#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h8i s LYS 3 N 0.00 3.31 -0.21 -2.82 2.20 -1.26 0.05 119.74 121.00 3h8i s LYS 3 Ca 0.00 -0.68 -0.03 0.00 -0.36 0.00 0.00 55.97 54.91 3h8i s LYS 3 Cb 0.00 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 3h8i s LYS 3 CO 0.00 -0.25 -0.08 0.08 -0.36 0.00 0.00 175.35 174.74 3h8i s VAL 4 N 1.48 3.03 -0.12 4.02 1.01 0.60 -1.14 120.40 129.27 3h8i s VAL 4 Ca 0.05 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 3h8i s VAL 4 Cb -0.15 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 3h8i s VAL 4 CO -0.02 0.43 0.26 -0.76 0.00 0.00 0.00 175.10 175.02 3h8i s LEU 5 N 1.43 4.33 -0.23 3.92 1.43 -0.37 -1.50 118.68 127.68 3h8i s LEU 5 Ca 0.05 0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.73 3h8i s LEU 5 Cb -0.14 -2.32 0.03 0.00 0.03 0.00 0.00 46.19 43.79 3h8i s LEU 5 CO -0.06 0.23 -0.12 -0.69 0.23 0.00 0.00 176.35 175.94 3h8i s VAL 6 N -0.24 2.40 -0.22 -1.59 1.01 0.65 -0.47 120.40 121.93 3h8i s VAL 6 Ca 0.17 -1.15 -0.14 0.00 0.00 0.00 0.00 61.98 60.86 3h8i s VAL 6 Cb -0.13 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3h8i s VAL 6 CO 0.05 0.27 0.34 -0.76 0.00 0.00 0.00 175.10 175.00 3h8i s LEU 7 N 1.26 4.12 0.00 3.92 1.43 -0.30 -1.04 118.68 128.07 3h8i s LEU 7 Ca -0.00 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 3h8i s LEU 7 Cb -0.16 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.65 3h8i s LEU 7 CO -0.08 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.05 3h8i n GLY 8 N 4.16 2.11 1.54 -3.19 0.00 -0.21 -0.56 105.19 109.04 3h8i n GLY 8 Ca -0.10 -2.08 0.04 0.00 0.00 0.00 0.00 46.02 43.87 3h8i n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8i n GLY 9 N 0.19 1.02 0.00 -0.02 0.00 -1.26 -4.62 105.19 100.50 3h8i n GLY 9 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3h8i n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h8i n ARG 10 N 0.46 2.37 -0.02 1.61 1.74 -1.26 -4.76 116.66 116.80 3h8i n ARG 10 Ca 0.06 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.03 3h8i n ARG 10 Cb 1.13 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 32.53 3h8i n ARG 10 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 3h8i h PHE 11 N 0.00 -1.03 0.01 -1.55 -1.00 -1.93 -0.86 116.94 110.58 3h8i h PHE 11 Ca 0.00 0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.83 3h8i h PHE 11 Cb 0.00 0.48 0.00 0.00 3.61 0.00 0.00 35.95 40.04 3h8i h PHE 11 CO 0.00 -0.43 -0.00 0.78 -1.61 0.00 0.00 178.31 177.05 3h8i h GLY 12 N -0.41 -0.01 0.88 -1.45 0.00 -1.88 -2.63 103.07 97.57 3h8i h GLY 12 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 3h8i h GLY 12 CO -0.40 -0.00 -0.42 0.00 0.00 0.00 0.00 176.54 175.71 3h8i h ALA 13 N 0.59 -1.31 -0.78 3.60 0.00 -1.76 -2.12 119.26 117.48 3h8i h ALA 13 Ca -0.00 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.72 3h8i h ALA 13 Cb 0.39 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 3h8i h ALA 13 CO 0.00 -1.23 0.46 -0.07 0.00 0.00 0.00 179.25 178.41 3h8i h LEU 14 N -1.19 0.69 -0.28 0.00 4.07 -1.30 0.11 115.31 117.41 3h8i h LEU 14 Ca -0.12 0.03 0.01 0.00 0.08 0.00 0.00 57.88 57.88 3h8i h LEU 14 Cb 0.91 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.52 3h8i h LEU 14 CO 0.20 0.43 0.17 0.74 -1.08 0.00 0.00 178.44 178.90 3h8i h THR 15 N 0.82 1.03 -0.23 0.22 2.02 -1.47 -1.06 112.91 114.25 3h8i h THR 15 Ca 0.35 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.38 3h8i h THR 15 Cb 0.23 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3h8i h THR 15 CO -0.20 0.06 0.00 0.00 0.37 0.00 0.00 175.52 175.76 3h8i h ALA 16 N 1.12 0.31 0.88 6.16 0.00 -0.70 -0.73 119.26 126.31 3h8i h ALA 16 Ca 0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3h8i h ALA 16 Cb -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3h8i h ALA 16 CO -0.05 0.04 -0.46 0.00 0.00 0.00 0.00 179.25 178.77 3h8i h ALA 17 N 0.81 -1.25 -0.51 0.00 0.00 -0.66 0.77 119.26 118.42 3h8i h ALA 17 Ca 0.07 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3h8i h ALA 17 Cb 0.40 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3h8i h ALA 17 CO 0.01 -1.21 0.27 1.88 0.00 0.00 0.00 179.25 180.21 3h8i h TYR 18 N -1.23 0.51 -0.70 0.00 -1.99 -1.26 0.38 116.97 112.67 3h8i h TYR 18 Ca -0.12 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.59 3h8i h TYR 18 Cb 0.96 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 39.51 3h8i h TYR 18 CO -0.04 0.26 0.28 1.15 -0.00 0.00 0.00 178.16 179.80 3h8i h THR 19 N 0.54 1.25 0.22 -2.88 2.02 -1.09 -1.59 112.91 111.37 3h8i h THR 19 Ca 0.22 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 3h8i h THR 19 Cb 0.10 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3h8i h THR 19 CO -0.14 0.31 -0.11 0.25 0.37 0.00 0.00 175.52 176.21 3h8i h LEU 20 N 1.00 -0.25 -0.47 2.58 5.85 -0.27 -2.17 115.31 121.58 3h8i h LEU 20 Ca 0.23 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3h8i h LEU 20 Cb 0.22 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3h8i h LEU 20 CO -0.02 0.03 0.24 0.50 -0.34 0.00 0.00 178.44 178.85 3h8i h LYS 21 N -0.54 0.46 -0.10 1.25 1.63 -0.90 -0.34 116.57 118.04 3h8i h LYS 21 Ca -0.03 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 3h8i h LYS 21 Cb 0.40 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 3h8i h LYS 21 CO 0.05 0.30 -0.04 -0.09 -3.45 0.00 0.00 179.45 176.23 3h8i h ARG 22 N 0.47 0.13 0.15 1.90 2.43 -1.32 0.24 114.38 118.40 3h8i h ARG 22 Ca 0.20 -0.02 -0.30 0.00 -0.81 0.00 0.00 59.98 59.06 3h8i h ARG 22 Cb 0.11 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3h8i h ARG 22 CO -0.14 0.19 -1.37 -0.07 -1.51 0.00 0.00 179.97 177.06 3h8i h LEU 23 N 0.13 0.50 0.00 3.80 3.38 -0.61 -3.39 115.31 119.13 3h8i h LEU 23 Ca 0.03 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3h8i h LEU 23 Cb 0.16 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3h8i h LEU 23 CO 0.01 1.46 -0.74 1.33 0.09 0.00 0.00 178.44 180.59 3h8i n VAL 24 N -3.55 0.00 0.00 1.22 0.24 -0.23 -4.98 118.33 111.03 3h8i n VAL 24 Ca -0.12 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 3h8i n VAL 24 Cb 1.05 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 34.16 3h8i n VAL 24 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h8i n GLY 25 N 1.52 2.42 0.06 7.63 0.00 0.85 -0.66 105.19 117.01 3h8i n GLY 25 Ca 0.00 0.37 0.13 0.00 0.00 0.00 0.00 46.02 46.53 3h8i n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h8i n SER 26 N 7.25 0.50 0.00 1.61 3.41 -1.26 -3.74 113.62 121.40 3h8i n SER 26 Ca 0.00 0.50 0.01 0.00 -0.26 0.00 0.00 58.87 59.12 3h8i n SER 26 Cb 0.00 -0.61 0.08 0.00 -0.26 0.00 0.00 64.21 63.42 3h8i n SER 26 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h8i n LYS 27 N -1.96 0.08 -3.55 4.33 5.02 0.17 -4.69 118.16 117.56 3h8i n LYS 27 Ca 0.06 0.04 -0.11 0.00 -2.02 0.00 0.00 58.31 56.28 3h8i n LYS 27 Cb 0.40 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.86 3h8i n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h8i s ALA 28 N -2.08 -1.88 -0.33 7.82 0.00 -1.24 -4.54 121.76 119.52 3h8i s ALA 28 Ca 0.04 1.38 -0.12 0.00 0.00 0.00 0.00 51.96 53.26 3h8i s ALA 28 Cb 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 3h8i s ALA 28 CO 0.03 -0.43 0.21 -0.51 0.00 0.00 0.00 175.76 175.06 3h8i s ASP 29 N -1.54 5.92 -0.25 0.00 1.01 0.11 -4.87 116.67 117.05 3h8i s ASP 29 Ca -0.01 -0.42 -0.08 0.00 0.71 0.00 0.00 52.55 52.75 3h8i s ASP 29 Cb -0.01 -2.10 -0.04 0.00 1.01 0.00 0.00 42.92 41.79 3h8i s ASP 29 CO -0.01 -0.21 0.11 -0.69 0.21 0.00 0.00 175.17 174.58 3h8i s VAL 30 N 1.70 4.65 -0.03 -1.27 1.01 -1.26 -0.29 120.40 124.89 3h8i s VAL 30 Ca 0.06 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.02 3h8i s VAL 30 Cb -0.17 -3.18 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 3h8i s VAL 30 CO 0.09 0.32 -0.15 -0.75 0.00 0.00 0.00 175.10 174.62 3h8i s LYS 31 N 1.56 1.49 -0.11 2.72 2.20 -0.56 -1.16 119.74 125.88 3h8i s LYS 31 Ca 0.06 -0.52 -0.02 0.00 -0.36 0.00 0.00 55.97 55.13 3h8i s LYS 31 Cb -0.15 -1.33 -0.03 0.00 -1.51 0.00 0.00 37.83 34.81 3h8i s LYS 31 CO 0.06 0.22 -0.05 0.08 -0.36 0.00 0.00 175.35 175.30 3h8i s VAL 32 N 0.02 3.80 -0.20 4.02 1.01 -0.47 -0.26 120.40 128.33 3h8i s VAL 32 Ca -0.02 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3h8i s VAL 32 Cb -0.10 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.69 3h8i s VAL 32 CO 0.01 0.55 -0.17 -0.63 0.00 0.00 0.00 175.10 174.86 3h8i s ILE 33 N -0.19 2.23 0.04 2.22 1.01 -0.20 -0.16 121.20 126.14 3h8i s ILE 33 Ca 0.03 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.74 3h8i s ILE 33 Cb -0.13 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 3h8i s ILE 33 CO 0.03 0.45 -0.13 0.21 0.00 0.00 0.00 174.94 175.50 3h8i s ASN 34 N 1.29 1.52 0.08 3.58 2.47 -0.98 -1.04 114.94 121.86 3h8i s ASN 34 Ca 0.03 -0.45 0.10 0.00 0.42 0.00 0.00 52.86 52.97 3h8i s ASN 34 Cb -0.14 -0.09 0.48 0.00 -1.45 0.00 0.00 41.25 40.05 3h8i s ASN 34 CO -0.11 0.01 1.32 2.29 -3.72 0.00 0.00 177.10 176.89 3h8i n LYS 35 N 1.92 0.04 -3.93 0.43 2.85 -0.97 -0.72 118.16 117.77 3h8i n LYS 35 Ca -0.18 0.44 -0.09 0.00 -1.05 0.00 0.00 58.31 57.43 3h8i n LYS 35 Cb 0.55 -1.61 -0.09 0.00 -0.65 0.00 0.00 35.03 33.23 3h8i n LYS 35 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3h8i s SER 36 N -3.30 0.22 0.20 -5.58 1.04 -1.26 -4.63 113.70 100.39 3h8i s SER 36 Ca 0.02 -0.68 0.05 0.00 0.48 0.00 0.00 55.95 55.82 3h8i s SER 36 Cb 0.05 0.27 0.10 0.00 0.10 0.00 0.00 66.02 66.55 3h8i s SER 36 CO 0.15 -0.63 1.46 -0.09 0.98 0.00 0.00 173.24 175.11 3h8i h ARG 37 N 3.14 0.13 -6.36 4.02 2.43 -1.95 -3.45 114.38 112.33 3h8i h ARG 37 Ca -0.33 -0.12 -0.67 0.00 -0.81 0.00 0.00 59.98 58.04 3h8i h ARG 37 Cb 1.18 0.03 -0.16 0.00 -0.42 0.00 0.00 29.97 30.60 3h8i h ARG 37 CO 0.56 0.84 -0.70 -0.06 -1.51 0.00 0.00 179.97 179.10 3h8i s PHE 38 N -3.35 2.87 -0.11 2.20 0.08 -1.26 -0.79 117.98 117.62 3h8i s PHE 38 Ca -0.02 -0.06 0.02 0.00 0.12 0.00 0.00 56.93 56.99 3h8i s PHE 38 Cb 0.11 -1.56 0.01 0.00 -0.57 0.00 0.00 43.02 41.02 3h8i s PHE 38 CO 0.80 0.40 -0.17 -1.12 -0.10 0.00 0.00 175.22 175.04 3h8i s SER 39 N -1.74 2.59 -0.05 1.36 0.01 -0.39 -4.97 113.70 110.50 3h8i s SER 39 Ca 0.19 -0.47 -0.01 0.00 1.31 0.00 0.00 55.95 56.98 3h8i s SER 39 Cb -0.11 -1.17 -0.03 0.00 0.21 0.00 0.00 66.02 64.91 3h8i s SER 39 CO 0.11 0.04 0.02 -0.31 0.41 0.00 0.00 173.24 173.50 3h8i s TYR 40 N 0.91 3.18 -0.39 2.43 1.51 -1.26 -0.74 117.35 122.99 3h8i s TYR 40 Ca -0.07 0.19 0.01 0.00 -1.01 