79 54.51 1grg n ASP 309 Cb 0.05 -0.35 0.16 0.00 -1.14 0.00 0.00 41.12 39.84 1grg n ASP 309 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1grg n LYS 310 N -1.35 0.11 0.00 0.11 4.76 -1.26 -4.93 118.16 115.59 1grg n LYS 310 Ca 0.11 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1grg n LYS 310 Cb 0.25 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 1grg n LYS 310 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1grg n GLY 311 N 1.48 0.83 3.78 0.72 0.00 -0.94 -4.48 105.19 106.58 1grg n GLY 311 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1grg n GLY 311 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1grg s HIS 312 N -2.00 3.20 0.10 1.61 3.76 -1.26 -4.65 115.29 116.05 1grg s HIS 312 Ca 0.00 1.61 -0.30 0.00 -0.15 0.00 0.00 55.06 56.23 1grg s HIS 312 Cb 0.00 -3.24 -0.06 0.00 1.11 0.00 0.00 32.58 30.40 1grg s HIS 312 CO 0.00 -0.89 0.95 0.42 -0.85 0.00 0.00 174.74 174.37 1grg s ILE 313 N -1.54 4.53 0.05 0.60 1.01 -0.93 -0.78 121.20 124.15 1grg s ILE 313 Ca 0.57 2.05 -0.21 0.00 0.00 0.00 0.00 60.65 63.06 1grg s ILE 313 Cb -0.26 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 37.84 1grg s ILE 313 CO 0.32 0.31 0.63 -0.63 0.00 0.00 0.00 174.94 175.58 1grg s ILE 314 N 0.05 4.77 0.18 2.92 -1.09 -0.56 -4.48 121.20 122.99 1grg s ILE 314 Ca 0.47 1.35 -0.00 0.00 -2.23 0.00 0.00 60.65 60.24 1grg s ILE 314 Cb -0.23 -3.97 -0.04 0.00 -1.58 0.00 0.00 42.46 36.63 1grg s ILE 314 CO 0.29 0.46 0.07 0.68 -1.23 0.00 0.00 174.94 175.22 1grg s VAL 315 N -0.55 0.27 0.00 2.92 -7.23 -1.26 -4.40 120.40 110.16 1grg s VAL 315 Ca 0.32 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 1grg s VAL 315 Cb -0.19 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.48 1grg s VAL 315 CO 0.20 -0.28 0.00 -0.90 -0.31 0.00 0.00 175.10 173.81 1grg n ASP 316 N -0.23 0.00 0.12 4.85 5.68 -0.28 -4.90 116.55 121.79 1grg n ASP 316 Ca -0.03 -0.87 0.11 0.00 -0.50 0.00 0.00 54.79 53.50 1grg n ASP 316 Cb 0.65 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 41.09 1grg n ASP 316 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1grg n GLU 317 N -0.87 0.15 -0.23 0.11 0.28 -1.26 -1.90 120.64 116.93 1grg n GLU 317 Ca 0.00 0.44 0.06 0.00 -0.16 0.00 0.00 57.16 57.51 1grg n GLU 317 Cb 0.00 -1.83 0.18 0.00 1.43 0.00 0.00 31.44 31.22 1grg n GLU 317 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1grg n PHE 318 N -2.13 0.58 -1.04 -1.84 3.72 -1.26 -4.53 117.46 110.97 1grg n PHE 318 Ca 0.02 -0.54 -0.01 0.00 -0.05 0.00 0.00 57.45 56.86 1grg n PHE 318 Cb 0.18 -0.06 -0.01 0.00 -0.94 0.00 0.00 39.48 38.65 1grg n PHE 318 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1grg n GLN 319 N 0.51 -0.44 -2.50 -1.08 1.13 -0.80 -4.97 117.38 109.24 1grg n GLN 319 Ca 0.14 0.26 -0.38 0.00 -1.94 0.00 0.00 57.00 55.08 1grg n GLN 319 Cb 0.50 -3.69 -0.04 0.00 0.11 0.00 0.00 30.24 27.12 1grg n GLN 319 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1grg s ASN 320 N -2.24 6.89 0.38 1.08 0.01 -1.26 -1.76 114.94 118.05 1grg s ASN 320 Ca 0.00 2.13 0.00 0.00 -0.71 0.00 0.00 52.86 54.28 1grg s ASN 320 Cb 0.00 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.06 1grg s ASN 320 CO 0.00 -0.40 0.00 0.35 -1.51 0.00 0.00 177.10 175.54 1grg n THR 321 N 0.33 0.00 1.10 1.60 -2.24 -0.72 -1.12 114.28 113.23 1grg n THR 321 Ca 0.03 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.95 1grg n THR 321 Cb 0.48 -1.56 0.52 0.00 -2.10 0.00 0.00 70.33 67.66 1grg n THR 321 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1grg n ASN 322 N -2.03 0.24 -4.65 3.42 6.94 -1.26 -4.76 115.26 113.16 1grg n ASN 322 Ca 0.00 0.03 -0.35 0.00 -0.02 0.00 0.00 54.58 54.24 1grg n ASN 322 Cb 0.00 -0.18 -0.09 0.00 -2.36 0.00 0.00 39.78 37.14 1grg n ASN 322 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1grg s VAL 323 N -2.87 4.73 0.25 3.53 1.01 -1.26 -5.06 120.40 120.72 1grg s VAL 323 Ca 0.17 -0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.78 1grg s VAL 323 Cb 0.19 -3.10 -0.12 0.00 0.00 0.00 0.00 36.38 33.35 1grg s VAL 323 CO 0.57 0.50 1.65 -0.54 0.00 0.00 0.00 175.10 177.27 1grg s LYS 324 N 0.07 4.13 -0.02 2.72 1.02 -1.26 -2.69 119.74 123.70 1grg s LYS 324 Ca 0.05 2.58 0.00 0.00 0.02 0.00 0.00 55.97 58.62 1grg s LYS 324 Cb -0.12 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.14 1grg s LYS 324 CO 0.01 -0.69 0.00 0.41 -0.92 0.00 0.00 175.35 174.16 1grg n GLY 325 N 3.04 0.45 2.98 -3.33 0.00 -1.26 -4.99 105.19 102.07 1grg n GLY 325 Ca 0.12 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 1grg n GLY 325 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1grg s ILE 326 N -2.00 1.33 0.34 -0.61 1.01 -1.10 -0.67 121.20 119.50 1grg s ILE 326 Ca 0.00 -0.49 0.06 0.00 0.00 0.00 0.00 60.65 60.22 1grg s ILE 326 Cb 0.00 -1.27 -0.07 0.00 0.01 0.00 0.00 42.46 41.13 1grg s ILE 326 CO 0.00 0.42 0.01 -0.31 0.00 0.00 0.00 174.94 175.05 1grg s TYR 327 N 1.46 2.15 -0.13 3.97 1.51 -0.27 -1.76 117.35 124.29 1grg s TYR 327 Ca 0.02 -0.78 -0.14 0.00 -1.01 0.00 0.00 57.07 55.16 1grg s TYR 327 Cb -0.13 -1.39 0.04 0.00 -0.11 0.00 0.00 41.96 40.36 1grg s TYR 327 CO -0.08 0.24 0.39 0.00 -1.11 0.00 0.00 175.55 175.00 1grg s ALA 328 N -3.01 -0.97 0.08 3.71 0.00 -0.72 -0.55 121.76 120.29 1grg s ALA 328 Ca 0.34 1.04 -0.03 0.00 0.00 0.00 0.00 51.96 53.31 1grg s ALA 328 Cb 0.08 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1grg s ALA 328 CO 0.15 -0.20 0.06 0.14 0.00 0.00 0.00 175.76 175.91 1grg s VAL 329 N 0.03 0.17 0.00 0.00 -7.23 -1.12 -4.72 120.40 107.53 1grg s VAL 329 Ca -0.02 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 1grg s VAL 329 Cb -0.03 -1.58 0.00 0.00 0.56 0.00 0.00 36.38 35.33 1grg s VAL 329 CO 0.01 -0.79 0.00 0.61 -0.31 0.00 0.00 175.10 174.63 1grg n GLY 330 N 0.02 -1.61 0.42 2.32 0.00 -1.26 -4.25 105.19 100.83 1grg n GLY 330 