0.00 0.00 57.07 56.18 3h8i s TYR 40 Cb -0.15 -1.76 0.12 0.00 -0.11 0.00 0.00 41.96 40.06 3h8i s TYR 40 CO -0.01 0.50 0.19 -0.06 -1.11 0.00 0.00 175.55 175.05 3h8i s PHE 41 N -0.99 1.91 0.00 2.71 0.40 0.14 -4.98 117.98 117.16 3h8i s PHE 41 Ca 0.16 -2.21 0.00 0.00 -0.60 0.00 0.00 56.93 54.29 3h8i s PHE 41 Cb -0.11 -1.83 0.00 0.00 0.51 0.00 0.00 43.02 41.58 3h8i s PHE 41 CO 0.06 -0.82 0.00 0.54 0.70 0.00 0.00 175.22 175.70 3h8i n ARG 42 N 3.98 3.61 -4.25 0.44 1.74 -1.26 -1.82 116.66 119.10 3h8i n ARG 42 Ca 0.05 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.79 3h8i n ARG 42 Cb 0.37 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.73 3h8i n ARG 42 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 3h8i s PRO 43 N 2.50 3.06 0.18 5.56 0.02 -1.26 -4.93 135.00 140.13 3h8i s PRO 43 Ca 0.00 -0.38 -0.25 0.00 0.02 0.00 0.00 61.00 60.39 3h8i s PRO 43 Cb 0.00 -2.86 0.06 0.00 0.02 0.00 0.00 34.50 31.72 3h8i s PRO 43 CO 0.00 0.71 1.56 0.00 -0.33 0.00 0.00 177.00 178.94 3h8i h ALA 44 N 4.94 -0.26 -4.10 -1.55 0.00 -1.99 -3.40 119.26 112.90 3h8i h ALA 44 Ca -0.51 0.14 -0.59 0.00 0.00 0.00 0.00 54.91 53.94 3h8i h ALA 44 Cb 1.20 0.99 -0.26 0.00 0.00 0.00 0.00 17.79 19.71 3h8i h ALA 44 CO 0.56 -0.80 -0.85 -0.51 0.00 0.00 0.00 179.25 177.65 3h8i s LEU 45 N -10.63 2.16 1.23 0.00 1.43 -1.26 -4.98 118.68 106.64 3h8i s LEU 45 Ca -0.14 -0.52 -0.18 0.00 -1.03 0.00 0.00 54.13 52.26 3h8i s LEU 45 Cb 0.14 -1.01 0.30 0.00 0.03 0.00 0.00 46.19 45.65 3h8i s LEU 45 CO 0.67 0.17 1.04 -2.16 0.23 0.00 0.00 176.35 176.30 3h8i s PRO 46 N -1.16 -1.47 -0.72 1.29 0.04 -1.26 -5.01 135.00 126.72 3h8i s PRO 46 Ca 0.08 0.25 0.05 0.00 0.04 0.00 0.00 61.00 61.41 3h8i s PRO 46 Cb -0.09 -1.54 0.19 0.00 0.04 0.00 0.00 34.50 33.10 3h8i s PRO 46 CO 0.02 -3.94 0.58 1.58 0.04 0.00 0.00 177.00 175.28 3h8i n HIS 47 N -4.98 3.42 -1.70 0.56 -0.00 -1.26 -5.03 115.22 106.23 3h8i n HIS 47 Ca 0.10 -4.26 -0.22 0.00 0.46 0.00 0.00 57.72 53.79 3h8i n HIS 47 Cb 0.58 -0.67 -0.05 0.00 -0.12 0.00 0.00 29.99 29.73 3h8i n HIS 47 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 3h8i s VAL 48 N -1.67 3.12 0.09 3.57 -7.23 -1.26 -4.69 120.40 112.32 3h8i s VAL 48 Ca 0.28 -0.06 0.09 0.00 -1.81 0.00 0.00 61.98 60.48 3h8i s VAL 48 Cb -0.01 -3.28 -0.04 0.00 0.56 0.00 0.00 36.38 33.61 3h8i s VAL 48 CO -0.13 -0.27 -0.22 0.00 -0.31 0.00 0.00 175.10 174.17 3h8i s ALA 49 N 12.94 2.51 -0.40 1.32 0.00 -1.26 -4.80 121.76 132.08 3h8i s ALA 49 Ca 0.87 -1.33 -0.28 0.00 0.00 0.00 0.00 51.96 51.22 3h8i s ALA 49 Cb -0.12 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 3h8i s ALA 49 CO 0.11 0.56 1.84 0.42 0.00 0.00 0.00 175.76 178.69 3h8i s ILE 50 N -1.01 3.43 -1.92 0.00 1.09 -1.26 -3.02 121.20 118.51 3h8i s ILE 50 Ca 0.15 0.40 0.00 0.00 -1.10 0.00 0.00 60.65 60.10 3h8i s ILE 50 Cb -0.10 -3.69 0.00 0.00 -1.06 0.00 0.00 42.46 37.61 3h8i s ILE 50 CO 0.06 -0.51 0.00 0.61 -0.10 0.00 0.00 174.94 175.01 3h8i n GLY 51 N 5.51 1.52 2.68 6.18 0.00 -1.26 -4.97 105.19 114.84 3h8i n GLY 51 Ca 0.23 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3h8i n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h8i s VAL 52 N -2.72 0.67 -0.59 1.61 1.01 -1.17 -5.09 120.40 114.12 3h8i s VAL 52 Ca 0.00 -1.36 -0.16 0.00 0.00 0.00 0.00 61.98 60.46 3h8i s VAL 52 Cb 0.00 -1.51 0.13 0.00 0.00 0.00 0.00 36.38 35.00 3h8i s VAL 52 CO 0.00 -0.72 0.58 -0.60 0.00 0.00 0.00 175.10 174.36 3h8i s ARG 53 N 1.61 3.08 -0.74 2.72 3.52 -1.26 -4.12 118.95 123.76 3h8i s ARG 53 Ca 0.11 -1.71 -0.24 0.00 -0.13 0.00 0.00 55.73 53.75 3h8i s ARG 53 Cb -0.18 -4.32 0.06 0.00 -1.56 0.00 0.00 34.95 28.95 3h8i s ARG 53 CO -0.25 -1.38 1.14 0.34 -0.81 0.00 0.00 175.30 174.34 3h8i s ASP 54 N 3.44 6.23 0.14 -2.12 2.15 -1.26 -5.02 116.67 120.23 3h8i s ASP 54 Ca 0.07 -0.91 -0.26 0.00 0.43 0.00 0.00 52.55 51.88 3h8i s ASP 54 Cb -0.26 -2.48 -0.07 0.00 -0.30 0.00 0.00 42.92 39.80 3h8i s ASP 54 CO 0.02 -1.57 0.79 -0.69 -0.17 0.00 0.00 175.17 173.55 3h8i s VAL 55 N 4.66 4.45 -0.47 1.11 1.01 -1.26 -4.88 120.40 125.01 3h8i s VAL 55 Ca 0.30 1.72 0.05 0.00 0.00 0.00 0.00 61.98 64.04 3h8i s VAL 55 Cb -0.11 -4.15 0.25 0.00 0.00 0.00 0.00 36.38 32.37 3h8i s VAL 55 CO 0.09 0.48 0.94 -0.67 0.00 0.00 0.00 175.10 175.93 3h8i n ASP 56 N 1.93 -2.69 -4.50 3.32 2.03 -1.26 -5.14 116.55 110.25 3h8i n ASP 56 Ca -0.04 -3.11 -0.33 0.00 0.52 0.00 0.00 54.79 51.82 3h8i n ASP 56 Cb 0.49 1.69 -0.12 0.00 -0.72 0.00 0.00 41.12 42.46 3h8i n ASP 56 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 3h8i s GLU 57 N 0.61 3.12 -0.25 -0.67 -1.05 -1.26 -4.46 118.70 114.74 3h8i s GLU 57 Ca 0.31 -0.59 -0.15 0.00 -0.15 0.00 0.00 54.97 54.40 3h8i s GLU 57 Cb 0.23 -2.66 -0.04 0.00 -0.44 0.00 0.00 34.13 31.22 3h8i s GLU 57 CO -0.22 0.44 0.35 -1.17 0.95 0.00 0.00 175.26 175.61 3h8i s LEU 58 N -0.22 4.07 -0.27 1.83 2.96 -0.76 -4.93 118.68 121.36 3h8i s LEU 58 Ca 0.02 0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 54.21 3h8i s LEU 58 Cb -0.13 -2.41 0.02 0.00 0.50 0.00 0.00 46.19 44.18 3h8i s LEU 58 CO 0.03 -0.14 -0.00 -0.75 -1.32 0.00 0.00 176.35 174.17 3h8i s LYS 59 N 1.82 2.89 -0.16 1.98 2.20 -1.26 -0.69 119.74 126.52 3h8i s LYS 59 Ca 0.15 -0.96 -0.08 0.00 -0.36 0.00 0.00 55.97 54.72 3h8i s LYS 59 Cb -0.15 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 3h8i s LYS 59 CO 0.09 -0.44 0.12 0.08 -0.36 0.00 0.00 175.35 174.84 3h8i s VAL 60 N 1.38 5.33 -0.49 4.02 1.01 0.08 -4.96 120.40 126.78 3h8i s VAL 60 Ca 0.01 0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 3h8i s VAL 60 Cb -0.17 -3.38 0.11 0.00 0.00 0.00 0.00 36.38 32.95 3h8i s VAL 60 CO -0.02 0.52 0.39 -0.62 0.00 0.00 0.00 175.10 175.38 3h8i s ASP 61 N -0.27 5.88 0.46 3.32 -1.08 -1.26 -1.26 116.67 122.45 3h8i s ASP 61 Ca 0.11 -1.78 0.14 0.00 -0.52 0.00 0.00 52.55 50.49 3h8i s ASP 61 Cb -0.12 -2.08 1.09 0.00 -1.46 0.00 0.00 42.92 40.35 3h8i s ASP 61 CO 0.01 -0.72 2.04 -0.07 0.52 0.00 0.00 175.17 176.95 3h8i h LEU 62 N 8.61 0.26 -1.38 -1.34 3.38 -1.32 0.27 115.31 123.79 3h8i h LEU 62 Ca -0.25 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3h8i h LEU 62 Cb 1.09 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 3h8i h LEU 62 CO 0.91 0.17 0.00 0.77 0.09 0.00 0.00 178.44 180.38 3h8i h SER 63 N 0.29 0.38 0.00 -0.43 4.64 -1.93 -2.09 113.55 114.41 3h8i h SER 63 Ca 0.18 -0.06 -0.40 0.00 -0.47 0.00 0.00 61.79 61.04 3h8i h SER 63 Cb 0.33 -0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 62.25 3h8i h SER 63 CO -0.04 0.44 -2.48 -0.62 -0.87 0.00 0.00 176.83 173.27 3h8i n GLU 64 N -4.32 0.63 -0.25 4.77 1.02 -0.74 -4.22 120.64 117.53 3h8i n GLU 64 Ca 0.01 0.17 -0.07 0.00 -0.02 0.00 0.00 57.16 57.24 3h8i n GLU 64 Cb 0.22 -1.51 0.05 0.00 -0.02 0.00 0.00 31.44 30.17 3h8i n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h8i h ALA 65 N -0.17 0.92 0.16 0.62 0.00 -0.55 -3.03 119.26 117.21 3h8i h ALA 65 Ca -0.60 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.08 3h8i h ALA 65 Cb 1.84 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3h8i h ALA 65 CO -0.15 0.60 -0.08 -0.07 0.00 0.00 0.00 179.25 179.56 3h8i h LEU 66 N 1.03 -0.18 -1.86 0.00 3.38 -1.58 -3.24 115.31 112.86 3h8i h LEU 66 Ca 0.22 -0.36 0.06 0.00 0.09 0.00 0.00 57.88 57.90 3h8i h LEU 66 Cb 0.31 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3h8i h LEU 66 CO -0.01 0.33 0.22 -0.65 0.09 0.00 0.00 178.44 178.42 3h8i h PRO 67 N -0.76 0.17 0.00 1.13 0.11 -1.30 0.40 132.00 131.75 3h8i h PRO 67 Ca -0.02 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3h8i h PRO 67 Cb 0.52 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.59 3h8i h PRO 67 CO 0.04 0.11 0.02 -1.91 -0.21 0.00 0.00 178.00 176.05 3h8i n GLU 68 N -4.48 0.08 -0.01 1.05 4.07 -1.14 -1.06 120.64 119.14 3h8i n GLU 68 Ca 0.04 0.57 0.01 0.00 -0.06 0.00 0.00 57.16 57.71 3h8i n GLU 68 Cb 0.26 -1.77 0.01 0.00 -0.06 0.00 0.00 31.44 29.88 3h8i n GLU 68 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3h8i n LYS 69 N -1.91 2.94 -0.93 5.31 4.76 0.14 -4.97 118.16 123.50 3h8i n LYS 69 Ca -0.01 -1.57 0.00 0.00 -2.87 0.00 0.00 58.31 53.86 3h8i n LYS 69 Cb 0.04 -1.03 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 3h8i n LYS 69 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h8i n GLY 70 N -0.47 0.55 3.27 0.72 0.00 -0.22 -4.87 105.19 104.17 3h8i n GLY 70 Ca 0.01 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 3h8i n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h8i s ILE 71 N -2.00 2.72 0.69 -0.61 1.01 -0.85 -4.64 121.20 117.52 3h8i s ILE 71 Ca 0.00 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 59.79 3h8i s ILE 71 Cb 0.00 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.32 3h8i s ILE 71 CO 0.00 0.51 1.06 -1.10 0.00 0.00 0.00 174.94 175.41 3h8i s GLN 72 N 0.82 2.99 -0.02 2.79 -0.21 -0.31 -1.30 119.66 124.43 3h8i s GLN 72 Ca -0.05 0.80 0.00 0.00 0.02 0.00 0.00 55.36 56.14 3h8i s GLN 72 Cb -0.15 -2.01 0.02 0.00 1.00 0.00 0.00 33.01 31.87 3h8i s GLN 72 CO -0.00 -1.02 0.01 0.12 -2.12 0.00 0.00 175.29 172.27 3h8i s PHE 73 N -3.13 0.17 -0.07 0.91 5.36 -1.26 -1.36 117.98 118.59 3h8i s PHE 73 Ca 0.58 0.04 0.00 0.00 -0.96 0.00 0.00 56.93 56.58 3h8i s PHE 73 Cb -0.13 -0.26 0.02 0.00 -0.34 0.00 0.00 43.02 42.32 3h8i s PHE 73 CO 0.54 -0.08 -0.05 -1.14 -1.46 0.00 0.00 175.22 173.03 3h8i s GLN 74 N 0.73 1.10 -0.01 10.12 2.00 0.77 -4.94 119.66 129.42 3h8i s GLN 74 Ca -0.07 -0.14 -0.24 0.00 -2.00 0.00 0.00 55.36 52.92 3h8i s GLN 74 Cb -0.10 -1.17 -0.05 0.00 0.80 0.00 0.00 33.01 32.50 3h8i s GLN 74 CO -0.02 -0.18 0.71 -2.00 -0.50 0.00 0.00 175.29 173.31 3h8i s GLU 75 N 1.39 4.44 0.00 1.67 2.12 -1.26 -2.32 118.70 124.74 3h8i s GLU 75 Ca -0.03 0.93 0.00 0.00 0.36 0.00 0.00 54.97 56.24 3h8i s GLU 75 Cb -0.13 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.86 3h8i s GLU 75 CO -0.03 0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.29 3h8i n GLY 76 N 2.73 1.12 3.39 -1.50 0.00 0.10 -4.33 105.19 106.71 3h8i n GLY 76 Ca -0.02 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 3h8i n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h8i s THR 77 N -2.00 5.03 0.16 2.61 2.01 0.43 -2.30 115.64 121.58 3h8i s THR 77 Ca 0.00 -0.95 -0.34 0.00 0.31 0.00 0.00 61.69 60.71 3h8i s THR 77 Cb 0.00 -3.92 -0.14 0.00 0.01 0.00 0.00 72.50 68.45 3h8i s THR 77 CO 0.00 -0.44 1.56 0.52 -0.69 0.00 0.00 174.62 175.58 3h8i n VAL 78 N 5.13 0.03 -0.06 3.82 0.31 -1.26 -1.36 118.33 124.94 3h8i n VAL 78 Ca -0.12 -0.01 -0.04 0.00 -0.01 0.00 0.00 64.34 64.17 3h8i n VAL 78 Cb 0.45 -1.51 -0.12 0.00 -0.91 0.00 0.00 33.84 31.75 3h8i n VAL 78 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3h8i n GLU 79 N 3.34 1.29 -3.59 5.55 -0.58 0.83 -4.73 120.64 122.75 3h8i n GLU 79 Ca 0.17 -0.04 -0.04 0.00 -0.42 0.00 0.00 57.16 56.82 3h8i n GLU 79 Cb 0.29 -1.38 -0.02 0.00 -0.57 0.00 0.00 31.44 29.75 3h8i n GLU 79 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 3h8i s LYS 80 N -2.55 0.33 -0.11 3.49 -2.85 -1.17 -4.54 119.74 112.34 3h8i s LYS 80 Ca -0.07 -0.12 0.03 0.00 -1.00 0.00 0.00 55.97 54.81 3h8i s LYS 80 Cb 0.06 0.15 0.00 0.00 -2.06 0.00 0.00 37.83 35.98 3h8i s LYS 80 CO 0.63 -0.14 -0.22 0.42 0.10 0.00 0.00 175.35 176.13 3h8i s ILE 81 N -2.44 1.95 -0.76 3.79 1.01 -1.26 -1.47 121.20 122.02 3h8i s ILE 81 Ca 0.09 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.68 3h8i s ILE 81 Cb -0.01 -1.71 0.20 0.00 0.01 0.00 0.00 42.46 40.95 3h8i s ILE 81 CO -0.05 0.53 0.67 -0.62 0.00 0.00 0.00 174.94 175.48 3h8i s ASP 82 N 0.53 6.40 0.42 3.58 2.15 -0.06 -1.91 116.67 127.78 3h8i s ASP 82 Ca -0.15 -2.62 0.09 0.00 0.43 0.00 0.00 52.55 50.30 3h8i s ASP 82 Cb -0.17 -2.14 0.92 0.00 -0.30 0.00 0.00 42.92 41.23 3h8i s ASP 82 CO 0.05 -0.56 2.04 0.00 -0.17 0.00 0.00 175.17 176.53 3h8i h ALA 83 N 7.75 1.71 -0.50 3.66 0.00 -1.94 0.42 119.26 130.37 3h8i h ALA 83 Ca 0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3h8i h ALA 83 Cb 1.