Ca -0.12 -1.42 0.24 0.00 0.00 0.00 0.00 46.02 44.72 1grg n GLY 330 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1grg h ASP 331 N 0.00 0.00 0.26 1.61 5.19 -1.89 -1.64 116.42 119.95 1grg h ASP 331 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1grg h ASP 331 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 1grg h ASP 331 CO 0.00 0.00 -0.03 1.62 -3.12 0.00 0.00 179.24 177.71 1grg h VAL 332 N 0.00 0.25 0.00 -1.35 3.04 -1.74 -0.84 116.25 115.62 1grg h VAL 332 Ca 0.33 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.80 1grg h VAL 332 Cb 1.36 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 1grg h VAL 332 CO -0.00 0.03 -0.62 0.00 -1.01 0.00 0.00 177.57 175.97 1grg n GLY 334 N 1.32 0.52 3.19 0.00 0.00 -0.32 -4.68 105.19 105.22 1grg n GLY 334 Ca 0.03 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 1grg n GLY 334 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1grg s LYS 335 N -1.25 2.62 -0.63 1.61 -2.85 -1.26 -4.82 119.74 113.15 1grg s LYS 335 Ca 0.00 -0.79 -0.11 0.00 -1.00 0.00 0.00 55.97 54.07 1grg s LYS 335 Cb 0.00 -2.07 0.02 0.00 -2.06 0.00 0.00 37.83 33.72 1grg s LYS 335 CO 0.00 0.21 0.65 0.00 0.10 0.00 0.00 175.35 176.30 1grg n ALA 336 N 3.40 -2.66 -1.95 0.59 0.00 -1.26 -4.79 120.51 113.84 1grg n ALA 336 Ca -0.19 0.28 -0.41 0.00 0.00 0.00 0.00 53.44 53.12 1grg n ALA 336 Cb 0.53 -1.99 -0.02 0.00 0.00 0.00 0.00 19.45 17.97 1grg n ALA 336 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1grg n LEU 337 N -1.35 5.40 -4.03 0.00 4.77 -1.26 -4.77 117.00 115.77 1grg n LEU 337 Ca -0.07 -3.77 -0.12 0.00 -0.03 0.00 0.00 56.01 52.02 1grg n LEU 337 Cb 0.57 -1.61 -0.12 0.00 -2.33 0.00 0.00 43.42 39.93 1grg n LEU 337 CO 0.55 0.25 -0.39 -0.76 -1.33 0.00 0.00 177.39 175.71 1grg s LEU 338 N 3.66 2.22 0.11 2.23 1.43 -1.26 -5.07 118.68 121.99 1grg s LEU 338 Ca 0.53 -0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 52.97 1grg s LEU 338 Cb 0.09 -0.11 -0.07 0.00 0.03 0.00 0.00 46.19 46.13 1grg s LEU 338 CO 0.02 -0.19 1.68 0.74 0.23 0.00 0.00 176.35 178.83 1grg h THR 339 N 4.61 1.14 0.00 5.49 2.02 -2.00 -2.64 112.91 121.53 1grg h THR 339 Ca -0.34 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.39 1grg h THR 339 Cb 1.20 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1grg h THR 339 CO 0.42 0.14 -0.29 -0.65 0.37 0.00 0.00 175.52 175.51 1grg h PRO 340 N 0.24 0.00 -0.21 6.66 0.11 -1.98 -2.14 132.00 134.69 1grg h PRO 340 Ca 0.08 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.09 1grg h PRO 340 Cb 0.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 1grg h PRO 340 CO -0.01 0.29 -0.25 0.28 -0.21 0.00 0.00 178.00 178.10 1grg h VAL 341 N 0.00 1.33 -0.35 3.15 2.07 -1.81 -0.23 116.25 120.41 1grg h VAL 341 Ca -0.00 -1.43 0.01 0.00 0.82 0.00 0.00 66.70 66.10 1grg h VAL 341 Cb 0.54 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1grg h VAL 341 CO 0.04 0.44 0.20 0.00 0.02 0.00 0.00 177.57 178.27 1grg h ALA 342 N 0.64 0.43 0.48 1.67 0.00 -1.21 0.84 119.26 122.11 1grg h ALA 342 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1grg h ALA 342 Cb 0.81 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1grg h ALA 342 CO 0.06 -0.15 -0.38 0.82 0.00 0.00 0.00 179.25 179.59 1grg h ILE 343 N 0.41 0.22 -0.85 0.00 2.04 -1.33 -0.42 117.51 117.58 1grg h ILE 343 Ca 0.14 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.05 1grg h ILE 343 Cb 0.01 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.25 1grg h ILE 343 CO -0.07 0.00 0.53 0.00 0.00 0.00 0.00 178.15 178.61 1grg h ALA 344 N -0.49 1.15 -0.48 1.87 0.00 -0.89 0.13 119.26 120.56 1grg h ALA 344 Ca -0.05 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1grg h ALA 344 Cb 0.73 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1grg h ALA 344 CO -0.01 0.29 -0.17 0.00 0.00 0.00 0.00 179.25 179.36 1grg h ALA 345 N 1.39 0.79 -0.69 0.00 0.00 -0.69 -1.07 119.26 118.99 1grg h ALA 345 Ca 0.36 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1grg h ALA 345 Cb 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1grg h ALA 345 CO -0.16 0.66 0.16 0.78 0.00 0.00 0.00 179.25 180.69 1grg h GLY 346 N 0.93 1.19 0.53 0.00 0.00 -0.59 -2.12 103.07 103.00 1grg h GLY 346 Ca 0.12 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.70 1grg h GLY 346 CO 0.06 0.69 -0.00 3.21 0.00 0.00 0.00 176.54 180.50 1grg h ARG 347 N 1.04 -0.00 -0.72 4.80 3.08 -0.80 -2.57 114.38 119.21 1grg h ARG 347 Ca 0.22 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.37 1grg h ARG 347 Cb 0.38 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 1grg h ARG 347 CO 0.00 0.47 0.47 0.87 -1.07 0.00 0.00 179.97 180.71 1grg h LYS 348 N -0.48 0.56 -0.47 0.04 1.79 -1.18 -1.83 116.57 115.01 1grg h LYS 348 Ca -0.00 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.31 1grg h LYS 348 Cb 0.47 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1grg h LYS 348 CO 0.00 0.37 -0.21 1.25 -1.08 0.00 0.00 179.45 179.78 1grg h LEU 349 N 0.58 0.97 -0.64 2.94 5.85 -1.33 -1.76 115.31 121.92 1grg h LEU 349 Ca 0.33 -0.36 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 1grg h LEU 349 Cb 0.52 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1grg h LEU 349 CO -0.11 1.14 0.05 0.00 -0.34 0.00 0.00 178.44 179.18 1grg h ALA 350 N 0.93 0.86 -0.63 1.25 0.00 -0.93 -1.46 119.26 119.28 1grg h ALA 350 Ca 0.11 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1grg h ALA 350 Cb 0.77 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1grg h ALA 350 CO 0.06 0.67 0.16 0.45 0.00 0.00 0.00 179.25 180.59 1grg h HIS 351 N 1.01 1.01 -0.34 0.00 3.86 -1.26 -0.27 115.15 119.16 1grg h HIS 351 Ca 0.19 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1grg h HIS 351 Cb 0.51 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1grg h HIS 351 CO 0.04 0.83 0.06 -0.09 0.86 0.00 0.00 177.93 179.63 1grg h ARG 352 N 0.93 0.56 0.21 2.45 2.43 -1.09 -0.26 114.38 119.62 1grg h ARG 352 Ca 0.20 -0.15 -0.33 0.00 -0.81 0.00 0.00 59.98 58.90 1grg h ARG 352 Cb 0.32 -0.07 0.04 0.00 -0.42 0.00 0.00 29.97 29.84 1grg h ARG 352 CO -0.00 0.64 -1.41 -0.07 -1.51 0.00 0.00 179.97 177.62 1grg h LEU 353 N 0.40 0.87 -0.35 3.80 3.38 -1.12 -3.12 115.31 119.17 1grg h LEU 353 Ca 0.11 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1grg h LEU 353 Cb 0.34 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1grg h LEU 353 CO 0.01 1.69 -0.39 0.49 0.09 0.00 0.00 178.44 180.32 1grg n PHE 354 N -3.75 0.00 0.14 1.13 3.72 -0.13 -4.34 117.46 114.23 1grg n PHE 354 Ca -0.16 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.27 1grg n PHE 354 Cb 1.07 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.64 1grg n PHE 354 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1grg n GLU 355 N -0.80 0.51 -2.13 -1.08 2.13 -0.13 -4.96 120.64 114.17 1grg n GLU 355 Ca 0.03 -1.04 -0.20 0.00 0.66 0.00 0.00 57.16 56.61 1grg n GLU 355 Cb 0.20 -1.10 -0.03 0.00 0.27 0.00 0.00 31.44 30.78 1grg n GLU 355 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1grg n TYR 356 N 0.20 -0.66 -2.85 4.31 4.01 -1.06 -4.92 117.16 116.20 1grg n TYR 356 Ca 0.04 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.34 1grg n TYR 356 Cb 0.18 -3.72 -0.03 0.00 -0.31 0.00 0.00 39.34 35.46 1grg n TYR 356 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1grg s LYS 357 N -4.60 3.52 0.55 -0.72 1.02 -1.09 -4.90 119.74 113.53 1grg s LYS 357 Ca 0.00 -1.50 0.30 0.00 0.02 0.00 0.00 55.97 54.79 1grg s LYS 357 Cb 0.00 -4.89 1.60 0.00 -0.52 0.00 0.00 37.83 34.02 1grg s LYS 357 CO 0.00 -1.86 2.13 1.05 -0.92 0.00 0.00 175.35 175.75 1grg h GLU 358 N 9.12 0.00 -0.30 1.68 4.11 -1.89 -1.68 114.58 125.62 1grg h GLU 358 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1grg h GLU 358 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1grg h GLU 358 CO 1.18 0.08 0.00 -0.40 0.07 0.00 0.00 179.01 179.94 1grg n ASP 359 N -3.59 2.13 -4.61 3.06 5.75 -1.26 -4.87 116.55 113.17 1grg n ASP 359 Ca -0.02 -1.86 -0.43 0.00 -0.01 0.00 0.00 54.79 52.47 1grg n ASP 359 Cb 0.20 -0.19 -0.02 0.00 -1.03 0.00 0.00 41.12 40.08 1grg n ASP 359 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1grg s SER 360 N -1.34 6.59 0.15 -1.12 0.15 -0.63 -4.96 113.70 112.54 1grg s SER 360 Ca 0.32 0.78 -0.24 0.00 0.70 0.00 0.00 55.95 57.50 1grg s SER 360 Cb 0.17 -2.54 0.07 0.00 -1.71 0.00 0.00 66.02 62.01 1grg s SER 360 CO 0.24 -1.23 0.65 -1.59 1.20 0.00 0.00 173.24 172.51 1grg s LYS 361 N 4.45 1.26 -0.01 5.44 -2.85 -1.26 -4.66 119.74 122.12 1grg s LYS 361 Ca 0.53 -0.49 -0.23 0.00 -1.00 0.00 0.00 55.97 54.78 1grg s LYS 361 Cb -0.11 0.56 -0.05 0.00 -2.06 0.00 0.00 37.83 36.17 1grg s LYS 361 CO 0.28 -0.56 0.68 -1.17 0.10 0.00 0.00 175.35 174.69 1grg s LEU 362 N -2.73 4.40 -0.33 2.77 2.96 -1.26 -5.01 118.68 119.47 1grg s LEU 362 Ca 0.02 1.26 -0.26 0.00 -0.22 0.00 0.00 54.13 54.93 1grg s LEU 362 Cb -0.01 -3.06 0.01 0.00 0.50 0.00 0.00 46.19 43.62 1grg s LEU 362 CO -0.11 0.01 0.93 -0.62 -1.32 0.00 0.00 176.35 175.25 1grg s ASP 363 N 0.13 6.76 0.00 3.68 2.15 -1.26 -4.93 116.67 123.21 1grg s ASP 363 Ca 0.35 0.78 0.16 0.00 0.43 0.00 0.00 52.55 54.27 1grg s ASP 363 Cb -0.19 -2.47 0.89 0.00 -0.30 0.00 0.00 42.92 40.85 1grg s ASP 363 CO 0.19 -0.78 1.59 -1.22 -0.17 0.00 0.00 175.17 174.78 1grg n TYR 364 N 6.60 0.05 -3.28 -5.34 4.02 -1.26 -4.84 117.16 113.10 1grg n TYR 364 Ca 0.08 -0.02 -0.28 0.00 -0.01 0.00 0.00 57.90 57.67 1grg n TYR 364 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.77 1grg n TYR 364 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1grg s ASN 365 N -1.49 6.41 -1.46 7.72 0.02 -1.26 -4.36 114.94 120.53 1grg s ASN 365 Ca 0.25 0.70 -0.09 0.00 -1.02 0.00 0.00 52.86 52.70 1grg s ASN 365 Cb 0.12 -2.14 0.04 0.00 0.02 0.00 0.00 41.25 39.29 1grg s ASN 365 CO 0.19 -0.24 0.87 0.59 0.02 0.00 0.00 177.10 178.53 1grg n ASN 366 N -1.16 -5.59 -4.67 -1.22 5.03 -1.26 -4.97 115.26 101.41 1grg n ASN 366 Ca -0.02 -0.50 -0.41 0.00 0.87 0.00 0.00 54.58 54.52 1grg n ASN 366 Cb 0.54 -4.47 -0.04 0.00 -1.02 0.00 0.00 39.78 34.79 1grg n ASN 366 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1grg s ILE 367 N -3.22 4.88 0.42 2.41 1.01 -1.26 -4.72 121.20 120.71 1grg s ILE 367 Ca 0.50 1.65 -0.17 0.00 0.00 0.00 0.00 60.65 62.62 1grg s ILE 367 Cb -0.23 -4.14 -0.09 0.00 0.01 0.00 0.00 42.46 38.00 1grg s ILE 367 CO 0.61 0.03 0.89 -2.16 0.00 0.00 0.00 174.94 174.30 1grg s PRO 368 N 2.14 4.06 0.01 2.79 0.04 -1.26 -4.40 135.00 138.38 1grg s PRO 368 Ca 0.39 0.90 0.02 0.00 0.04 0.00 0.00 61.00 62.35 1grg s PRO 368 Cb -0.17 -2.25 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 1grg s PRO 368 CO 0.13 -0.04 -0.06 0.99 0.04 0.00 0.00 177.00 178.06 1grg s THR 369 N -2.25 0.45 -0.07 1.26 2.01 0.19 -5.00 115.64 112.23 1grg s THR 369 Ca 0.58 -0.55 0.05 0.00 0.31 0.00 0.00 61.69 62.08 1grg s THR 369 Cb -0.10 -0.44 -0.00 0.00 0.01 0.00 0.00 72.50 71.97 1grg s THR 369 CO 0.20 -0.08 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.15 1grg s VAL 370 N -0.61 1.79 -0.20 3.82 1.01 -1.26 -0.48 120.40 124.48 1grg s VAL 370 Ca -0.03 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 1grg s VAL 370 Cb -0.05 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 1grg s VAL 370 CO 0.00 0.50 -0.00 -0.69 0.00 0.00 0.00 175.10 174.91 1grg s VAL 371 N 0.15 3.95 -1.39 2.92 1.01 0.63 -4.95 120.40 122.73 1grg s VAL 371 Ca -0.10 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 1grg s VAL 371 Cb -0.15 -2.78 0.09 0.00 0.00 0.00 0.00 36.38 33.54 1grg s VAL 371 CO 0.05 0.43 2.23 0.49 0.00 0.00 0.00 175.10 178.30 1grg n PHE 372 N 4.18 2.95 -2.18 5.22 3.72 -1.26 -0.41 117.46 129.68 1grg n PHE 372 Ca -0.17 -2.89 0.00 0.00 -0.05 0.00 0.00 57.45 54.34 1grg n PHE 372 Cb 0.52 -2.17 0.00 0.00 -0.94 0.00 0.00 39.48 36.88 1grg n PHE 372 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1grg n SER 373 N 4.03 0.00 -3.81 4.37 3.41 -1.26 -4.64 113.62 115.72 1grg n SER 373 Ca 0.53 -0.64 -0.30 0.00 -0.26 0.00 0.00 58.87 58.20 1grg n SER 373 Cb 0.33 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.12 1grg n SER 373 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1grg s HIS 374 N 0.90 1.93 0.82 7.33 0.09 -1.26 -2.61 115.29 122.49 1grg s HIS 374 Ca 0.00 -1.69 -0.12 0.00 -0.00 0.00 0.00 55.06 53.25 1grg s HIS 374 Cb 0.00 -1.67 0.08 0.00 -0.00 0.00 0.00 32.58 30.99 1grg s HIS 374 CO 0.00 -0.81 1.12 -2.14 -0.00 0.00 0.00 174.74 172.91 1grg s PRO 375 N 1.54 1.88 0.81 8.40 0.02 -1.26 -4.75 135.00 141.65 1grg s PRO 375 Ca 0.04 0.45 -0.11 0.00 0.02 0.00 0.00 61.00 61.40 1grg s PRO 375 Cb -0.18 -1.91 0.08 0.00 0.02 0.00 0.00 34.50 32.51 1grg s PRO 375 CO -0.16 -1.72 1.09 -1.25 -0.33 0.00 0.00 177.00 174.63 1grg s PRO 376 N -5.27 1.97 0.00 5.54 0.04 -1.07 -4.54 135.00 131.66 1grg s PRO 376 Ca 0.61 0.96 0.07 0.00 0.04 0.00 0.00 61.00 62.69 1grg s PRO 376 Cb -0.14 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1grg s PRO 376 CO 0.53 -1.79 -0.22 0.42 0.04 0.00 0.00 177.00 175.99 1grg s ILE 377 N -2.96 2.47 -0.05 0.56 1.01 0.45 -1.77 121.20 120.91 1grg s ILE 377 Ca 0.62 -1.11 0.03 0.00 0.00 0.00 0.00 60.65 60.18 1grg s ILE 377 Cb -0.17 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.36 1grg s ILE 377 CO 0.56 0.47 -0.11 -0.83 0.00 0.00 0.00 174.94 175.03 1grg s GLY 378 N -0.98 0.70 0.01 6.18 0.00 -0.61 -0.27 107.32 112.35 1grg s GLY 378 Ca 0.12 -0.40 -0.01 0.00 0.00 0.00 0.00 44.72 44.43 1grg s GLY 378 CO 0.02 -0.00 0.01 -1.08 0.00 0.00 0.00 173.10 172.04 1grg s THR 379 N 0.43 0.05 -0.12 0.90 -1.32 0.37 -1.64 115.64 114.31 1grg s THR 379 Ca -0.09 -0.45 -0.10 0.00 -1.21 0.00 0.00 61.69 59.84 1grg s THR 379 Cb -0.13 -0.16 0.04 0.00 -1.51 0.00 0.00 72.50 70.73 1grg s THR 379 CO 0.02 -0.25 0.30 0.54 -2.21 0.00 0.00 174.62 173.03 1grg s VAL 380 N -0.74 -0.01 0.00 5.08 0.11 -0.42 -0.63 120.40 123.78 1grg s VAL 380 Ca -0.08 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 1grg s VAL 380 Cb -0.05 -0.44 0.00 0.00 -1.53 0.00 0.00 36.38 34.36 1grg s VAL 380 CO -0.00 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 1grg n GLY 381 N 3.28 -1.65 3.77 6.54 0.00 -1.26 -1.62 105.19 114.25 1grg n GLY 381 Ca -0.16 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 1grg n GLY 381 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1grg s LEU 382 N 0.00 4.42 0.85 0.99 1.43 0.57 -4.86 118.68 122.08 1grg s LEU 382 Ca 0.00 1.92 -0.12 0.00 -1.03 0.00 0.00 54.13 54.90 1grg s LEU 382 Cb 0.00 -3.89 0.10 0.00 0.03 0.00 0.00 46.19 42.43 1grg s LEU 382 CO 0.00 -0.05 1.14 0.42 0.23 0.00 0.00 176.35 178.09 1grg s THR 383 N -1.47 2.24 0.32 5.49 -4.23 -1.26 -4.16 115.64 112.58 1grg s THR 383 Ca 0.48 0.08 0.01 0.00 -1.18 0.00 0.00 61.69 61.08 1grg s THR 383 Cb -0.22 -2.92 0.27 0.00 1.34 0.00 0.00 72.50 70.97 1grg s THR 383 CO 0.28 -0.10 1.96 -0.08 -0.54 0.00 0.00 174.62 176.14 1grg h GLU 384 N -1.25 0.96 -0.46 3.99 4.81 -1.97 -1.49 114.58 119.17 1grg h GLU 384 Ca -0.48 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 58.55 1grg h GLU 384 Cb 1.32 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1grg h GLU 384 CO 0.63 0.64 -0.25 -0.44 -0.73 0.00 0.00 179.01 178.86 1grg h ASP 385 N 0.99 1.01 -0.58 1.04 3.32 -1.99 -0.86 116.42 119.36 1grg h ASP 385 Ca 0.31 -0.40 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 1grg h ASP 385 Cb 0.02 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 1grg h ASP 385 CO -0.09 1.20 0.09 -0.33 -1.72 0.00 0.00 179.24 178.39 1grg h GLU 386 N 0.84 0.99 -0.32 3.56 5.08 -1.79 -1.66 114.58 121.29 1grg h GLU 386 Ca 0.10 -0.25 -0.17 0.00 -1.00 0.00 0.00 59.36 58.04 1grg h GLU 386 Cb 0.83 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1grg h GLU 386 CO 0.07 0.92 -0.47 0.00 -1.00 0.00 0.00 179.01 178.53 1grg h ALA 387 N 1.16 0.56 -0.68 3.43 0.00 -1.07 -1.64 119.26 121.02 1grg h ALA 387 Ca 0.19 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.65 1grg h ALA 387 Cb 0.42 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1grg h ALA 387 CO 0.01 0.68 0.41 0.82 0.00 0.00 0.00 179.25 181.17 1grg h ILE 388 N 0.67 1.05 0.00 0.00 2.04 -0.98 0.19 117.51 120.49 1grg h ILE 388 Ca 0.04 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 1grg h ILE 388 Cb 1.06 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1grg h ILE 388 CO 0.11 0.14 -0.24 -0.74 0.00 0.00 0.00 178.15 177.42 1grg h HIS 389 N 0.78 0.00 0.11 1.37 2.76 -1.19 0.12 115.15 119.10 1grg h HIS 389 Ca 0.28 0.00 -0.35 0.00 -2.20 0.00 0.00 60.37 58.10 1grg h HIS 389 Cb 0.08 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.02 1grg h HIS 389 CO -0.06 0.24 -1.96 1.17 -1.30 0.00 0.00 177.93 176.03 1grg n LYS 390 N -3.47 0.74 -0.01 5.26 4.81 -0.63 -4.59 118.16 120.28 1grg n LYS 390 Ca -0.00 0.27 0.03 0.00 -0.87 0.00 0.00 58.31 57.74 1grg n LYS 390 Cb 0.42 -1.72 -0.07 0.00 0.02 0.00 0.00 35.03 33.67 1grg n LYS 390 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1grg n TYR 391 N -3.42 0.00 0.00 5.64 4.01 0.60 -5.09 117.16 118.91 1grg n TYR 391 Ca -0.30 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.44 1grg n TYR 391 Cb 1.05 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.83 1grg n TYR 391 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1grg n GLY 392 N 2.06 1.91 0.41 2.72 0.00 0.40 -4.42 105.19 108.26 1grg n GLY 392 Ca -0.04 -1.53 0.22 0.00 0.00 0.00 0.00 46.02 44.66 1grg n GLY 392 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1grg h ILE 393 N 0.00 0.60 0.00 -0.61 1.08 -1.90 0.23 117.51 116.91 