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3h8i h ALA 83 CO 0.77 0.24 0.05 0.87 0.00 0.00 0.00 179.25 181.18 3h8i h LYS 84 N 0.37 0.84 -0.02 0.00 1.57 -1.95 -3.08 116.57 114.30 3h8i h LYS 84 Ca 0.10 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3h8i h LYS 84 Cb 0.06 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3h8i h LYS 84 CO -0.01 0.86 -0.25 -1.13 -0.57 0.00 0.00 179.45 178.34 3h8i n SER 85 N -4.38 2.25 -3.57 0.86 3.41 -1.09 -4.98 113.62 106.12 3h8i n SER 85 Ca 0.01 -1.63 -0.21 0.00 -0.26 0.00 0.00 58.87 56.78 3h8i n SER 85 Cb 0.28 0.24 0.07 0.00 -0.26 0.00 0.00 64.21 64.54 3h8i n SER 85 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3h8i n SER 86 N 0.43 -2.93 -4.39 4.04 7.64 0.14 -4.90 113.62 113.64 3h8i n SER 86 Ca 0.12 -0.67 -0.30 0.00 1.01 0.00 0.00 58.87 59.03 3h8i n SER 86 Cb 0.50 -4.74 -0.14 0.00 -1.01 0.00 0.00 64.21 58.82 3h8i n SER 86 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3h8i s MET 87 N -5.81 1.89 -0.18 1.43 -1.94 -0.79 -1.66 119.30 112.25 3h8i s MET 87 Ca 0.18 -1.07 0.00 0.00 -1.71 0.00 0.00 55.69 53.09 3h8i s MET 87 Cb -0.08 -2.06 0.01 0.00 2.01 0.00 0.00 34.83 34.71 3h8i s MET 87 CO 0.76 0.52 -0.16 0.08 -0.01 0.00 0.00 175.02 176.21 3h8i s VAL 88 N -0.87 2.46 -0.16 -6.03 1.01 0.17 -0.88 120.40 116.10 3h8i s VAL 88 Ca 0.13 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 3h8i s VAL 88 Cb -0.10 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 3h8i s VAL 88 CO 0.03 0.51 0.23 -0.31 0.00 0.00 0.00 175.10 175.57 3h8i s TYR 89 N 1.17 3.48 0.05 5.22 1.51 -0.54 -1.43 117.35 126.81 3h8i s TYR 89 Ca 0.02 0.53 -0.18 0.00 -1.01 0.00 0.00 57.07 56.43 3h8i s TYR 89 Cb -0.14 -2.24 0.04 0.00 -0.11 0.00 0.00 41.96 39.51 3h8i s TYR 89 CO -0.07 0.34 0.41 1.52 -1.11 0.00 0.00 175.55 176.64 3h8i s TYR 90 N 0.16 -0.26 -0.16 2.71 -0.85 -0.62 -0.12 117.35 118.20 3h8i s TYR 90 Ca 0.14 0.22 -0.13 0.00 -0.52 0.00 0.00 57.07 56.77 3h8i s TYR 90 Cb -0.12 0.22 -0.05 0.00 0.38 0.00 0.00 41.96 42.39 3h8i s TYR 90 CO 0.03 -0.57 0.27 0.99 -1.52 0.00 0.00 175.55 174.75 3h8i s THR 91 N -2.50 5.32 0.64 -3.49 2.01 -0.46 -0.06 115.64 117.09 3h8i s THR 91 Ca -0.05 0.51 -0.07 0.00 0.31 0.00 0.00 61.69 62.39 3h8i s THR 91 Cb -0.01 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.91 3h8i s THR 91 CO -0.03 0.40 0.96 -0.54 -0.69 0.00 0.00 174.62 174.73 3h8i s LYS 92 N 0.39 2.74 0.26 4.92 1.02 0.78 -0.43 119.74 129.41 3h8i s LYS 92 Ca 0.16 0.01 -0.03 0.00 0.02 0.00 0.00 55.97 56.13 3h8i s LYS 92 Cb -0.13 -2.21 0.42 0.00 -0.52 0.00 0.00 37.83 35.39 3h8i s LYS 92 CO 0.03 -0.88 1.85 -1.35 -0.92 0.00 0.00 175.35 174.08 3h8i h PRO 93 N -0.35 0.98 0.00 -1.68 0.11 -1.88 -0.97 132.00 128.21 3h8i h PRO 93 Ca -0.45 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3h8i h PRO 93 Cb 1.27 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3h8i h PRO 93 CO 0.61 0.65 0.00 -0.40 -0.21 0.00 0.00 178.00 178.65 3h8i n ASP 94 N -4.61 0.00 0.00 -2.05 5.68 -1.26 -4.81 116.55 109.50 3h8i n ASP 94 Ca 0.15 -0.10 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 3h8i n ASP 94 Cb 0.24 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 3h8i n ASP 94 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h8i n GLY 95 N -0.41 1.42 3.76 6.12 0.00 -0.37 -5.05 105.19 110.66 3h8i n GLY 95 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3h8i n GLY 95 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h8i s SER 96 N -2.08 5.22 -0.39 1.61 1.04 -1.26 -4.69 113.70 113.16 3h8i s SER 96 Ca 0.00 2.17 -0.10 0.00 0.48 0.00 0.00 55.95 58.50 3h8i s SER 96 Cb 0.00 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.60 3h8i s SER 96 CO 0.00 -1.56 0.22 -0.32 0.98 0.00 0.00 173.24 172.56 3h8i s MET 97 N -3.67 2.72 0.43 4.02 1.75 -1.26 -0.16 119.30 123.13 3h8i s MET 97 Ca 0.72 -1.24 -0.02 0.00 -1.25 0.00 0.00 55.69 53.90 3h8i s MET 97 Cb -0.24 -3.73 -0.02 0.00 2.84 0.00 0.00 34.83 33.68 3h8i s MET 97 CO 0.35 -0.80 0.67 0.00 -0.65 0.00 0.00 175.02 174.60 3h8i s ALA 98 N 1.49 3.60 -0.22 4.11 0.00 0.92 -4.94 121.76 126.72 3h8i s ALA 98 Ca 0.02 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.12 3h8i s ALA 98 Cb -0.21 -2.28 0.11 0.00 0.00 0.00 0.00 23.12 20.74 3h8i s ALA 98 CO 0.05 -0.26 0.33 -2.00 0.00 0.00 0.00 175.76 173.87 3h8i s GLU 99 N -4.55 0.29 0.19 0.00 2.12 -1.26 -1.60 118.70 113.90 3h8i s GLU 99 Ca 0.45 0.51 0.10 0.00 0.36 0.00 0.00 54.97 56.39 3h8i s GLU 99 Cb -0.10 -0.56 -0.04 0.00 0.26 0.00 0.00 34.13 33.69 3h8i s GLU 99 CO 0.40 -0.58 -0.13 -1.21 -0.54 0.00 0.00 175.26 173.19 3h8i s GLU 100 N 2.49 1.92 0.12 4.30 2.02 -0.51 -4.92 118.70 124.12 3h8i s GLU 100 Ca 0.09 -1.37 0.03 0.00 0.02 0.00 0.00 54.97 53.75 3h8i s GLU 100 Cb -0.15 -2.06 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 3h8i s GLU 100 CO -0.14 0.42 0.15 -1.83 0.02 0.00 0.00 175.26 173.88 3h8i s GLU 101 N -2.87 3.06 0.09 1.61 -1.05 -1.26 0.42 118.70 118.70 3h8i s GLU 101 Ca 0.24 -0.71 0.02 0.00 -0.15 0.00 0.00 54.97 54.38 3h8i s GLU 101 Cb -0.08 -2.78 -0.04 0.00 -0.44 0.00 0.00 34.13 30.79 3h8i s GLU 101 CO 0.14 0.53 -0.08 1.52 0.95 0.00 0.00 175.26 178.33 3h8i s TYR 102 N -1.60 0.90 -0.11 4.83 -0.85 -0.66 -4.95 117.35 114.90 3h8i s TYR 102 Ca 0.32 -0.78 -0.06 0.00 -0.52 0.00 0.00 57.07 56.02 3h8i s TYR 102 Cb -0.11 -0.51 -0.26 0.00 0.38 0.00 0.00 41.96 41.45 3h8i s TYR 102 CO 0.24 -0.10 0.40 -0.44 -1.52 0.00 0.00 175.55 174.13 3h8i h ASP 103 N 3.35 0.41 -4.53 -0.18 3.32 -1.46 -3.47 116.42 113.86 3h8i h ASP 103 Ca -0.36 -0.91 -0.19 0.00 0.02 0.00 0.00 57.03 55.59 3h8i h ASP 103 Cb 1.18 -0.13 -0.23 0.00 0.22 0.00 0.00 39.33 40.36 3h8i h ASP 103 CO 0.58 1.81 -0.69 -0.31 -1.72 0.00 0.00 179.24 178.92 3h8i s TYR 104 N -2.56 0.15 -0.02 4.55 2.02 -1.09 -4.86 117.35 115.54 3h8i s TYR 104 Ca -0.21 -0.30 0.03 0.00 -0.37 0.00 0.00 57.07 56.22 3h8i s TYR 104 Cb 0.07 -0.11 -0.00 0.00 -0.40 0.00 0.00 41.96 41.51 3h8i s TYR 104 CO 0.78 -0.13 -0.12 0.54 -1.57 0.00 0.00 175.55 175.05 3h8i s VAL 105 N -0.93 0.97 -0.32 0.71 0.11 -0.77 -1.24 120.40 118.93 3h8i s VAL 105 Ca -0.10 -0.49 -0.00 0.00 -2.93 0.00 0.00 61.98 58.46 3h8i s VAL 105 Cb -0.06 -0.83 0.07 0.00 -1.53 0.00 0.00 36.38 34.02 3h8i s VAL 105 CO -0.00 0.28 0.02 -0.63 -3.33 0.00 0.00 175.10 171.44 3h8i s ILE 106 N -0.06 2.77 -0.39 7.04 1.01 0.38 -0.09 121.20 131.86 3h8i s ILE 106 Ca 0.01 -1.68 -0.26 0.00 0.00 0.00 0.00 60.65 58.71 3h8i s ILE 106 Cb -0.07 -2.71 0.02 0.00 0.01 0.00 0.00 42.46 39.70 3h8i s ILE 106 CO 0.00 -0.26 0.96 -0.69 0.00 0.00 0.00 174.94 174.96 3h8i s VAL 107 N 1.15 4.52 -0.13 2.92 1.01 0.28 -1.15 120.40 129.00 3h8i s VAL 107 Ca -0.02 1.19 0.20 0.00 0.00 0.00 0.00 61.98 63.35 3h8i s VAL 107 Cb -0.20 -4.39 0.45 0.00 0.00 0.00 0.00 36.38 32.24 3h8i s VAL 107 CO -0.03 -0.63 1.17 0.61 0.00 0.00 0.00 175.10 176.22 3h8i n GLY 108 N 4.46 2.78 0.38 4.51 0.00 0.27 -0.23 105.19 117.35 3h8i n GLY 108 Ca 0.08 -1.20 0.05 0.00 0.00 0.00 0.00 46.02 44.94 3h8i n GLY 108 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3h8i n ILE 109 N -0.25 0.25 -4.89 -0.61 -5.35 -1.05 -4.33 119.36 103.13 3h8i n ILE 109 Ca 0.14 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 3h8i n ILE 109 Cb 0.95 0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 3h8i n ILE 109 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h8i n GLY 110 N 0.87 0.73 0.00 3.28 0.00 -1.26 -4.91 105.19 103.89 3h8i n GLY 110 Ca 0.09 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3h8i n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h8i n ALA 111 N 2.90 0.00 -2.96 4.61 0.00 -1.26 -3.73 120.51 120.07 3h8i n ALA 111 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3h8i n ALA 111 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3h8i n ALA 111 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3h8i s HIS 112 N 2.40 -0.05 -0.71 0.00 2.46 0.92 -4.38 115.29 115.92 3h8i s HIS 112 Ca 0.00 0.14 -0.14 0.00 0.47 0.00 0.00 55.06 55.53 3h8i s HIS 112 Cb 0.00 0.01 0.18 0.00 -0.13 0.00 0.00 32.58 32.64 3h8i s HIS 112 CO 0.00 -0.06 0.64 -0.51 -2.47 0.00 0.00 174.74 172.34 3h8i s LEU 113 N -0.13 6.44 -0.23 8.88 1.43 -1.26 -1.18 118.68 132.63 3h8i s LEU 113 Ca -0.02 -2.40 -0.03 0.00 -1.03 0.00 0.00 54.13 50.66 3h8i s LEU 113 Cb -0.01 -2.17 -0.07 0.00 0.03 0.00 0.00 46.19 43.96 3h8i s LEU 113 CO 0.00 -0.65 1.60 0.00 0.23 0.00 0.00 176.35 177.53 3h8i n ALA 114 N 4.36 2.97 -0.02 4.21 0.00 0.28 -4.52 120.51 127.79 3h8i n ALA 114 Ca 0.04 -0.85 0.15 0.00 0.00 0.00 0.00 53.44 52.78 3h8i n ALA 114 Cb 0.44 -2.49 0.59 0.00 0.00 0.00 0.00 19.45 17.99 3h8i n ALA 114 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3h8i h THR 115 N 3.08 0.83 -0.07 0.00 1.35 -1.93 -0.15 112.91 116.02 3h8i h THR 115 Ca 0.16 -0.07 0.02 0.00 -0.55 0.00 0.00 66.41 65.97 3h8i h THR 115 Cb 0.34 0.61 -0.00 0.00 -1.73 0.00 0.00 68.15 67.36 3h8i h THR 115 CO 0.76 0.04 0.16 1.05 -0.25 0.00 0.00 175.52 177.28 3h8i h GLU 116 N 0.21 0.00 -0.00 4.72 9.09 -1.98 -0.03 114.58 