1grg h ILE 393 Ca 0.00 -0.13 -0.03 0.00 -0.39 0.00 0.00 64.86 64.31 1grg h ILE 393 Cb 0.00 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 33.94 1grg h ILE 393 CO 0.00 0.07 -0.15 1.05 -0.69 0.00 0.00 178.15 178.43 1grg h GLU 394 N 0.37 0.00 -0.69 2.37 4.11 -1.94 -3.15 114.58 115.66 1grg h GLU 394 Ca 0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.96 1grg h GLU 394 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1grg h GLU 394 CO -0.21 0.15 0.00 0.09 0.07 0.00 0.00 179.01 179.11 1grg n ASN 395 N -3.35 4.06 -4.19 3.06 3.02 0.79 -4.92 115.26 113.73 1grg n ASN 395 Ca -0.00 -2.10 -0.31 0.00 -0.03 0.00 0.00 54.58 52.14 1grg n ASN 395 Cb 0.36 -0.49 -0.17 0.00 -0.61 0.00 0.00 39.78 38.87 1grg n ASN 395 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1grg s VAL 396 N -1.19 1.93 -0.04 2.41 1.01 -1.18 -1.04 120.40 122.30 1grg s VAL 396 Ca 0.48 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1grg s VAL 396 Cb 0.26 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1grg s VAL 396 CO 0.30 0.53 -0.12 -0.75 0.00 0.00 0.00 175.10 175.06 1grg s LYS 397 N 0.42 1.34 0.19 2.72 2.47 -0.75 -4.98 119.74 121.14 1grg s LYS 397 Ca -0.18 -0.42 0.11 0.00 -1.56 0.00 0.00 55.97 53.93 1grg s LYS 397 Cb -0.18 -1.19 -0.04 0.00 -1.46 0.00 0.00 37.83 34.96 1grg s LYS 397 CO 0.08 0.14 -0.24 0.95 0.16 0.00 0.00 175.35 176.44 1grg s THR 398 N 0.22 2.30 0.02 3.43 -4.23 -1.26 0.09 115.64 116.21 1grg s THR 398 Ca -0.05 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 58.49 1grg s THR 398 Cb -0.11 -2.10 -0.02 0.00 1.34 0.00 0.00 72.50 71.62 1grg s THR 398 CO 0.01 -0.13 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.50 1grg s TYR 399 N -1.70 1.30 0.15 3.99 2.02 0.42 -4.97 117.35 118.57 1grg s TYR 399 Ca 0.20 -0.31 -0.14 0.00 -0.37 0.00 0.00 57.07 56.46 1grg s TYR 399 Cb -0.08 -0.80 0.02 0.00 -0.40 0.00 0.00 41.96 40.70 1grg s TYR 399 CO 0.10 0.02 0.38 -1.54 -1.57 0.00 0.00 175.55 172.94 1grg s SER 400 N -0.80 -0.13 0.07 2.29 1.04 -1.26 0.36 113.70 115.26 1grg s SER 400 Ca 0.04 -0.54 -0.09 0.00 0.48 0.00 0.00 55.95 55.84 1grg s SER 400 Cb -0.07 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1grg s SER 400 CO 0.01 -0.91 0.19 0.28 0.98 0.00 0.00 173.24 173.79 1grg s THR 401 N -3.87 0.13 -0.10 2.02 -1.32 -0.33 -4.91 115.64 107.26 1grg s THR 401 Ca 0.09 -1.07 -0.05 0.00 -1.21 0.00 0.00 61.69 59.45 1grg s THR 401 Cb 0.02 -1.18 0.05 0.00 -1.51 0.00 0.00 72.50 69.87 1grg s THR 401 CO -0.06 -0.59 0.22 -0.55 -2.21 0.00 0.00 174.62 171.43 1grg s SER 402 N -2.58 -0.12 0.22 8.08 0.15 -1.26 -1.83 113.70 116.36 1grg s SER 402 Ca 0.01 0.48 -0.19 0.00 0.70 0.00 0.00 55.95 56.95 1grg s SER 402 Cb 0.03 0.39 0.03 0.00 -1.71 0.00 0.00 66.02 64.76 1grg s SER 402 CO -0.08 -0.17 0.59 0.72 1.20 0.00 0.00 173.24 175.49 1grg s PHE 403 N 1.42 -0.16 -0.31 3.44 -0.71 -0.57 -4.99 117.98 116.10 1grg s PHE 403 Ca -0.08 -0.20 -0.14 0.00 -1.04 0.00 0.00 56.93 55.47 1grg s PHE 403 Cb -0.11 0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 42.16 1grg s PHE 403 CO -0.08 -1.01 0.30 0.99 -1.34 0.00 0.00 175.22 174.08 1grg s THR 404 N -3.88 5.23 0.46 -4.49 2.01 -1.26 -0.39 115.64 113.31 1grg s THR 404 Ca 0.10 0.15 -0.25 0.00 0.31 0.00 0.00 61.69 62.00 1grg s THR 404 Cb -0.02 -3.70 -0.08 0.00 0.01 0.00 0.00 72.50 68.70 1grg s THR 404 CO -0.00 0.06 1.32 -2.65 -0.69 0.00 0.00 174.62 172.66 1grg n PRO 405 N 5.24 1.95 -0.17 4.92 -0.02 -1.26 -4.84 135.00 140.81 1grg n PRO 405 Ca -0.11 0.70 0.29 0.00 -2.02 0.00 0.00 63.50 62.36 1grg n PRO 405 Cb 0.50 -2.48 0.72 0.00 -0.02 0.00 0.00 33.50 32.22 1grg n PRO 405 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1grg h MET 406 N 1.98 0.00 -0.66 -0.52 1.85 -1.97 -0.06 114.93 115.54 1grg h MET 406 Ca -0.49 0.00 0.16 0.00 -0.61 0.00 0.00 59.70 58.75 1grg h MET 406 Cb 1.29 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 33.28 1grg h MET 406 CO 0.59 0.00 0.46 -0.92 -0.40 0.00 0.00 176.91 176.64 1grg h TYR 407 N 0.00 0.25 -0.56 1.39 3.20 -2.01 -1.12 116.97 118.12 1grg h TYR 407 Ca 0.43 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.30 1grg h TYR 407 Cb 1.86 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 40.05 1grg h TYR 407 CO 0.00 0.10 0.00 0.72 -1.64 0.00 0.00 178.16 177.34 1grg n HIS 408 N -4.42 0.74 0.29 -3.82 8.25 -0.04 -4.25 115.22 111.96 1grg n HIS 408 Ca 0.13 -0.37 0.14 0.00 -0.26 0.00 0.00 57.72 57.36 1grg n HIS 408 Cb 0.58 0.00 0.87 0.00 1.12 0.00 0.00 29.99 32.56 1grg n HIS 408 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1grg h ALA 409 N 4.11 1.53 -0.02 -1.41 0.00 -1.32 -2.67 119.26 119.48 1grg h ALA 409 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1grg h ALA 409 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1grg h ALA 409 CO 0.00 0.02 0.00 1.33 0.00 0.00 0.00 179.25 180.60 1grg n VAL 410 N -3.88 1.33 -4.26 0.00 0.24 -1.26 -5.04 118.33 105.46 1grg n VAL 410 Ca -0.03 -1.45 -0.27 0.00 -2.04 0.00 0.00 64.34 60.55 1grg n VAL 410 Cb 0.10 0.23 -0.09 0.00 -1.47 0.00 0.00 33.84 32.62 1grg n VAL 410 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1grg s THR 411 N -1.68 3.37 0.04 3.34 -4.23 -1.01 -4.74 115.64 110.74 1grg s THR 411 Ca 0.13 -1.58 0.07 0.00 -1.18 0.00 0.00 61.69 59.13 1grg s THR 411 Cb 0.11 -2.68 -0.23 0.00 1.34 0.00 0.00 72.50 71.04 1grg s THR 411 CO 0.02 -0.11 0.99 0.11 -0.54 0.00 0.00 174.62 175.09 1grg h LYS 412 N 2.83 0.04 -6.76 3.99 1.57 -1.96 -3.44 116.57 112.84 1grg h LYS 412 Ca -0.47 -0.08 -0.49 0.00 -1.87 0.00 0.00 60.65 57.75 1grg h LYS 412 Cb 1.20 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 1grg h LYS 412 CO 0.56 0.84 0.36 0.50 -0.57 0.00 0.00 179.45 181.14 1grg s ARG 413 N -2.65 4.83 0.05 3.15 3.52 -1.26 -5.06 118.95 121.52 1grg s ARG 413 Ca -0.03 1.50 0.03 0.00 -0.13 0.00 0.00 55.73 57.10 1grg s ARG 413 Cb 0.09 -3.25 -0.03 0.00 -1.56 0.00 0.00 34.95 30.21 1grg s ARG 413 CO 0.83 0.49 -0.10 0.15 -0.81 0.00 0.00 175.30 175.86 1grg s LYS 414 N -1.25 0.61 0.07 5.12 -0.14 -1.26 -4.91 119.74 117.98 1grg s LYS 414 Ca 0.42 -0.81 0.01 0.00 -1.36 0.00 0.00 55.97 54.22 1grg s LYS 414 Cb -0.26 -0.45 -0.04 0.00 -1.68 0.00 0.00 37.83 35.41 1grg s LYS 414 CO 0.32 0.09 -0.05 0.95 -0.76 0.00 0.00 175.35 175.90 1grg s THR 415 N -1.34 0.46 0.31 2.17 -4.23 -1.26 -5.07 115.64 106.69 1grg s THR 415 Ca -0.08 -1.69 0.08 0.00 -1.18 0.00 0.00 61.69 58.83 1grg s THR 415 Cb -0.10 -1.35 -0.04 0.00 1.34 0.00 0.00 72.50 72.35 1grg s THR 415 CO 0.01 -0.82 0.12 -0.75 -0.54 0.00 0.00 174.62 172.64 1grg s LYS 416 N -3.34 2.42 -0.13 3.99 2.20 -1.26 -4.31 119.74 119.31 1grg s LYS 416 Ca 0.05 -1.45 0.02 0.00 -0.36 0.00 0.00 55.97 54.22 1grg s LYS 416 Cb 0.03 -2.22 0.01 0.00 -1.51 0.00 0.00 37.83 34.14 1grg s LYS 416 CO -0.05 0.20 -0.19 0.00 -0.36 0.00 0.00 175.35 174.95 1grg s VAL 418 N 0.90 1.81 0.03 0.00 -7.23 -0.37 -1.52 120.40 114.02 1grg s VAL 418 Ca -0.07 -0.95 0.03 0.00 -1.81 0.00 0.00 61.98 59.19 1grg s VAL 418 Cb -0.15 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 1grg s VAL 418 CO -0.02 0.51 -0.10 -0.04 -0.31 0.00 0.00 175.10 175.14 1grg s MET 419 N -0.24 0.72 -0.05 4.82 -1.94 -0.76 -0.88 119.30 120.97 1grg s MET 419 Ca 0.01 -0.62 -0.03 0.00 -1.71 0.00 0.00 55.69 53.33 1grg s MET 419 Cb -0.11 -0.65 0.03 0.00 2.01 0.00 0.00 34.83 36.10 1grg s MET 419 CO 0.02 0.16 0.12 0.21 -0.01 0.00 0.00 175.02 175.52 1grg s LYS 420 N -1.01 0.09 -0.17 2.03 2.20 0.66 -1.19 119.74 122.35 1grg s LYS 420 Ca -0.01 0.28 -0.01 0.00 -0.36 0.00 0.00 55.97 55.86 1grg s LYS 420 Cb -0.07 -0.11 -0.01 0.00 -1.51 0.00 0.00 37.83 36.14 1grg s LYS 420 CO 0.01 -0.12 -0.12 1.41 -0.36 0.00 0.00 175.35 176.18 1grg s MET 421 N 0.79 3.30 -0.33 4.03 -2.45 0.16 -1.36 119.30 123.44 1grg s MET 421 Ca -0.06 -0.70 -0.12 0.00 -1.25 0.00 0.00 55.69 53.56 1grg s MET 421 Cb -0.08 -2.75 -0.02 0.00 1.25 0.00 0.00 34.83 33.24 1grg s MET 421 CO -0.04 -0.01 0.22 0.08 1.05 0.00 0.00 175.02 176.32 1grg s VAL 422 N 0.92 5.14 0.12 10.11 1.01 0.15 -0.43 120.40 137.43 1grg s VAL 422 Ca -0.02 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.78 1grg s VAL 422 Cb -0.15 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1grg s VAL 422 CO -0.01 0.03 0.06 0.00 0.00 0.00 0.00 175.10 175.18 1grg s ALA 424 N -1.52 1.32 0.28 0.00 0.00 -0.44 -1.81 121.76 119.58 1grg s ALA 424 Ca 0.28 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1grg s ALA 424 Cb -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1grg s ALA 424 CO 0.21 0.22 0.00 0.09 0.00 0.00 0.00 175.76 176.27 1grg n ASN 425 N 1.32 -6.63 0.13 0.00 5.03 -0.21 -1.37 115.26 113.53 1grg n ASN 425 Ca -0.20 0.51 0.01 0.00 0.87 0.00 0.00 54.58 55.77 1grg n ASN 425 Cb 0.54 -3.42 0.33 0.00 -1.02 0.00 0.00 39.78 36.21 1grg n ASN 425 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 1grg h LYS 426 N -1.04 0.16 0.00 3.52 3.64 -1.99 -2.10 116.57 118.76 1grg h LYS 426 Ca 0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1grg h LYS 426 Cb 1.02 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1grg h LYS 426 CO 0.01 0.44 -0.01 1.05 -2.27 0.00 0.00 179.45 178.68 1grg h GLU 427 N 0.14 0.00 -5.42 1.90 9.09 -2.01 -3.47 114.58 114.82 1grg h GLU 427 Ca 0.02 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 59.16 1grg h GLU 427 Cb 0.60 0.00 0.18 0.00 -1.65 0.00 0.00 28.75 27.88 1grg h GLU 427 CO 0.04 0.01 -0.79 0.39 0.05 0.00 0.00 179.01 178.71 1grg n GLU 428 N -3.10 -3.84 -2.03 1.06 1.02 -0.79 -4.34 120.64 108.62 1grg n GLU 428 Ca 0.02 0.83 -0.41 0.00 -0.02 0.00 0.00 57.16 57.57 1grg n GLU 428 Cb 0.37 -5.70 -0.02 0.00 -0.02 0.00 0.00 31.44 26.07 1grg n GLU 428 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1grg s LYS 429 N -4.72 4.28 -0.51 3.49 2.20 -0.47 -1.05 119.74 122.96 1grg s LYS 429 Ca 0.27 2.30 -0.28 0.00 -0.36 0.00 0.00 55.97 57.90 1grg s LYS 429 Cb -0.03 -3.07 0.03 0.00 -1.51 0.00 0.00 37.83 33.24 1grg s LYS 429 CO 0.71 -0.33 1.09 0.08 -0.36 0.00 0.00 175.35 176.53 1grg s VAL 430 N -0.68 4.23 -0.90 4.02 1.01 0.17 -1.33 120.40 126.93 1grg s VAL 430 Ca 0.54 0.95 0.13 0.00 0.00 0.00 0.00 61.98 63.59 1grg s VAL 430 Cb -0.42 -4.59 -0.07 0.00 0.00 0.00 0.00 36.38 31.30 1grg s VAL 430 CO 0.51 -1.07 0.64 1.33 0.00 0.00 0.00 175.10 176.50 1grg n VAL 431 N 6.66 0.00 -3.65 2.92 0.24 0.08 -4.76 118.33 119.81 1grg n VAL 431 Ca 0.09 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.34 61.97 1grg n VAL 431 Cb 0.49 1.08 -0.08 0.00 -1.47 0.00 0.00 33.84 33.86 1grg n VAL 431 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1grg s GLY 432 N -1.90 -0.50 -0.06 7.63 0.00 -1.04 -0.32 107.32 111.15 1grg s GLY 432 Ca 0.08 1.87 0.01 0.00 0.00 0.00 0.00 44.72 46.68 1grg s GLY 432 CO 0.42 1.63 -0.07 -0.42 0.00 0.00 0.00 173.10 174.66 1grg s ILE 433 N 0.41 0.76 -0.02 0.90 1.01 -0.64 -0.67 121.20 122.95 1grg s ILE 433 Ca -0.01 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.41 1grg s ILE 433 Cb -0.05 -0.75 0.02 0.00 0.01 0.00 0.00 42.46 41.69 1grg s ILE 433 CO -0.00 0.28 -0.01 -1.00 0.00 0.00 0.00 174.94 174.21 1grg s HIS 434 N 0.94 0.31 0.10 3.97 3.76 -0.46 -1.31 115.29 122.60 1grg s HIS 434 Ca -0.10 -0.01 -0.20 0.00 -0.15 0.00 0.00 55.06 54.59 1grg s HIS 434 Cb -0.15 -0.37 0.05 0.00 1.11 0.00 0.00 32.58 33.22 1grg s HIS 434 CO 0.00 -0.11 0.50 0.00 -0.85 0.00 0.00 174.74 174.28 1grg s MET 435 N 0.81 1.10 -0.06 1.40 0.23 -0.65 -0.24 119.30 121.88 1grg s MET 435 Ca -0.08 -0.46 -0.04 0.00 -1.03 0.00 0.00 55.69 54.08 1grg s MET 435 Cb -0.11 0.50 0.03 0.00 -1.53 0.00 0.00 34.83 33.71 1grg s MET 435 CO -0.01 -0.43 0.15 -1.14 -2.03 0.00 0.00 175.02 171.56 1grg s GLN 436 N -3.22 0.13 0.00 3.16 0.74 -0.05 -1.57 119.66 118.84 1grg s GLN 436 Ca -0.01 0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.72 1grg s GLN 436 Cb 0.00 -0.07 0.00 0.00 1.10 0.00 0.00 33.01 34.04 1grg s GLN 436 CO -0.08 -0.11 0.00 0.41 -0.55 0.00 0.00 175.29 174.96 1grg n GLY 437 N 3.74 2.79 3.67 2.59 0.00 -0.73 -1.24 105.19 116.02 1grg n GLY 437 Ca -0.21 -0.99 -0.46 0.00 0.00 0.00 0.00 46.02 44.36 1grg n GLY 437 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1grg n LEU 438 N 0.00 3.18 0.00 0.99 4.77 -1.26 -1.76 117.00 122.92 1grg n LEU 438 Ca 0.00 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.06 1grg n LEU 438 Cb 0.00 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 39.65 1grg n LEU 438 CO 0.00 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.43 1grg n GLY 439 N 3.47 1.79 0.30 -0.72 0.00 -1.26 -4.91 105.19 103.86 1grg n GLY 439 Ca 0.17 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.38 1grg n GLY 439 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grg h ASP 441 N 0.00 0.66 0.14 0.00 2.03 -1.85 -3.16 116.42 114.23 1grg h ASP 441 Ca 0.00 -0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.17 1grg h ASP 441 Cb 0.27 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 1grg h ASP 441 CO 0.00 0.69 -0.80 -0.62 -1.03 0.00 0.00 179.24 177.48 1grg n GLU 442 N -4.26 0.13 0.03 4.15 -0.58 -1.03 -4.34 120.64 114.74 1grg n GLU 442 Ca 0.03 -0.10 -0.06 0.00 -0.42 0.00 0.00 57.16 56.61 1grg n GLU 442 Cb 0.25 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.51 1grg n GLU 442 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 1grg h MET 443 N 0.24 0.00 -0.47 3.49 4.05 -1.44 -3.39 114.93 117.41 1grg h MET 443 Ca 0.00 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.35 1grg h MET 443 Cb 0.52 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.30 1grg h MET 443 CO 0.00 0.68 0.02 1.25 0.23 0.00 0.00 176.91 179.09 1grg h LEU 444 N 0.00 0.80 -0.68 3.39 5.85 -1.75 -3.36 115.31 119.56 1grg h LEU 444 Ca -0.13 -0.30 0.13 0.00 0.84 0.00 0.00 57.88 58.42 1grg h LEU 444 Cb 1.80 -0.21 -0.13 0.00 0.37 0.00 0.00 40.66 42.49 1grg h LEU 444 CO 0.09 0.90 -0.24 -0.61 -0.34 0.00 0.00 178.44 178.24 1grg h GLN 445 N 0.67 -0.06 -0.07 1.25 5.75 -1.85 -1.04 115.11 119.77 1grg h GLN 445 Ca 0.14 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.49 1grg h GLN 445 Cb 0.48 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 1grg h GLN 445 CO 0.02 -0.04 -0.62 0.78 -2.65 0.00 0.00 178.83 176.32 1grg h GLY 446 N -0.06 0.26 2.00 2.39 0.00 -1.88 -2.26 103.07 103.53 1grg h GLY 446 Ca 0.30 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 1grg h GLY 446 CO -0.72 0.30 -0.28 0.74 0.00 0.00 0.00 176.54 176.57 1grg h PHE 447 N 0.18 0.00 -0.35 5.60 0.04 -1.55 -1.95 116.94 118.91 1grg h PHE 447 Ca -0.01 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 1grg h PHE 447 Cb 1.14 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.27 1grg h PHE 447 CO 0.02 0.28 -0.08 0.00 -0.60 0.00 0.00 178.31 177.93 1grg h ALA 448 N 1.72 1.21 -0.24 2.45 0.00 -0.65 0.16 119.26 123.91 1grg h ALA 448 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1grg h ALA 448 Cb 0.53 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1grg h ALA 448 CO 0.04 0.51 0.06 0.28 0.00 0.00 0.00 179.25 180.14 1grg h VAL 449 N 0.54 1.21 -0.69 0.00 2.07 -0.92 -1.52 116.25 116.95 1grg h VAL 449 Ca 0.10 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1grg h VAL 449 Cb 0.47 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1grg h VAL 449 CO 0.03 0.22 0.41 0.00 0.02 0.00 0.00 177.57 178.24 1grg h ALA 450 N 0.88 0.88 -0.35 1.67 0.00 -0.79 -1.63 119.26 119.92 1grg h ALA 450 Ca 0.07 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1grg h ALA 450 Cb 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1grg h ALA 450 CO 0.00 0.37 -0.02 0.28 0.00 0.00 0.00 179.25 179.88 1grg h VAL 451 N 0.94 1.26 -0.76 0.00 2.07 -0.62 -2.14 116.25 117.00 1grg h VAL 451 Ca 0.25 -1.01 0.08 0.00 0.82 0.00 0.00 66.70 66.84 1grg h VAL 451 Cb -0.01 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1grg h VAL 451 CO -0.04 0.33 0.50 0.50 0.02 0.00 0.00 177.57 178.88 1grg h LYS 452 N 0.43 0.72 0.00 1.57 1.63 -0.92 -1.04 116.57 118.95 1grg h LYS 452 Ca 0.10 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1grg h LYS 452 Cb 0.48 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1grg h LYS 452 CO 0.02 0.47 0.00 -1.33 -3.45 0.00 0.00 179.45 175.16 1grg n MET 453 N -4.49 0.19 -1.94 1.90 2.81 -0.64 -4.91 117.12 110.04 1grg n MET 453 Ca 0.12 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 1grg n MET 453 Cb 0.28 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 1grg n MET 453 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1grg n GLY 454 N 1.07 0.83 3.77 3.03 0.00 -0.40 -5.03 105.19 108.47 1grg n GLY 454 Ca 0.09 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 1grg n GLY 454 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grg s ALA 455 N -2.77 2.52 0.52 4.61 0.00 -0.84 -4.82 121.76 120.98 1grg s ALA 455 Ca 0.00 0.60 0.06 0.00 0.00 0.00 0.00 51.96 52.63 1grg s ALA 455 Cb 0.00 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.82 1grg s ALA 455 CO 0.00 -1.16 0.42 0.95 0.00 0.00 0.00 175.76 175.97 1grg s THR 456 N -2.22 1.91 0.37 0.00 -4.23 -1.26 -0.66 115.64 109.55 1grg s THR 456 Ca 0.68 -1.44 0.10 0.00 -1.18 0.00 0.00 61.69 59.85 1grg s THR 456 Cb -0.21 -2.34 0.12 0.00 1.34 0.00 0.00 72.50 71.41 1grg s THR 456 CO 0.38 0.00 1.86 0.50 -0.54 0.00 0.00 174.62 176.82 1grg h LYS 457 N 0.79 0.18 -0.32 3.99 1.63 -1.29 -1.99 116.57 119.56 1grg h LYS 457 Ca -0.37 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.33 1grg h LYS 457 Cb 1.29 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.89 1grg h LYS 457 CO 0.57 0.41 0.01 0.00 -3.45 0.00 0.00 