126.58 3h8i h GLU 116 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.66 3h8i h GLU 116 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.80 3h8i h GLU 116 CO -0.04 0.00 -0.00 1.28 0.05 0.00 0.00 179.01 180.30 3h8i n LEU 117 N -3.36 0.02 -4.14 3.06 4.77 -0.07 -4.66 117.00 112.62 3h8i n LEU 117 Ca -0.01 -0.01 -0.35 0.00 -0.03 0.00 0.00 56.01 55.62 3h8i n LEU 117 Cb 0.24 -0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.20 3h8i n LEU 117 CO 0.22 0.00 -0.33 -0.69 -1.33 0.00 0.00 177.39 175.26 3h8i s VAL 118 N -2.00 2.91 0.23 4.08 1.01 -0.03 -4.83 120.40 121.77 3h8i s VAL 118 Ca 0.48 -1.62 -0.31 0.00 0.00 0.00 0.00 61.98 60.53 3h8i s VAL 118 Cb 0.22 -2.78 -0.11 0.00 0.00 0.00 0.00 36.38 33.71 3h8i s VAL 118 CO 0.37 -0.25 1.61 -0.75 0.00 0.00 0.00 175.10 176.08 3h8i s LYS 119 N 1.19 4.16 0.00 2.72 2.20 -0.83 -1.77 119.74 127.42 3h8i s LYS 119 Ca -0.02 2.50 0.00 0.00 -0.36 0.00 0.00 55.97 58.09 3h8i s LYS 119 Cb -0.20 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 3h8i s LYS 119 CO -0.03 -0.64 0.00 0.41 -0.36 0.00 0.00 175.35 174.73 3h8i n GLY 120 N 3.19 0.73 0.20 5.54 0.00 -1.26 0.42 105.19 114.01 3h8i n GLY 120 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 3h8i n GLY 120 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3h8i h TRP 121 N 0.00 -0.42 -0.60 1.61 2.91 -1.61 0.27 115.95 118.11 3h8i h TRP 121 Ca 0.00 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.08 3h8i h TRP 121 Cb 0.00 0.16 -0.06 0.00 -0.51 0.00 0.00 29.16 28.75 3h8i h TRP 121 CO 0.00 -0.25 0.29 -0.44 -1.03 0.00 0.00 178.44 177.01 3h8i h ASP 122 N -0.38 0.39 0.04 2.65 3.32 -1.92 0.05 116.42 120.56 3h8i h ASP 122 Ca -0.01 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3h8i h ASP 122 Cb 0.34 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3h8i h ASP 122 CO -0.01 0.25 -0.02 0.11 -1.72 0.00 0.00 179.24 177.85 3h8i h LYS 123 N 0.53 -0.05 0.00 3.56 1.57 -1.89 -3.40 116.57 116.90 3h8i h LYS 123 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3h8i h LYS 123 Cb 0.23 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3h8i h LYS 123 CO -0.21 0.35 -0.04 0.66 -0.57 0.00 0.00 179.45 179.64 3h8i n TYR 124 N -4.92 0.00 -3.12 -1.35 4.01 0.06 -5.08 117.16 106.77 3h8i n TYR 124 Ca -0.08 -0.50 -0.36 0.00 -0.16 0.00 0.00 57.90 56.80 3h8i n TYR 124 Cb 0.22 -0.07 -0.06 0.00 -0.31 0.00 0.00 39.34 39.12 3h8i n TYR 124 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3h8i s GLY 125 N -1.28 2.60 -0.24 2.72 0.00 -0.00 -4.57 107.32 106.54 3h8i s GLY 125 Ca 0.08 0.15 0.02 0.00 0.00 0.00 0.00 44.72 44.96 3h8i s GLY 125 CO 0.01 0.50 -0.08 -0.19 0.00 0.00 0.00 173.10 173.33 3h8i s TYR 126 N -1.52 2.74 0.25 1.90 1.51 -0.99 -4.96 117.35 116.28 3h8i s TYR 126 Ca 0.43 -1.97 -0.04 0.00 -1.01 0.00 0.00 57.07 54.48 3h8i s TYR 126 Cb -0.17 -1.72 -0.05 0.00 -0.11 0.00 0.00 41.96 39.91 3h8i s TYR 126 CO 0.21 -0.81 0.50 0.45 -1.11 0.00 0.00 175.55 174.79 3h8i s SER 127 N 1.28 6.44 0.03 2.29 0.15 -1.26 -0.90 113.70 121.73 3h8i s SER 127 Ca -0.07 0.64 0.22 0.00 0.70 0.00 0.00 55.95 57.44 3h8i s SER 127 Cb -0.19 -2.11 -0.21 0.00 -1.71 0.00 0.00 66.02 61.80 3h8i s SER 127 CO -0.06 -0.14 0.70 0.55 1.20 0.00 0.00 173.24 175.49 3h8i n VAL 128 N -0.76 0.15 -0.42 4.45 3.14 -1.09 -4.34 118.33 119.45 3h8i n VAL 128 Ca -0.02 -0.44 0.09 0.00 -2.96 0.00 0.00 64.34 61.01 3h8i n VAL 128 Cb 0.54 0.04 0.28 0.00 -1.06 0.00 0.00 33.84 33.64 3h8i n VAL 128 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3h8i s GLU 130 N -1.33 3.42 0.00 0.00 0.41 -1.26 -5.04 118.70 114.90 3h8i s GLU 130 Ca 0.42 -0.66 0.00 0.00 -0.41 0.00 0.00 54.97 54.32 3h8i s GLU 130 Cb 0.24 -3.50 0.00 0.00 -1.78 0.00 0.00 34.13 29.09 3h8i s GLU 130 CO 0.25 -0.36 0.00 -0.35 -0.49 0.00 0.00 175.26 174.31 3h8i n PRO 131 N 4.96 0.00 -0.31 0.39 -0.04 -1.26 0.38 135.00 139.12 3h8i n PRO 131 Ca -0.14 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.39 3h8i n PRO 131 Cb 0.50 0.00 0.23 0.00 -0.04 0.00 0.00 33.50 34.19 3h8i n PRO 131 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3h8i n GLU 132 N -0.34 2.37 0.15 0.54 -0.58 -1.26 -3.60 120.64 117.92 3h8i n GLU 132 Ca 0.00 -1.85 0.01 0.00 -0.42 0.00 0.00 57.16 54.90 3h8i n GLU 132 Cb 0.00 -1.48 0.19 0.00 -0.57 0.00 0.00 31.44 29.58 3h8i n GLU 132 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 3h8i h PHE 133 N 2.90 0.00 0.00 -0.32 3.04 -0.41 -1.61 116.94 120.54 3h8i h PHE 133 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 3h8i h PHE 133 Cb 0.79 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.30 3h8i h PHE 133 CO 0.39 0.55 0.00 0.00 -2.02 0.00 0.00 178.31 177.23 3h8i h ALA 134 N 1.45 1.00 0.00 2.41 0.00 -1.52 -2.59 119.26 120.01 3h8i h ALA 134 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3h8i h ALA 134 Cb 1.11 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3h8i h ALA 134 CO 0.07 0.00 -0.04 1.15 0.00 0.00 0.00 179.25 180.43 3h8i h THR 135 N 0.00 1.51 -0.88 0.00 2.02 -1.54 -2.77 112.91 111.26 3h8i h THR 135 Ca 0.00 -2.15 0.21 0.00 0.77 0.00 0.00 66.41 65.24 3h8i h THR 135 Cb 0.25 2.86 -0.06 0.00 -1.74 0.00 0.00 68.15 69.47 3h8i h THR 135 CO 0.00 0.51 0.59 0.50 0.37 0.00 0.00 175.52 177.49 3h8i h LYS 136 N -1.00 0.32 0.04 6.66 3.64 -1.36 -1.42 116.57 123.46 3h8i h LYS 136 Ca -0.01 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3h8i h LYS 136 Cb 0.87 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3h8i h LYS 136 CO -0.01 0.21 -0.02 1.25 -2.27 0.00 0.00 179.45 178.62 3h8i h LEU 137 N 0.33 -0.05 -0.56 5.20 5.85 -1.56 -2.70 115.31 121.82 3h8i h LEU 137 Ca 0.45 -0.53 0.11 0.00 0.84 0.00 0.00 57.88 58.75 3h8i h LEU 137 Cb 1.22 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 42.16 3h8i h LEU 137 CO -0.14 0.53 -0.06 -0.09 -0.34 0.00 0.00 178.44 178.33 3h8i h ARG 138 N -0.65 0.06 -0.55 1.25 2.43 -0.98 0.21 114.38 116.16 3h8i h ARG 138 Ca -0.01 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 3h8i h ARG 138 Cb 0.58 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3h8i h ARG 138 CO 0.01 0.04 0.00 0.93 -1.51 0.00 0.00 179.97 179.45 3h8i h GLU 139 N 0.06 0.93 -0.49 0.20 5.08 -1.46 -2.62 114.58 116.27 3h8i h GLU 139 Ca 0.28 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 3h8i h GLU 139 Cb 0.45 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3h8i h GLU 139 CO -0.52 0.92 0.01 -0.22 -1.00 0.00 0.00 179.01 178.19 3h8i h LYS 140 N 0.86 0.87 -0.11 2.33 1.63 -0.89 -2.97 116.57 118.29 3h8i h LYS 140 Ca 0.16 -0.27 -0.07 0.00 -0.85 0.00 0.00 60.65 59.62 3h8i h LYS 140 Cb 0.50 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 3h8i h LYS 140 CO 0.02 0.90 -0.26 -0.07 -3.45 0.00 0.00 179.45 176.60 3h8i h LEU 141 N 0.73 0.19 0.00 5.20 3.38 -0.46 -2.26 115.31 122.09 3h8i h LEU 141 Ca 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3h8i h LEU 141 Cb 0.51 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3h8i h LEU 141 CO 0.02 0.45 -0.20 1.05 0.09 0.00 0.00 178.44 179.85 3h8i h GLU 142 N 0.17 0.00 -0.01 1.13 4.11 -1.43 -3.17 114.58 115.39 3h8i h GLU 142 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 3h8i h GLU 142 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3h8i h GLU 142 CO 0.04 0.00 -0.66 -1.13 0.07 0.00 0.00 179.01 177.33 3h8i n SER 143 N -2.92 1.27 -4.65 3.06 3.41 -1.13 -4.94 113.62 107.72 3h8i n SER 143 Ca 0.03 -1.04 -0.43 0.00 -0.26 0.00 0.00 58.87 57.17 3h8i n SER 143 Cb 0.52 0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 65.05 3h8i n SER 143 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3h8i n PHE 144 N -0.91 2.39 0.08 7.33 7.35 -0.86 -4.87 117.46 127.96 3h8i n PHE 144 Ca 0.07 -0.31 0.00 0.00 -0.76 0.00 0.00 57.45 56.45 3h8i n PHE 144 Cb 0.38 -2.78 -0.04 0.00 0.35 0.00 0.00 39.48 37.38 3h8i n PHE 144 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 3h8i h GLN 145 N 11.43 0.00 0.00 -4.13 1.08 -1.91 -3.50 115.11 118.08 3h8i h GLN 145 Ca -0.48 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 3h8i h GLN 145 Cb 1.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 3h8i h GLN 145 CO 0.95 0.45 0.00 0.41 -0.95 0.00 0.00 178.83 179.68 3h8i n GLY 146 N 1.33 2.48 0.00 3.46 0.00 -1.26 -4.94 105.19 106.25 3h8i n GLY 146 Ca -0.04 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3h8i n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8i n GLY 147 N -1.27 0.72 3.74 -0.02 0.00 0.30 -4.94 105.19 103.72 3h8i n GLY 147 Ca 0.00 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 3h8i n GLY 147 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h8i s ASN 148 N -4.00 5.59 -0.05 1.61 0.02 -1.26 -0.15 114.94 116.70 3h8i s ASN 148 Ca 0.00 0.24 0.04 0.00 -1.02 0.00 0.00 52.86 52.12 3h8i s ASN 148 Cb 0.00 -1.66 0.00 0.00 0.02 0.00 0.00 41.25 39.61 3h8i s ASN 148 CO 0.00 0.39 -0.16 -0.63 0.02 0.00 0.00 177.10 176.72 3h8i s ILE 149 N -0.92 1.35 -0.11 0.60 1.01 -0.35 0.71 121.20 123.49 3h8i s ILE 149 Ca 0.14 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.17 3h8i s ILE 149 Cb -0.12 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.18 3h8i s ILE 149 CO 0.03 0.39 -0.23 0.00 0.00 0.00 0.00 174.94 175.13 3h8i s ALA 150 N 0.22 2.21 -0.05 9.38 0.00 0.03 -0.62 121.76 132.94 3h8i s ALA 150 Ca -0.07 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 50.92 3h8i s ALA 150 Cb -0.13 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.14 3h8i s ALA 150 CO 0.03 0.23 -0.08 -1.50 0.00 0.00 0.00 175.76 174.44 3h8i s ILE 151 N 0.43 0.77 -0.57 0.00 2.07 0.10 -0.08 121.20 123.91 3h8i s ILE 151 Ca -0.16 -0.28 0.00 0.00 -1.41 0.00 0.00 60.65 58.80 3h8i s ILE 151 Cb -0.17 -0.73 0.00 0.00 0.13 0.00 0.00 42.46 41.68 3h8i s ILE 151 CO 0.07 0.27 0.00 0.61 -1.91 0.00 0.00 174.94 173.98 3h8i n GLY 152 N 3.83 -1.27 3.41 1.50 0.00 -0.80 -0.96 105.19 110.91 3h8i n GLY 152 Ca -0.24 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.66 3h8i n GLY 152 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h8i s SER 153 N -2.84 3.17 0.61 1.61 1.04 -1.22 -1.60 113.70 114.46 3h8i s SER 153 Ca 0.00 -1.00 -0.08 0.00 0.48 0.00 0.00 55.95 55.35 3h8i s SER 153 Cb 0.00 -0.23 -0.00 0.00 0.10 0.00 0.00 66.02 65.89 3h8i s SER 153 CO 0.00 -0.03 0.95 -0.83 0.98 0.00 0.00 173.24 174.31 3h8i s GLY 154 N -3.31 1.60 0.76 7.32 0.00 -0.18 -3.95 107.32 109.56 3h8i s GLY 154 Ca 0.26 -0.50 -0.14 0.00 0.00 0.00 0.00 44.72 44.33 3h8i s GLY 154 CO 0.11 -0.22 1.19 -4.14 0.00 0.00 0.00 173.10 170.04 3h8i s PRO 155 N -5.07 1.99 -0.39 2.90 0.02 -1.26 -4.50 135.00 128.70 3h8i s PRO 155 Ca 0.54 1.69 -0.13 0.00 0.02 0.00 0.00 61.00 63.12 3h8i s PRO 155 Cb -0.11 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.61 3h8i s PRO 155 CO 0.48 -1.93 0.25 0.12 -0.33 0.00 0.00 177.00 175.58 3h8i s PHE 156 N -2.14 3.24 -1.46 6.54 5.36 0.64 -2.23 117.98 127.93 3h8i s PHE 156 Ca 0.72 -0.79 -0.13 0.00 -0.96 0.00 0.00 56.93 55.77 3h8i s PHE 156 Cb -0.27 -2.50 0.00 0.00 -0.34 0.00 0.00 43.02 39.91 3h8i s PHE 156 CO 0.48 -0.62 2.38 0.66 -1.46 0.00 0.00 175.22 176.66 3h8i n TYR 157 N 5.07 3.18 -2.04 10.12 4.01 0.49 -4.82 117.16 133.17 3h8i n TYR 157 Ca -0.11 -2.94 -0.40 0.00 -0.16 0.00 0.00 57.90 54.28 3h8i n TYR 157 Cb 0.46 -2.50 -0.01 0.00 -0.31 0.00 0.00 39.34 36.99 3h8i n TYR 157 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 3h8i s GLN 158 N 3.04 4.05 0.32 -0.72 0.74 -1.26 -4.63 119.66 121.20 3h8i s GLN 158 Ca 0.53 2.21 -0.05 0.00 0.05 0.00 0.00 55.36 58.09 3h8i s GLN 158 Cb 0.15 -2.83 -0.05 0.00 1.10 0.00 0.00 33.01 31.37 3h8i s GLN 158 CO -0.07 -0.45 0.60 0.20 -0.55 0.00 0.00 175.29 175.02 3h8i s GLY 159 N -0.63 1.81 0.00 2.59 0.00 -1.26 -4.64 107.32 105.18 3h8i s GLY 159 Ca 0.55 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.74 3h8i s GLY 159 CO 0.51 -0.41 0.00 1.42 0.00 0.00 0.00 173.10 174.62 3h8i n HIS 160 N -1.14 0.00 -3.79 1.90 -0.00 -1.26 -4.82 115.22 106.11 3h8i n HIS 160 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.58 3h8i n HIS 160 Cb 0.54 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.40 3h8i n HIS 160 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 3h8i s ASN 161 N -0.83 -0.19 1.07 0.41 -0.87 -1.26 -3.92 114.94 109.36 3h8i s ASN 161 Ca 0.00 0.38 -0.16 0.00 -1.57 0.00 0.00 52.86 51.52 3h8i s ASN 161 Cb 0.00 0.35 0.23 0.00 -0.02 0.00 0.00 41.25 41.81 3h8i s ASN 161 CO 0.00 -0.09 1.13 -2.16 -2.57 0.00 0.00 177.10 173.41 3h8i s PRO 162 N 0.45 -0.20 0.23 -0.60 0.04 -1.26 -1.46 135.00 132.20 3h8i s PRO 162 Ca -0.03 0.11 -0.05 0.00 0.04 0.00 0.00 61.00 61.08 3h8i s PRO 162 Cb -0.04 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.74 3h8i s PRO 162 CO -0.02 -3.07 0.48 0.15 0.04 0.00 0.00 177.00 174.58 3h8i s LYS 163 N -5.31 3.64 0.57 4.56 1.02 -1.25 -4.81 119.74 118.15 3h8i s LYS 163 Ca 0.68 -0.04 -0.19 0.00 0.02 0.00 0.00 55.97 56.44 3h8i s LYS 163 Cb -0.12 -2.73 -0.04 0.00 -0.52 0.00 0.00 37.83 34.41 3h8i s LYS 163 CO 0.56 0.33 1.20 -2.14 -0.92 0.00 0.00 175.35 174.37 3h8i s PRO 164 N -3.16 3.13 -1.23 -1.68 0.02 -1.26 -4.83 135.00 125.99 3h8i s PRO 164 Ca 0.43 1.81 -0.10 0.00 0.02 0.00 0.00 61.00 63.16 3h8i s PRO 164 Cb -0.11 -2.01 0.20 0.00 0.02 0.00 0.00 34.50 32.59 3h8i s PRO 164 CO 0.27 -1.07 1.67 1.63 -0.33 0.00 0.00 177.00 179.17 3h8i n LYS 165 N -1.39 3.68 -4.25 5.54 5.02 0.04 -4.92 118.16 121.88 3h8i n LYS 165 Ca 0.12 -3.81 -0.14 0.00 -2.02 0.00 0.00 58.31 52.46 3h8i n LYS 165 Cb 0.49 -2.87 -0.10 0.00 -0.02 0.00 0.00 35.03 32.53 3h8i n LYS 165 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3h8i s VAL 166 N 0.12 0.71 1.02 -0.18 -7.23 -1.26 -3.76 120.40 109.81 3h8i s VAL 166 Ca 0.39 -1.99 -0.12 0.00 -1.81 0.00 0.00 61.98 58.45 3h8i s VAL 166 Cb 0.05 -2.15 0.16 0.00 0.56 0.00 0.00 36.38 35.00 3h8i s VAL 166 CO 0.01 -0.45 0.84 -2.65 -0.31 0.00 0.00 175.10 172.55 3h8i n PRO 167 N -0.26 -1.12 -1.75 4.82 -0.02 -1.26 -4.89 135.00 130.52 3h8i n PRO 167 Ca -0.06 -0.28 -0.40 0.00 -2.02 0.00 0.00 63.50 60.74 3h8i n PRO 167 Cb 0.63 -2.15 0.02 0.00 -0.02 0.00 0.00 33.50 31.99 3h8i n PRO 167 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3h8i n GLU 168 N -3.73 2.13 -1.13 -0.52 1.02 -1.26 -2.86 120.64 114.29 3h8i n GLU 168 Ca 0.07 0.76 -0.05 0.00 -0.02 0.00 0.00 57.16 57.93 3h8i n GLU 168 Cb 0.54 -2.59 -0.02 0.00 -0.02 0.00 0.00 31.44 29.35 3h8i n GLU 168 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h8i n ASN 169 N -0.24 -5.02 0.14 1.62 4.13 -1.26 -4.86 115.26 109.77 3h8i n ASN 169 Ca 0.06 0.11 0.13 0.00 1.68 0.00 0.00 54.58 56.56 3h8i n ASN 169 Cb 0.42 -2.92 0.38 0.00 -1.54 0.00 0.00 39.78 36.12 3h8i n ASN 169 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 3h8i h PHE 170 N 0.00 0.00 -3.33 3.10 0.05 -1.87 -3.43 116.94 111.47 3h8i h PHE 170 Ca -0.09 0.00 -0.60 0.00 3.82 0.00 0.00 57.97 61.10 3h8i h PHE 170 Cb 0.79 0.00 -0.37 0.00 2.00 0.00 0.00 35.95 38.37 3h8i h PHE 170 CO 0.44 0.00 -0.81 0.08 -0.18 0.00 0.00 178.31 177.83 3h8i s VAL 171 N -3.17 1.53 0.53 -0.55 1.01 -1.26 -4.68 120.40 113.81 3h8i s VAL 171 Ca 0.09 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 3h8i s VAL 171 Cb 0.10 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 3h8i s VAL 171 CO 0.59 0.24 0.86 -2.16 0.00 0.00 0.00 175.10 174.63 3h8i s PRO 172 N 1.46 3.47 -0.23 2.72 0.04 -1.26 -5.04 135.00 136.16 3h8i s PRO 172 Ca 0.01 0.31 -0.12 0.00 0.04 0.00 0.00 61.00 61.23 3h8i s PRO 172 Cb -0.15 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.05 3h8i s PRO 172 CO -0.09 -0.36 0.23 -0.80 0.04 0.00 0.00 177.00 176.02 3h8i s ASN 173 N -4.15 6.21 0.03 6.66 0.01 -1.26 -4.93 114.94 117.51 3h8i s ASN 173 Ca 0.50 0.23 0.04 0.00 -0.71 0.00 0.00 52.86 52.93 3h8i s ASN 173 Cb -0.10 -2.14 -0.02 0.00 0.41 0.00 0.00 41.25 39.39 3h8i s ASN 173 CO 0.47 0.02 -0.13 0.00 -1.51 0.00 0.00 177.10 175.95 3h8i s ALA 174 N 1.15 1.05 -0.34 0.60 0.00 -1.26 -5.01 121.76 117.95 3h8i s ALA 174 Ca 0.11 -0.77 0.23 0.00 0.00 0.00 0.00 51.96 51.53 3h8i s ALA 174 Cb -0.14 -0.15 0.08 0.00 0.00 0.00 0.00 23.12 22.91 3h8i s ALA 174 CO 0.06 0.19 1.12 -0.44 0.00 0.00 0.00 175.76 176.68 3h8i h ASP 175 N 4.98 0.00 -3.93 0.00 3.32 -1.92 -3.43 116.42 115.44 3h8i h ASP 175 Ca -0.37 -0.06 -0.45 0.00 0.02 0.00 0.00 57.03 56.17 3h8i h ASP 175 Cb 1.18 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.43 3h8i h ASP 175 CO 0.44 0.03 -0.80 -0.55 -1.72 0.00 0.00 179.24 176.64 3h8i s SER 176 N -5.10 1.41 0.09 6.45 0.15 -1.26 -0.26 113.70 115.17 3h8i s SER 176 Ca 0.01 -0.22 0.05 0.00 0.70 0.00 0.00 55.95 56.50 3h8i s SER 176 Cb 0.10 -0.31 -0.23 0.00 -1.71 0.00 0.00 66.02 63.88 3h8i s SER 176 CO 0.77 0.10 1.16 0.00 1.20 0.00 0.00 173.24 176.47 3h8i h ALA 177 N 6.19 0.36 -2.10 5.45 0.00 -1.87 -3.42 119.26 123.87 3h8i h ALA 177 Ca -0.33 -0.99 -0.46 0.00 0.00 0.00 0.00 54.91 53.13 3h8i h ALA 177 Cb 1.17 -0.03 -0.33 0.00 0.00 0.00 0.00 17.79 18.60 3h8i h ALA 177 CO 0.49 1.24 -0.80 0.00 0.00 0.00 0.00 179.25 180.18 3h8i n GLU 179 N 3.48 0.64 -0.29 0.00 2.13 -1.26 -4.39 120.64 120.95 3h8i n GLU 179 Ca 0.20 0.15 0.11 0.00 0.66 0.00 0.00 57.16 58.27 3h8i n GLU 179 Cb 0.46 -1.72 0.27 0.00 0.27 0.00 0.00 31.44 30.71 3h8i n GLU 179 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3h8i h GLY 180 N 3.77 1.40 1.98 8.31 0.00 -1.95 0.78 103.07 117.36 3h8i h GLY 180 Ca -0.23 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3h8i h GLY 180 CO 0.04 -0.22 0.01 -2.55 0.00 0.00 0.00 176.54 173.82 3h8i h PRO 181 N 0.40 0.00 -0.45 4.80 0.11 -1.95 -1.95 132.00 132.96 3h8i h PRO 181 Ca 0.51 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.52 3h8i h PRO 181 Cb 0.92 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 3h8i h PRO 181 CO -0.50 0.00 -0.12 0.28 -0.21 0.00 0.00 178.00 177.45 3h8i h VAL 182 N 0.00 1.27 -0.11 3.15 2.07 -1.10 -1.49 116.25 120.04 3h8i h VAL 182 Ca 0.00 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 3h8i h VAL 182 Cb 0.02 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3h8i h VAL 182 CO -0.00 0.43 0.03 0.15 0.02 0.00 0.00 177.57 178.20 3h8i h PHE 183 N 0.72 0.17 0.09 1.57 3.57 -1.37 -1.35 116.94 120.35 3h8i h PHE 183 Ca 0.11 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.60 3h8i h PHE 183 Cb 0.67 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 3h8i h PHE 183 CO 0.05 0.31 -0.12 0.93 -2.23 0.00 0.00 178.31 177.25 3h8i h GLU 184 N -0.01 -0.24 -0.86 1.11 5.08 -1.46 -2.13 114.58 116.08 3h8i h GLU 184 Ca 0.04 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3h8i h GLU 184 Cb 0.21 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 3h8i h GLU 184 CO -0.00 -0.16 0.57 0.52 -1.00 0.00 0.00 179.01 178.93 3h8i h MET 185 N -0.25 1.08 -0.52 2.33 2.86 -1.25 -0.20 114.93 118.98 3h8i h MET 185 Ca 0.01 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3h8i h MET 185 Cb 0.25 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 3h8i h MET 185 CO -0.05 0.71 0.34 0.66 1.06 0.00 0.00 176.91 179.64 3h8i h SER 186 N 1.11 0.59 -0.39 1.22 4.64 -0.86 0.12 113.55 119.97 3h8i h SER 186 Ca 0.33 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.50 3h8i h SER 186 Cb -0.05 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 3h8i h SER 186 CO -0.08 0.43 -0.27 -0.07 -0.87 0.00 0.00 176.83 175.96 3h8i h LEU 187 N 0.70 0.95 -0.60 5.97 3.38 -0.79 -2.49 115.31 122.43 3h8i h LEU 187 Ca 0.19 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 3h8i h LEU 187 Cb -0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 3h8i h LEU 187 CO -0.05 1.16 0.13 0.24 0.09 0.00 0.00 178.44 180.01 3h8i h MET 188 N 0.78 0.97 -0.09 1.13 2.86 -0.63 -2.23 114.93 117.73 3h8i h MET 188 Ca 0.09 -0.24 -0.07 0.00 -2.06 0.00 0.00 59.70 57.42 3h8i h MET 188 Cb 0.84 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 3h8i h MET 188 CO 0.07 0.90 -0.25 -0.07 1.06 0.00 0.00 176.91 178.62 3h8i h LEU 189 N 0.88 0.15 -0.41 1.22 3.38 -0.69 -0.68 115.31 119.15 3h8i h LEU 189 Ca 0.19 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 3h8i h LEU 189 Cb 0.38 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3h8i h LEU 189 CO 0.01 0.41 -0.14 -0.74 0.09 0.00 0.00 178.44 178.06 3h8i h HIS 190 N 0.14 0.93 0.19 1.13 2.76 -1.11 -2.42 115.15 116.77 3h8i h HIS 190 Ca 0.02 -0.22 -0.01 0.00 -2.20 0.00 0.00 60.37 57.97 3h8i h HIS 190 Cb 0.53 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.27 3h8i h HIS 190 CO 0.01 0.96 -0.09 0.78 -1.30 0.00 0.00 177.93 178.28 3h8i h GLY 191 N 0.63 -0.27 0.27 5.26 0.00 -0.94 0.63 103.07 108.65 3h8i h GLY 191 Ca 0.10 0.10 0.11 0.00 0.00 0.00 0.00 47.33 47.64 3h8i h GLY 191 CO 0.05 -0.10 0.20 -1.82 0.00 0.00 0.00 176.54 174.87 3h8i h TYR 192 N -0.36 0.33 0.00 5.60 3.20 -1.13 0.17 116.97 124.77 3h8i h TYR 192 Ca -0.03 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3h8i h TYR 192 Cb 0.28 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3h8i h TYR 192 CO -0.03 0.04 -0.25 0.74 -1.64 0.00 0.00 178.16 177.01 3h8i h PHE 193 N 0.35 0.00 -0.25 -3.82 0.04 -1.33 -2.79 116.94 109.14 3h8i h PHE 193 Ca 0.32 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.90 3h8i h PHE 193 Cb 0.45 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.60 3h8i h PHE 193 CO -0.20 0.25 -0.60 -0.22 -0.60 0.00 0.00 178.31 176.94 3h8i h LYS 194 N 0.00 0.85 0.00 1.51 3.64 0.35 0.15 116.57 123.07 3h8i h LYS 194 Ca -0.00 -0.58 -0.05 0.00 -1.27 0.00 0.00 60.65 58.75 3h8i h LYS 194 Cb 1.08 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 3h8i h LYS 194 CO 0.03 1.21 -0.22 0.87 -2.27 0.00 0.00 179.45 179.07 3h8i h LYS 195 N 0.63 0.00 -0.01 1.90 1.57 -0.95 -1.26 116.57 118.45 3h8i h LYS 195 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3h8i h LYS 195 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3h8i h LYS 195 CO 0.13 0.22 -0.22 1.63 -0.57 0.00 0.00 179.45 180.64 3h8i n LYS 196 N -3.70 0.77 -2.56 3.15 5.02 -1.06 -4.93 118.16 114.85 3h8i n LYS 196 Ca -0.01 -0.40 -0.13 0.00 -2.02 0.00 0.00 58.31 55.74 3h8i n LYS 196 Cb 0.34 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.87 3h8i n LYS 196 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h8i n GLY 197 N 1.33 -0.07 0.83 0.72 0.00 -0.48 -4.94 105.19 102.59 3h8i n GLY 197 Ca 0.13 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.94 3h8i n GLY 197 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3h8i n MET 198 N -2.54 2.41 -0.34 1.61 2.00 0.46 -4.67 117.12 116.05 3h8i n MET 198 Ca -0.09 -2.06 0.34 0.00 0.00 0.00 0.00 57.70 55.88 3h8i n MET 198 Cb 0.58 -1.36 0.71 0.00 0.00 0.00 0.00 33.22 33.16 3h8i n MET 198 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3h8i h LEU 199 N 2.89 0.08 0.00 4.03 3.38 -1.86 0.47 115.31 124.31 3h8i h LEU 199 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3h8i h LEU 199 Cb 0.78 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3h8i h LEU 199 CO 0.00 0.01 -0.57 0.44 0.09 0.00 0.00 178.44 178.41 3h8i h ASP 200 N 0.07 0.00 0.74 -0.43 3.32 -1.93 -3.33 116.42 114.86 3h8i h ASP 200 Ca 0.59 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.49 3h8i h ASP 200 Cb 2.20 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.73 3h8i h ASP 200 CO -0.07 0.03 -1.33 0.29 -1.72 0.00 0.00 179.24 176.43 3h8i n LYS 201 N -2.62 0.62 -4.87 3.56 5.02 0.15 -4.89 118.16 115.13 3h8i n LYS 201 Ca 0.02 0.15 -0.33 0.00 -2.02 0.00 0.00 58.31 56.14 3h8i n LYS 201 Cb 0.51 -1.79 -0.14 0.00 -0.02 0.00 0.00 35.03 33.59 3h8i n LYS 201 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3h8i s VAL 202 N -3.11 2.97 -0.26 -0.18 1.01 -0.29 0.11 120.40 120.65 3h8i s VAL 202 Ca -0.03 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3h8i s VAL 202 Cb 0.09 -2.20 0.07 0.00 0.00 0.00 0.00 36.38 34.34 3h8i s VAL 202 CO 0.81 0.56 -0.05 -1.00 0.00 0.00 0.00 175.10 175.41 3h8i s HIS 203 N -0.13 2.76 -0.15 5.22 3.76 0.79 -4.78 115.29 122.76 3h8i s HIS 203 Ca -0.01 -2.05 -0.18 0.00 -0.15 0.00 0.00 55.06 52.66 3h8i s HIS 203 Cb -0.14 -1.82 -0.04 0.00 1.11 0.00 0.00 32.58 31.70 3h8i s HIS 203 CO 0.03 -0.83 0.50 0.08 -0.85 0.00 0.00 174.74 173.68 3h8i s VAL 204 N 1.27 5.15 -0.13 -0.90 1.01 -1.26 -1.22 120.40 124.32 3h8i s VAL 204 Ca -0.05 0.97 0.03 0.00 0.00 0.00 0.00 61.98 62.93 3h8i s VAL 204 Cb -0.19 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.36 3h8i s VAL 204 CO -0.07 0.26 -0.21 -0.89 0.00 0.00 0.00 175.10 174.19 3h8i s THR 205 N 1.09 2.21 -0.15 3.92 2.01 0.21 -1.28 115.64 123.64 3h8i s THR 205 Ca 0.25 -0.95 -0.07 0.00 0.31 0.00 0.00 61.69 61.23 3h8i s THR 205 Cb -0.15 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 3h8i s THR 205 CO 0.10 0.55 0.11 -0.69 -0.69 0.00 0.00 174.62 173.99 3h8i s VAL 206 N 0.60 5.20 0.02 3.82 1.01 0.90 -0.72 120.40 131.23 3h8i s VAL 206 Ca -0.12 0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.04 3h8i s VAL 206 Cb -0.16 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 3h8i s VAL 206 CO 0.03 0.53 -0.21 0.72 0.00 0.00 0.00 175.10 176.18 3h8i s PHE 207 N -0.32 1.83 -0.02 5.22 -0.12 -0.13 -0.82 117.98 123.62 3h8i s PHE 207 Ca 0.10 -0.37 0.05 0.00 -0.05 0.00 0.00 56.93 56.67 3h8i s PHE 207 Cb -0.12 -1.12 -0.01 0.00 -0.63 0.00 0.00 43.02 41.14 3h8i s PHE 207 CO 0.01 0.05 -0.19 0.45 -0.05 0.00 0.00 175.22 175.50 3h8i s SER 208 N -0.95 2.22 0.54 1.98 0.15 -0.28 -3.43 113.70 113.94 3h8i s SER 208 Ca 0.08 -0.35 0.32 0.00 0.70 0.00 0.00 55.95 56.70 3h8i s SER 208 Cb -0.09 -0.35 1.45 0.00 -1.71 0.00 0.00 66.02 65.32 3h8i s SER 208 CO 0.01 0.21 2.03 1.55 1.20 0.00 0.00 173.24 178.24 3h8i h PRO 209 N 5.82 0.00 0.00 5.44 0.13 -1.68 0.36 132.00 142.07 3h8i h PRO 209 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3h8i h PRO 209 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3h8i h PRO 209 CO 0.48 0.07 0.00 0.41 -0.23 0.00 0.00 178.00 178.73 3h8i n GLY 210 N -0.26 4.00 3.51 1.56 0.00 -1.26 -4.05 105.19 108.69 3h8i n GLY 210 Ca -0.01 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 3h8i n GLY 210 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3h8i s GLU 211 N 4.15 3.74 0.44 1.61 -1.05 -1.26 -0.17 118.70 126.16 3h8i s GLU 211 Ca 0.00 -0.47 -0.24 0.00 -0.15 0.00 0.00 54.97 54.11 3h8i s GLU 211 Cb 0.00 -3.09 -0.08 0.00 -0.44 0.00 0.00 34.13 30.52 3h8i s GLU 211 CO 0.00 0.13 1.19 -0.47 0.95 0.00 0.00 175.26 177.06 3h8i s TYR 212 N 0.71 2.90 -1.16 4.83 5.04 -1.26 -3.84 117.35 124.56 3h8i s TYR 212 Ca 0.01 1.52 -0.21 0.00 -2.44 0.00 0.00 57.07 55.95 3h8i s TYR 212 Cb -0.14 -3.43 -0.00 0.00 0.35 0.00 0.00 41.96 38.74 3h8i s TYR 212 CO 0.02 -1.57 0.76 1.28 -1.34 0.00 0.00 175.55 174.70 3h8i n LEU 213 N -0.29 -2.54 0.00 6.97 4.77 -1.26 -4.85 117.00 119.80 3h8i n LEU 213 Ca 0.06 -1.05 0.06 0.00 -0.03 0.00 0.00 56.01 55.05 3h8i n LEU 213 Cb 0.47 -2.30 0.27 0.00 -2.33 0.00 0.00 43.42 39.52 3h8i n LEU 213 CO 0.50 0.51 0.67 -1.54 -1.33 0.00 0.00 177.39 176.19 3h8i n SER 214 N -2.64 0.00 -0.01 -1.43 3.41 -1.25 -2.22 113.62 109.48 3h8i n SER 214 Ca -0.11 0.35 0.14 0.00 -0.26 0.00 0.00 58.87 58.99 3h8i n SER 214 Cb 0.59 -0.42 0.64 0.00 -0.26 0.00 0.00 64.21 64.77 3h8i n SER 214 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3h8i n ASP 215 N -1.42 0.10 -4.92 4.04 5.75 -1.26 -4.86 116.55 113.98 3h8i n ASP 215 Ca 0.04 0.07 -0.26 0.00 -0.01 0.00 0.00 54.79 54.62 3h8i n ASP 215 Cb 0.12 -0.31 -0.02 0.00 -1.03 0.00 0.00 41.12 39.88 3h8i n ASP 215 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3h8i s LEU 216 N -2.77 4.00 0.77 -2.12 1.43 -0.94 -4.90 118.68 114.15 3h8i s LEU 216 Ca 0.21 0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 53.81 3h8i s LEU 216 Cb 0.19 -3.45 0.05 0.00 0.03 0.00 0.00 46.19 43.01 3h8i s LEU 216 CO 0.51 -0.27 1.08 -0.94 0.23 0.00 0.00 176.35 176.96 3h8i s SER 217 N -3.63 4.63 0.28 2.29 1.04 -1.26 -4.77 113.70 112.27 3h8i s SER 217 Ca 0.42 1.62 -0.01 0.00 0.48 0.00 0.00 55.95 58.46 3h8i s SER 217 Cb -0.10 -2.38 0.47 0.00 0.10 0.00 0.00 66.02 64.11 3h8i s SER 217 CO 0.34 -1.92 1.88 -0.65 0.98 0.00 0.00 173.24 173.87 3h8i h PRO 218 N -1.05 1.08 0.35 4.02 0.11 -1.98 0.63 132.00 135.15 3h8i h PRO 218 Ca -0.45 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3h8i h PRO 218 Cb 1.24 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3h8i h PRO 218 CO 0.55 0.71 -0.17 -0.97 -0.21 0.00 0.00 178.00 177.92 3h8i h ASN 219 N 1.11 -0.40 -0.56 -2.05 -0.73 -1.98 0.22 115.58 111.20 3h8i h ASN 219 Ca 0.43 0.01 0.06 0.00 1.87 0.00 0.00 56.30 58.67 3h8i h ASN 219 Cb 0.23 0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.89 3h8i h ASN 219 CO -0.18 -0.27 0.37 0.28 -0.37 0.00 0.00 177.43 177.26 3h8i h SER 220 N -0.48 0.45 0.07 1.15 0.02 -1.70 0.60 113.55 113.67 3h8i h SER 220 Ca -0.05 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.74 3h8i h SER 220 Cb 0.36 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3h8i h SER 220 CO 0.08 0.30 -0.58 0.03 -1.14 0.00 0.00 176.83 175.51 3h8i h ARG 221 N 0.52 0.52 -0.47 3.45 3.08 -0.43 -1.79 114.38 119.25 3h8i h ARG 221 Ca 0.24 -0.34 -0.11 0.00 0.07 0.00 0.00 59.98 59.84 3h8i h ARG 221 Cb 0.29 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3h8i h ARG 221 CO -0.07 0.95 -0.15 0.87 -1.07 0.00 0.00 179.97 180.51 3h8i h LYS 222 N 0.39 0.90 -0.20 0.04 1.57 0.29 -1.82 116.57 117.75 3h8i h LYS 222 Ca 0.00 -0.34 0.01 0.00 -1.87 0.00 0.00 60.65 58.46 3h8i h LYS 222 Cb 1.13 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 3h8i h LYS 222 CO 0.11 0.99 0.09 0.00 -0.57 0.00 0.00 179.45 180.07 3h8i h ALA 223 N 1.03 0.23 -0.93 3.86 0.00 0.21 -0.57 119.26 123.09 3h8i h ALA 223 Ca 0.12 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3h8i h ALA 223 Cb 0.68 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 3h8i h ALA 223 CO 0.05 -0.33 0.58 0.28 0.00 0.00 0.00 179.25 179.84 3h8i h VAL 224 N 0.20 1.02 -0.45 0.00 2.07 -1.07 -0.80 116.25 117.21 3h8i h VAL 224 Ca 0.08 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 3h8i h VAL 224 Cb 0.02 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.67 3h8i h VAL 224 CO -0.06 0.19 0.03 0.00 0.02 0.00 0.00 177.57 177.74 3h8i h ALA 225 N 1.45 1.19 -0.58 1.67 0.00 -0.60 -1.72 119.26 120.66 3h8i h ALA 225 Ca 0.42 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3h8i h ALA 225 Cb 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3h8i h ALA 225 CO -0.20 0.53 -0.02 1.03 0.00 0.00 0.00 179.25 180.59 3h8i h SER 226 N 0.69 1.02 -0.36 0.00 0.87 0.22 -0.74 113.55 115.26 3h8i h SER 226 Ca 0.14 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 3h8i h SER 226 Cb 0.39 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 3h8i h SER 226 CO 0.01 1.09 0.18 0.40 -0.53 0.00 0.00 176.83 177.98 3h8i h ILE 227 N 0.95 1.16 -0.22 2.23 2.04 -0.88 -0.75 117.51 122.04 3h8i h ILE 227 Ca 0.16 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.59 3h8i h ILE 227 Cb 0.58 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3h8i h ILE 227 CO 0.03 0.17 0.09 1.88 0.00 0.00 0.00 178.15 180.32 3h8i h TYR 228 N 0.44 0.17 -0.21 1.37 0.05 -1.02 -1.00 116.97 116.77 3h8i h TYR 228 Ca 0.12 0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.97 3h8i h TYR 228 Cb 0.11 -0.04 -0.06 0.00 1.01 0.00 0.00 36.73 37.74 3h8i h TYR 228 CO -0.02 0.09 -0.19 -0.97 -1.05 0.00 0.00 178.16 176.03 3h8i h ASN 229 N 0.20 -0.59 -0.66 3.88 -1.24 -0.83 0.19 115.58 116.54 3h8i h ASN 229 Ca 0.09 0.12 0.10 0.00 0.71 0.00 0.00 56.30 57.32 3h8i h ASN 229 Cb 0.04 0.29 -0.08 0.00 0.73 0.00 0.00 38.32 39.31 3h8i h ASN 229 CO -0.08 -0.23 0.27 1.56 -1.29 0.00 0.00 177.43 177.67 3h8i h GLN 230 N -0.19 0.45 0.00 6.67 1.08 -0.87 -1.48 115.11 120.76 3h8i h GLN 230 Ca 0.13 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 3h8i h GLN 230 Cb 0.38 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 3h8i h GLN 230 CO -0.33 0.30 0.00 1.28 -0.95 0.00 0.00 178.83 179.13 3h8i n LEU 231 N -4.96 0.00 -0.67 1.46 4.77 -0.40 -4.89 117.00 112.31 3h8i n LEU 231 Ca 0.10 0.05 -0.07 0.00 -0.03 0.00 0.00 56.01 56.06 3h8i n LEU 231 Cb 0.29 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 3h8i n LEU 231 CO 0.22 -0.00 -0.08 0.61 -1.33 0.00 0.00 177.39 176.81 3h8i n GLY 232 N 1.03 0.48 3.70 -0.72 0.00 -0.26 -5.02 105.19 104.40 3h8i n GLY 232 Ca 0.22 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 3h8i n GLY 232 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h8i s ILE 233 N -2.30 5.28 0.38 -0.61 1.01 0.52 -4.53 121.20 120.93 3h8i s ILE 233 Ca 0.00 0.14 -0.14 0.00 0.00 0.00 0.00 60.65 60.66 3h8i s ILE 233 Cb 0.00 -3.41 -0.08 0.00 0.01 0.00 0.00 42.46 38.98 3h8i s ILE 233 CO 0.00 0.42 0.78 -0.54 0.00 0.00 0.00 174.94 175.60 3h8i s LYS 234 N 0.51 3.92 -0.07 2.79 1.02 -0.41 -3.95 119.74 123.55 3h8i s LYS 234 Ca 0.07 0.63 0.01 0.00 0.02 0.00 0.00 55.97 56.70 3h8i s LYS 234 Cb -0.12 -2.38 0.02 0.00 -0.52 0.00 0.00 37.83 34.83 3h8i s LYS 234 CO -0.00 0.04 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.22 3h8i s LEU 235 N -3.43 1.32 -0.21 3.17 2.96 -1.26 -0.07 118.68 121.17 3h8i s LEU 235 Ca 0.54 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.23 3h8i s LEU 235 Cb -0.10 -0.67 0.04 0.00 0.50 0.00 0.00 46.19 45.97 3h8i s LEU 235 CO 0.24 -0.05 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.42 3h8i s VAL 236 N 1.12 1.68 0.64 1.68 1.01 0.00 -4.97 120.40 121.56 3h8i s VAL 236 Ca -0.07 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.84 3h8i s VAL 236 Cb -0.14 -1.76 0.07 0.00 0.00 0.00 0.00 36.38 34.55 3h8i s VAL 236 CO -0.01 0.14 0.89 -1.38 0.00 0.00 0.00 175.10 174.74 3h8i s HIS 237 N 1.37 2.42 -1.74 5.22 -3.43 -1.26 -1.13 115.29 116.74 3h8i s HIS 237 Ca -0.02 -0.03 -0.19 0.00 -0.80 0.00 0.00 55.06 54.02 3h8i s HIS 237 Cb -0.17 -2.92 0.17 0.00 -1.43 0.00 0.00 32.58 28.24 3h8i s HIS 237 CO -0.08 -1.26 0.68 0.09 -2.00 0.00 0.00 174.74 172.17 3h8i n ASN 238 N -2.61 -2.52 -4.14 7.38 4.13 0.76 -4.80 115.26 113.45 3h8i n ASN 238 Ca 0.10 -1.10 -0.38 0.00 1.68 0.00 0.00 54.58 54.88 3h8i n ASN 238 Cb 0.60 -2.36 -0.09 0.00 -1.54 0.00 0.00 39.78 36.40 3h8i n ASN 238 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3h8i s PHE 239 N -3.36 3.48 -0.65 3.10 5.36 0.12 -4.91 117.98 121.11 3h8i s PHE 239 Ca 0.71 -2.48 -0.23 0.00 -0.96 0.00 0.00 56.93 53.96 3h8i s PHE 239 Cb -0.40 -3.31 0.07 0.00 -0.34 0.00 0.00 43.02 39.04 3h8i s PHE 239 CO 0.96 -0.90 0.98 0.15 -1.46 0.00 0.00 175.22 174.95 3h8i s LYS 240 N 0.33 3.13 0.53 10.12 1.02 -1.26 -3.64 119.74 129.96 3h8i s LYS 240 Ca 0.14 -0.76 -0.19 0.00 0.02 0.00 0.00 55.97 55.18 3h8i s LYS 240 Cb -0.20 -4.21 -0.09 0.00 -0.52 0.00 0.00 37.83 32.81 3h8i s LYS 240 CO -0.04 -1.81 0.62 1.51 -0.92 0.00 0.00 175.35 174.72 3h8i n ILE 241 N 5.96 2.35 0.00 2.17 3.06 -1.26 -2.54 119.36 129.10 3h8i n ILE 241 Ca -0.03 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.72 3h8i n ILE 241 Cb 0.46 -0.75 0.00 0.00 0.54 0.00 0.00 39.64 39.88 3h8i n ILE 241 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 3h8i n LYS 242 N -0.03 2.98 -3.55 9.51 3.00 0.76 -4.58 118.16 126.25 3h8i n LYS 242 Ca 0.12 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.25 3h8i n LYS 242 Cb 0.45 -0.54 -0.06 0.00 0.00 0.00 0.00 35.03 34.88 3h8i n LYS 242 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3h8i s GLU 243 N -0.62 1.00 -0.25 1.64 2.12 0.48 -1.96 118.70 121.11 3h8i s GLU 243 Ca 0.00 0.25 0.02 0.00 0.36 0.00 0.00 54.97 55.60 3h8i s GLU 243 Cb 0.00 0.47 0.05 0.00 0.26 0.00 0.00 34.13 34.91 3h8i s GLU 243 CO 0.00 -0.30 -0.11 0.42 -0.54 0.00 0.00 175.26 174.73 3h8i s ILE 244 N -1.11 2.22 0.60 -3.70 1.01 0.17 0.23 121.20 120.62 3h8i s ILE 244 Ca -0.11 -1.53 0.07 0.00 0.00 0.00 0.00 60.65 59.09 3h8i s ILE 244 Cb -0.01 -2.26 0.09 0.00 0.01 0.00 0.00 42.46 40.29 3h8i s ILE 244 CO 0.09 0.04 0.83 -0.13 0.00 0.00 0.00 174.94 175.77 3h8i s ARG 245 N 1.14 2.18 0.47 2.79 0.52 0.46 -4.41 118.95 122.09 3h8i s ARG 245 Ca -0.07 -1.48 0.19 0.00 -0.52 0.00 0.00 55.73 53.84 3h8i s ARG 245 Cb -0.19 -2.57 1.14 0.00 0.52 0.00 0.00 34.95 33.84 3h8i s ARG 245 CO -0.06 -0.97 2.01 1.49 0.02 0.00 0.00 175.30 177.79 3h8i h GLU 246 N 0.03 0.00 0.00 3.54 4.81 -1.96 -3.30 114.58 117.70 3h8i h GLU 246 Ca -0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3h8i h GLU 246 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3h8i h GLU 246 CO 0.41 0.18 -0.28 0.72 -0.73 0.00 0.00 179.01 179.30 3h8i n HIS 247 N -4.08 0.00 -3.56 0.92 8.25 -1.22 -4.45 115.22 111.08 3h8i n HIS 247 Ca -0.02 -0.27 -0.07 0.00 -0.26 0.00 0.00 57.72 57.09 3h8i n HIS 247 Cb 0.25 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 3h8i n HIS 247 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 3h8i s GLU 248 N -0.75 0.55 -0.12 -0.41 -1.05 -0.75 -1.55 118.70 114.63 3h8i s GLU 248 Ca 0.08 -0.08 -0.01 0.00 -0.15 0.00 0.00 54.97 54.80 3h8i s GLU 248 Cb 0.07 0.25 -0.02 0.00 -0.44 0.00 0.00 34.13 33.99 3h8i s GLU 248 CO 0.01 -0.22 -0.08 0.96 0.95 0.00 0.00 175.26 176.88 3h8i s ILE 249 N -2.12 3.54 -0.07 1.83 -4.36 -0.34 -0.41 121.20 119.27 3h8i s ILE 249 Ca 0.04 -0.50 0.01 0.00 -0.26 0.00 0.00 60.65 59.94 3h8i s ILE 249 Cb -0.01 -2.49 -0.03 0.00 1.25 0.00 0.00 42.46 41.18 3h8i s ILE 249 CO -0.04 0.54 -0.08 -0.69 0.24 0.00 0.00 174.94 174.90 3h8i s VAL 250 N -0.02 3.59 0.65 8.37 1.01 0.14 -1.72 120.40 132.40 3h8i s VAL 250 Ca -0.01 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.49 3h8i s VAL 250 Cb -0.14 -2.47 0.10 0.00 0.00 0.00 0.00 36.38 33.88 3h8i s VAL 250 CO 0.03 0.59 0.89 1.51 0.00 0.00 0.00 175.10 178.12 3h8i s ASP 251 N -0.67 4.71 0.14 3.32 -4.77 -0.21 -0.17 116.67 119.03 3h8i s ASP 251 Ca 0.10 -0.55 -0.28 0.00 -3.30 0.00 0.00 52.55 48.53 3h8i s ASP 251 Cb -0.11 0.06 -0.03 0.00 -1.09 0.00 0.00 42.92 41.75 3h8i s ASP 251 CO 0.02 -1.60 1.58 -0.33 0.70 0.00 0.00 175.17 175.53 3h8i h GLU 252 N -0.20 -0.39 0.00 2.11 5.08 -1.74 -1.31 114.58 118.14 3h8i h GLU 252 Ca -0.34 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3h8i h GLU 252 Cb 1.28 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.61 3h8i h GLU 252 CO 0.41 -0.26 0.08 1.63 -1.00 0.00 0.00 179.01 179.87 3h8i n LYS 253 N -5.42 0.00 -0.71 2.33 5.02 -1.26 -4.71 118.16 113.41 3h8i n LYS 253 Ca -0.02 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3h8i n LYS 253 Cb 0.35 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3h8i n LYS 253 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h8i n GLY 254 N -1.06 0.62 3.82 0.72 0.00 -0.49 -5.05 105.19 103.75 3h8i n GLY 254 Ca 0.00 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 3h8i n GLY 254 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h8i s ASN 255 N -2.17 7.01 0.24 1.61 0.01 -1.25 -4.83 114.94 115.56 3h8i s ASN 255 Ca 0.00 1.53 0.10 0.00 -0.71 0.00 0.00 52.86 53.78 3h8i s ASN 255 Cb 0.00 -2.47 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 3h8i s ASN 255 CO 0.00 -0.14 -0.09 0.42 -1.51 0.00 0.00 177.10 175.78 3h8i s THR 256 N -1.81 3.11 -0.05 1.60 -4.23 -1.26 -1.04 115.64 111.95 3h8i s THR 256 Ca 0.52 -1.93 -0.01 0.00 -1.18 0.00 0.00 61.69 59.09 3h8i s THR 256 Cb -0.14 -2.60 0.03 0.00 1.34 0.00 0.00 72.50 71.13 3h8i s THR 256 CO 0.19 -0.27 0.01 -0.63 -0.54 0.00 0.00 174.62 173.37 3h8i s ILE 257 N -2.11 0.23 0.18 2.99 1.01 -0.70 -4.97 121.20 117.83 3h8i s ILE 257 Ca 0.28 0.14 -0.32 0.00 0.00 0.00 0.00 60.65 60.76 3h8i s ILE 257 Cb -0.07 -0.37 -0.11 0.00 0.01 0.00 0.00 42.46 41.91 3h8i s ILE 257 CO 0.17 0.20 1.73 -2.84 0.00 0.00 0.00 174.94 174.19 3h8i s PRO 258 N 1.56 4.14 -0.27 2.79 0.02 -1.26 -1.20 135.00 140.77 3h8i s PRO 258 Ca -0.02 2.57 -0.03 0.00 0.02 0.00 0.00 61.00 63.55 3h8i s PRO 258 Cb -0.13 -3.20 0.16 0.00 0.02 0.00 0.00 34.50 31.35 3h8i s PRO 258 CO -0.03 -0.75 0.50 0.00 -0.33 0.00 0.00 177.00 176.39 3h8i s ALA 259 N 1.52 -1.72 -0.07 -1.55 0.00 -0.59 -4.41 121.76 114.94 3h8i s ALA 259 Ca 0.75 1.49 0.14 0.00 0.00 0.00 0.00 51.96 54.35 3h8i s ALA 259 Cb -0.48 -1.90 -0.18 0.00 0.00 0.00 0.00 23.12 20.56 3h8i s ALA 259 CO 0.33 -1.24 0.79 -0.44 0.00 0.00 0.00 175.76 175.19 3h8i h ASP 260 N 8.08 0.00 -3.22 0.00 3.32 0.07 -1.98 116.42 122.69 3h8i h ASP 260 Ca -0.21 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.29 3h8i h ASP 260 Cb 1.15 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.34 3h8i h ASP 260 CO 0.25 0.82 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.14 3h8i s ILE 261 N -2.74 1.24 -0.29 0.35 1.01 -0.92 -4.85 121.20 114.99 3h8i s ILE 261 Ca -0.03 -0.45 -0.04 0.00 0.00 0.00 0.00 60.65 60.13 3h8i s ILE 261 Cb 0.08 -1.19 0.03 0.00 0.01 0.00 0.00 42.46 41.40 3h8i s ILE 261 CO 0.82 0.40 0.02 -0.89 0.00 0.00 0.00 174.94 175.29 3h8i s THR 262 N 1.36 3.36 -0.42 2.92 2.01 -1.26 -0.79 115.64 122.83 3h8i s THR 262 Ca -0.00 -1.06 -0.15 0.00 0.31 0.00 0.00 61.69 60.78 3h8i s THR 262 Cb -0.14 -2.82 0.03 0.00 0.01 0.00 0.00 72.50 69.58 3h8i s THR 262 CO -0.06 0.01 0.32 -0.63 -0.69 0.00 0.00 174.62 173.57 3h8i s ILE 263 N 1.36 5.24 -0.02 1.82 1.01 0.88 -2.35 121.20 129.15 3h8i s ILE 263 Ca -0.01 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.03 3h8i s ILE 263 Cb -0.18 -3.96 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 3h8i s ILE 263 CO -0.00 -0.35 -0.21 -0.22 0.00 0.00 0.00 174.94 174.16 3h8i s LEU 264 N 1.72 2.03 -0.49 2.97 2.96 -0.08 -1.90 118.68 125.89 3h8i s LEU 264 Ca 0.06 -0.40 -0.17 0.00 -0.22 0.00 0.00 54.13 53.40 3h8i s LEU 264 Cb -0.19 -1.12 0.07 0.00 0.50 0.00 0.00 46.19 45.45 3h8i s LEU 264 CO 0.10 0.26 0.49 -0.22 -1.32 0.00 0.00 176.35 175.65 3h8i s LEU 265 N -0.44 5.43 1.01 -0.68 0.20 -0.63 -2.68 118.68 120.89 3h8i s LEU 265 Ca 0.07 -1.22 -0.15 0.00 0.69 0.00 0.00 54.13 53.52 3h8i s LEU 265 Cb -0.09 -2.27 0.06 0.00 -0.43 0.00 0.00 46.19 43.45 3h8i s LEU 265 CO -0.00 -0.75 0.26 -2.65 -0.29 0.00 0.00 176.35 172.91 3h8i n PRO 266 N 5.56 -0.71 -2.02 0.98 -0.02 -1.26 -1.01 135.00 136.51 3h8i n PRO 266 Ca -0.11 -0.18 -0.37 0.00 -2.02 0.00 0.00 63.50 60.83 3h8i n PRO 266 Cb 0.44 -1.79 0.02 0.00 -0.02 0.00 0.00 33.50 32.15 3h8i n