179.45 176.99 1grg h ALA 458 N 1.60 1.42 -0.57 5.00 0.00 -1.85 0.20 119.26 125.06 1grg h ALA 458 Ca 0.03 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1grg h ALA 458 Cb 0.51 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1grg h ALA 458 CO 0.04 0.41 0.18 -0.44 0.00 0.00 0.00 179.25 179.44 1grg h ASP 459 N 0.47 0.83 0.22 0.00 3.32 -1.75 0.33 116.42 119.85 1grg h ASP 459 Ca 0.10 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1grg h ASP 459 Cb 0.29 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1grg h ASP 459 CO 0.01 0.82 -0.11 -0.26 -1.72 0.00 0.00 179.24 177.98 1grg h PHE 460 N 0.81 -0.28 -0.07 4.55 -1.00 -1.25 -3.12 116.94 116.57 1grg h PHE 460 Ca 0.19 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.98 1grg h PHE 460 Cb 0.28 0.09 -0.00 0.00 3.61 0.00 0.00 35.95 39.93 1grg h PHE 460 CO 0.02 -0.01 0.06 -0.44 -1.61 0.00 0.00 178.31 176.33 1grg h ASP 461 N -0.53 0.00 -0.15 2.17 3.32 -0.39 -1.44 116.42 119.40 1grg h ASP 461 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1grg h ASP 461 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1grg h ASP 461 CO 0.05 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.16 1grg n ASN 462 N -4.36 1.15 -4.65 6.45 3.02 0.12 -4.77 115.26 112.22 1grg n ASN 462 Ca -0.01 -1.73 -0.37 0.00 -0.03 0.00 0.00 54.58 52.43 1grg n ASN 462 Cb 0.16 -0.10 -0.09 0.00 -0.61 0.00 0.00 39.78 39.14 1grg n ASN 462 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1grg s THR 463 N -1.81 5.32 0.26 3.41 2.01 -0.54 -5.05 115.64 119.25 1grg s THR 463 Ca 0.26 0.27 -0.30 0.00 0.31 0.00 0.00 61.69 62.23 1grg s THR 463 Cb 0.13 -3.54 -0.10 0.00 0.01 0.00 0.00 72.50 69.00 1grg s THR 463 CO 0.20 0.31 1.46 -0.69 -0.69 0.00 0.00 174.62 175.21 1grg s VAL 464 N 1.26 2.54 0.67 3.82 1.01 -1.26 -4.97 120.40 123.47 1grg s VAL 464 Ca 0.09 0.46 -0.14 0.00 0.00 0.00 0.00 61.98 62.40 1grg s VAL 464 Cb -0.14 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1grg s VAL 464 CO 0.06 0.08 1.08 0.00 0.00 0.00 0.00 175.10 176.32 1grg s ALA 465 N -0.08 2.53 -0.30 5.51 0.00 -1.26 -5.05 121.76 123.11 1grg s ALA 465 Ca 0.59 0.38 -0.07 0.00 0.00 0.00 0.00 51.96 52.86 1grg s ALA 465 Cb -0.43 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.44 1grg s ALA 465 CO 0.45 -1.24 0.09 0.42 0.00 0.00 0.00 175.76 175.48 1grg s ILE 466 N -2.59 4.03 -0.04 0.00 1.01 -1.26 -5.09 121.20 117.26 1grg s ILE 466 Ca 0.63 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 60.68 1grg s ILE 466 Cb -0.18 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 1grg s ILE 466 CO 0.45 0.08 -0.21 -2.28 0.00 0.00 0.00 174.94 172.98 1grg s HIS 467 N 1.51 2.49 -0.22 3.97 2.46 -1.26 -3.38 115.29 120.86 1grg s HIS 467 Ca 0.03 -0.35 -0.12 0.00 0.47 0.00 0.00 55.06 55.08 1grg s HIS 467 Cb -0.17 -1.56 -0.05 0.00 -0.13 0.00 0.00 32.58 30.67 1grg s HIS 467 CO 0.03 0.04 0.24 -1.25 -2.47 0.00 0.00 174.74 171.33 1grg s PRO 468 N -0.61 4.12 0.25 2.88 0.05 -1.26 -5.18 135.00 135.24 1grg s PRO 468 Ca 0.09 -0.10 -0.03 0.00 0.05 0.00 0.00 61.00 61.02 1grg s PRO 468 Cb -0.11 -3.53 -0.02 0.00 0.05 0.00 0.00 34.50 30.89 1grg s PRO 468 CO -0.00 0.04 0.28 0.95 0.05 0.00 0.00 177.00 178.32 1grg s THR 469 N 1.09 0.00 0.01 1.26 -4.23 -1.22 -5.04 115.64 107.51 1grg s THR 469 Ca 0.12 -1.81 -0.12 0.00 -1.18 0.00 0.00 61.69 58.69 1grg s THR 469 Cb -0.14 -2.45 -0.33 0.00 1.34 0.00 0.00 72.50 70.92 1grg s THR 469 CO 0.05 0.00 0.92 0.28 -0.54 0.00 0.00 174.62 175.34 1grg h SER 470 N 2.40 0.72 -0.58 3.99 0.02 -1.92 -3.36 113.55 114.81 1grg h SER 470 Ca -0.31 -0.84 0.15 0.00 -0.84 0.00 0.00 61.79 59.95 1grg h SER 470 Cb 1.25 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.53 1grg h SER 470 CO 0.45 1.67 0.41 0.77 -1.14 0.00 0.00 176.83 178.99 1grg h SER 471 N 0.12 0.09 0.31 3.07 4.64 -1.94 -1.33 113.55 118.52 1grg h SER 471 Ca -0.27 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1grg h SER 471 Cb 2.12 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 64.20 1grg h SER 471 CO 0.24 0.05 -0.01 1.05 -0.87 0.00 0.00 176.83 177.28 1grg h GLU 472 N 0.10 0.00 -0.02 4.77 4.11 -1.75 -2.52 114.58 119.27 1grg h GLU 472 Ca 0.28 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.67 1grg h GLU 472 Cb 0.97 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1grg h GLU 472 CO -0.03 0.01 -0.19 0.93 0.07 0.00 0.00 179.01 179.81 1grg h GLU 473 N 0.00 0.03 0.00 1.06 4.39 -1.49 -2.38 114.58 116.18 1grg h GLU 473 Ca -0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1grg h GLU 473 Cb 0.17 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1grg h GLU 473 CO 0.00 0.21 0.00 -0.07 -1.16 0.00 0.00 179.01 178.00 1grg h LEU 474 N 0.03 0.00 -2.07 1.33 3.38 -1.65 -2.78 115.31 113.54 1grg h LEU 474 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1grg h LEU 474 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1grg h LEU 474 CO 0.02 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.88 1grg n VAL 475 N -3.03 0.22 -1.96 1.22 0.24 -0.91 -4.43 118.33 109.67 1grg n VAL 475 Ca 0.02 -0.61 0.05 0.00 -2.04 0.00 0.00 64.34 61.76 1grg n VAL 475 Cb 0.39 1.26 0.13 0.00 -1.47 0.00 0.00 33.84 34.15 1grg n VAL 475 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1grg n THR 476 N 1.33 1.32 -2.64 3.34 -2.24 -1.05 -4.34 114.28 110.00 1grg n THR 476 Ca 0.15 -2.35 -0.40 0.00 -2.27 0.00 0.00 64.05 59.19 1grg n THR 476 Cb 0.57 0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 69.01 1grg n THR 476 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1grg s LEU 477 N -1.94 4.57 0.00 3.22 1.43 -1.20 -5.00 118.68 119.76 1grg s LEU 477 Ca 0.36 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 1grg s LEU 477 Cb 0.38 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.93 1grg s LEU 477 CO -0.11 0.00 0.00 0.54 0.23 0.00 0.00 176.35 177.01