PRO 266 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3h8i s PRO 267 N -3.55 3.31 -0.24 0.52 0.02 -1.26 -4.22 135.00 129.58 3h8i s PRO 267 Ca 0.56 1.95 -0.10 0.00 0.02 0.00 0.00 61.00 63.43 3h8i s PRO 267 Cb -0.18 -2.21 -0.05 0.00 0.02 0.00 0.00 34.50 32.08 3h8i s PRO 267 CO 0.67 -0.97 0.15 0.71 -0.33 0.00 0.00 177.00 177.23 3h8i s TYR 268 N -1.48 3.29 0.26 6.54 1.51 -0.94 -0.55 117.35 125.97 3h8i s TYR 268 Ca 0.71 0.16 0.03 0.00 -1.01 0.00 0.00 57.07 56.96 3h8i s TYR 268 Cb -0.33 -2.26 -0.06 0.00 -0.11 0.00 0.00 41.96 39.21 3h8i s TYR 268 CO 0.39 0.03 0.03 0.95 -1.11 0.00 0.00 175.55 175.83 3h8i s THR 269 N 1.07 1.05 0.68 -0.71 -4.23 -0.33 -0.38 115.64 112.80 3h8i s THR 269 Ca 0.07 -2.02 -0.14 0.00 -1.18 0.00 0.00 61.69 58.41 3h8i s THR 269 Cb -0.14 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.19 3h8i s THR 269 CO 0.04 -0.18 1.11 -0.83 -0.54 0.00 0.00 174.62 174.23 3h8i s GLY 270 N -3.37 2.09 0.12 3.99 0.00 -0.93 -0.06 107.32 109.17 3h8i s GLY 270 Ca 0.32 0.53 -0.31 0.00 0.00 0.00 0.00 44.72 45.26 3h8i s GLY 270 CO 0.12 0.89 1.64 0.21 0.00 0.00 0.00 173.10 175.95 3h8i s ASN 271 N -2.66 6.57 0.33 1.64 3.84 -1.26 -4.37 114.94 119.04 3h8i s ASN 271 Ca 0.67 2.59 0.08 0.00 0.21 0.00 0.00 52.86 56.41 3h8i s ASN 271 Cb -0.21 -2.58 0.79 0.00 -0.55 0.00 0.00 41.25 38.71 3h8i s ASN 271 CO 0.44 -0.88 1.82 -0.65 -2.79 0.00 0.00 177.10 175.05 3h8i h PRO 272 N 7.61 0.70 0.00 0.43 0.10 -1.91 0.12 132.00 139.05 3h8i h PRO 272 Ca -0.43 -0.04 -0.00 0.00 0.10 0.00 0.00 66.00 65.63 3h8i h PRO 272 Cb 1.20 -0.16 -0.00 0.00 0.10 0.00 0.00 31.00 32.15 3h8i h PRO 272 CO 0.93 0.46 -0.01 0.00 0.10 0.00 0.00 178.00 179.49 3h8i h ALA 273 N 1.61 1.81 0.00 -0.75 0.00 -1.85 -0.31 119.26 119.76 3h8i h ALA 273 Ca 0.51 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.25 3h8i h ALA 273 Cb 0.84 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3h8i h ALA 273 CO -0.28 0.01 -1.31 -0.07 0.00 0.00 0.00 179.25 177.60 3h8i h LEU 274 N 0.00 0.00 -0.86 0.00 3.38 -1.09 -3.11 115.31 113.63 3h8i h LEU 274 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3h8i h LEU 274 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3h8i h LEU 274 CO 0.00 0.61 -0.54 0.11 0.09 0.00 0.00 178.44 178.70 3h8i h LYS 275 N 0.00 0.07 -0.51 1.13 1.57 -0.31 -2.89 116.57 115.63 3h8i h LYS 275 Ca -0.15 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3h8i h LYS 275 Cb 1.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.91 3h8i h LYS 275 CO 0.05 0.60 0.00 0.09 -0.57 0.00 0.00 179.45 179.62 3h8i n ASN 276 N -3.90 2.75 -3.90 0.86 3.02 -0.25 -4.90 115.26 108.94 3h8i n ASN 276 Ca -0.02 -2.03 -0.18 0.00 -0.03 0.00 0.00 54.58 52.33 3h8i n ASN 276 Cb 0.56 -0.35 0.09 0.00 -0.61 0.00 0.00 39.78 39.47 3h8i n ASN 276 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3h8i n SER 277 N 0.94 0.97 -4.49 6.41 7.64 -1.09 -4.65 113.62 119.35 3h8i n SER 277 Ca 0.17 -1.84 -0.58 0.00 1.01 0.00 0.00 58.87 57.63 3h8i n SER 277 Cb 0.44 -0.51 -0.09 0.00 -1.01 0.00 0.00 64.21 63.05 3h8i n SER 277 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3h8i n THR 278 N -2.55 0.12 -0.34 0.44 -1.04 -0.80 -4.79 114.28 105.33 3h8i n THR 278 Ca 0.13 -0.08 0.24 0.00 -2.04 0.00 0.00 64.05 62.30 3h8i n THR 278 Cb 0.45 -0.95 0.48 0.00 -1.82 0.00 0.00 70.33 68.49 3h8i n THR 278 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3h8i h PRO 279 N 8.76 0.31 -0.69 -2.82 0.11 -1.92 0.90 132.00 136.65 3h8i h PRO 279 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3h8i h PRO 279 Cb 1.36 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3h8i h PRO 279 CO 1.02 0.20 0.00 -0.40 -0.21 0.00 0.00 178.00 178.62 3h8i n ASP 280 N -5.04 3.64 -0.05 -2.05 5.75 -1.26 -3.51 116.55 114.02 3h8i n ASP 280 Ca 0.32 -2.46 -0.14 0.00 -0.01 0.00 0.00 54.79 52.49 3h8i n ASP 280 Cb 1.00 -0.56 -0.14 0.00 -1.03 0.00 0.00 41.12 40.39 3h8i n ASP 280 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3h8i n LEU 281 N 0.47 1.58 -4.77 -2.12 7.94 0.31 -4.75 117.00 115.65 3h8i n LEU 281 Ca 0.17 0.16 -0.22 0.00 -1.11 0.00 0.00 56.01 55.01 3h8i n LEU 281 Cb 0.75 -0.33 -0.05 0.00 0.53 0.00 0.00 43.42 44.32 3h8i n LEU 281 CO 0.18 0.65 -0.17 0.68 -1.11 0.00 0.00 177.39 177.62 3h8i s VAL 282 N -2.55 3.37 0.59 1.96 -7.23 -1.23 -4.12 120.40 111.20 3h8i s VAL 282 Ca -0.17 -1.58 0.03 0.00 -1.81 0.00 0.00 61.98 58.45 3h8i s VAL 282 Cb 0.07 -3.08 0.11 0.00 0.56 0.00 0.00 36.38 34.05 3h8i s VAL 282 CO 0.77 -0.21 0.82 -0.90 -0.31 0.00 0.00 175.10 175.26 3h8i n ASP 283 N -1.21 1.39 0.12 4.85 5.68 0.30 -4.62 116.55 123.07 3h8i n ASP 283 Ca -0.03 -2.10 0.09 0.00 -0.50 0.00 0.00 54.79 52.24 3h8i n ASP 283 Cb 0.60 -0.50 0.46 0.00 -1.14 0.00 0.00 41.12 40.54 3h8i n ASP 283 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3h8i n ASP 284 N -2.76 0.46 0.02 -1.12 5.75 -0.53 -2.00 116.55 116.36 3h8i n ASP 284 Ca 0.14 0.70 0.02 0.00 -0.01 0.00 0.00 54.79 55.64 3h8i n ASP 284 Cb 0.52 -0.76 -0.09 0.00 -1.03 0.00 0.00 41.12 39.75 3h8i n ASP 284 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h8i n GLY 285 N -1.14 -1.18 0.00 6.12 0.00 -1.26 -4.86 105.19 102.86 3h8i n GLY 285 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3h8i n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8i n GLY 286 N 1.39 1.29 3.68 -0.02 0.00 -0.85 -2.20 105.19 108.49 3h8i n GLY 286 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 3h8i n GLY 286 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h8i s PHE 287 N -2.00 2.89 -0.43 1.61 0.08 -1.26 -3.99 117.98 114.88 3h8i s PHE 287 Ca 0.00 -0.12 -0.18 0.00 0.12 0.00 0.00 56.93 56.75 3h8i s PHE 287 Cb 0.00 -1.40 0.03 0.00 -0.57 0.00 0.00 43.02 41.08 3h8i s PHE 287 CO 0.00 0.52 0.49 0.42 -0.10 0.00 0.00 175.22 176.55 3h8i s ILE 288 N -1.74 5.02 0.24 0.64 1.01 -0.29 -0.54 121.20 125.54 3h8i s ILE 288 Ca 0.28 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.35 3h8i s ILE 288 Cb -0.09 -4.10 -0.09 0.00 0.01 0.00 0.00 42.46 38.19 3h8i s ILE 288 CO 0.19 -0.50 1.15 -2.16 0.00 0.00 0.00 174.94 173.62 3h8i s PRO 289 N 2.30 4.57 0.15 2.79 0.04 -1.26 -2.39 135.00 141.21 3h8i s PRO 289 Ca 0.14 1.85 0.03 0.00 0.04 0.00 0.00 61.00 63.06 3h8i s PRO 289 Cb -0.17 -3.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 3h8i s PRO 289 CO 0.14 0.07 0.11 0.25 0.04 0.00 0.00 177.00 177.61 3h8i n THR 290 N 1.72 0.00 -3.12 1.26 -2.24 -1.26 -2.42 114.28 108.22 3h8i n THR 290 Ca 0.01 -1.06 -0.12 0.00 -2.27 0.00 0.00 64.05 60.61 3h8i n THR 290 Cb 0.45 0.50 0.04 0.00 -2.10 0.00 0.00 70.33 69.21 3h8i n THR 290 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3h8i n ASP 291 N -2.29 1.39 0.00 3.42 5.68 -0.59 -0.78 116.55 123.38 3h8i n ASP 291 Ca 0.02 -1.96 0.05 0.00 -0.50 0.00 0.00 54.79 52.40 3h8i n ASP 291 Cb 0.27 -0.23 0.27 0.00 -1.14 0.00 0.00 41.12 40.29 3h8i n ASP 291 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3h8i n LEU 292 N 0.00 0.00 -0.81 -2.12 4.77 -1.25 -1.30 117.00 116.29 3h8i n LEU 292 Ca 0.09 0.27 0.12 0.00 -0.03 0.00 0.00 56.01 56.46 3h8i n LEU 292 Cb 0.37 -0.27 0.19 0.00 -2.33 0.00 0.00 43.42 41.38 3h8i n LEU 292 CO 0.23 -0.18 0.66 0.59 -1.33 0.00 0.00 177.39 177.37 3h8i n ASN 293 N -1.27 2.56 0.00 -1.43 3.02 -1.26 -4.69 115.26 112.18 3h8i n ASN 293 Ca 0.05 -1.83 0.00 0.00 -0.03 0.00 0.00 54.58 52.77 3h8i n ASN 293 Cb 0.08 0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 3h8i n ASN 293 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3h8i n MET 294 N 0.95 0.00 -3.05 3.52 2.81 -0.42 -4.19 117.12 116.73 3h8i n MET 294 Ca 0.15 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.64 3h8i n MET 294 Cb 0.53 -2.72 -0.05 0.00 -0.71 0.00 0.00 33.22 30.27 3h8i n MET 294 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3h8i s VAL 295 N -2.43 4.95 0.41 2.03 1.01 -1.26 -1.29 120.40 123.81 3h8i s VAL 295 Ca 0.00 1.46 -0.24 0.00 0.00 0.00 0.00 61.98 63.20 3h8i s VAL 295 Cb 0.00 -4.04 -0.11 0.00 0.00 0.00 0.00 36.38 32.22 3h8i s VAL 295 CO 0.00 0.31 0.84 -0.24 0.00 0.00 0.00 175.10 176.01 3h8i n SER 296 N 3.37 0.48 0.00 3.32 2.88 0.23 -1.54 113.62 122.36 3h8i n SER 296 Ca -0.02 1.00 0.11 0.00 -1.33 0.00 0.00 58.87 58.62 3h8i n SER 296 Cb 0.51 -1.26 0.50 0.00 -0.75 0.00 0.00 64.21 63.21 3h8i n SER 296 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3h8i n ILE 297 N -0.59 0.42 -0.05 2.46 -5.35 -1.02 -4.00 119.36 111.23 3h8i n ILE 297 Ca 0.10 0.10 -0.09 0.00 -0.27 0.00 0.00 62.75 62.60 3h8i n ILE 297 Cb 0.39 -0.73 -0.04 0.00 -1.74 0.00 0.00 39.64 37.51 3h8i n ILE 297 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 3h8i n LYS 298 N -1.42 0.24 -3.93 6.28 3.00 -1.26 -4.97 118.16 116.09 3h8i n LYS 298 Ca 0.07 0.08 -0.34 0.00 -0.00 0.00 0.00 58.31 58.12 3h8i n LYS 298 Cb 0.23 -1.04 -0.14 0.00 0.00 0.00 0.00 35.03 34.08 3h8i n LYS 298 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 3h8i s TYR 299 N -2.20 3.41 -1.65 5.64 2.02 -1.26 -5.00 117.35 118.32 3h8i s TYR 299 Ca -0.14 -2.25 0.03 0.00 -0.37 0.00 0.00 57.07 54.33 3h8i s TYR 299 Cb 0.05 -2.42 0.14 0.00 -0.40 0.00 0.00 41.96 39.33 3h8i s TYR 299 CO 0.21 -0.87 0.80 -0.40 -1.57 0.00 0.00 175.55 173.71 3h8i n ASP 300 N 4.52 0.00 -0.35 2.29 5.75 -1.26 -1.90 116.55 125.59 3h8i n ASP 300 Ca -0.08 0.12 0.04 0.00 -0.01 0.00 0.00 54.79 54.86 3h8i n ASP 300 Cb 0.42 -0.18 0.11 0.00 -1.03 0.00 0.00 41.12 40.44 3h8i n ASP 300 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3h8i n ASN 301 N -1.18 2.62 -4.38 -1.12 6.94 -1.26 -4.90 115.26 111.97 3h8i n ASN 301 Ca 0.02 -2.25 -0.34 0.00 -0.02 0.00 0.00 54.58 51.98 3h8i n ASN 301 Cb 0.02 -0.20 -0.13 0.00 -2.36 0.00 0.00 39.78 37.10 3h8i n ASN 301 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3h8i s VAL 302 N -1.44 3.50 -0.06 3.53 1.01 -0.80 -1.86 120.40 124.29 3h8i s VAL 302 Ca 0.18 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.70 3h8i s VAL 302 Cb 0.12 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3h8i s VAL 302 CO 0.07 0.46 -0.11 -0.31 0.00 0.00 0.00 175.10 175.21 3h8i s TYR 303 N 0.92 2.80 -0.09 5.22 2.02 0.87 -0.60 117.35 128.49 3h8i s TYR 303 Ca -0.01 -0.12 0.05 0.00 -0.37 0.00 0.00 57.07 56.62 3h8i s TYR 303 Cb -0.15 -1.67 -0.00 0.00 -0.40 0.00 0.00 41.96 39.74 3h8i s TYR 303 CO 0.01 0.22 -0.24 0.00 -1.57 0.00 0.00 175.55 173.97 3h8i s ALA 304 N -0.69 2.14 0.13 3.71 0.00 -0.42 0.10 121.76 126.74 3h8i s ALA 304 Ca 0.10 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 51.14 3h8i s ALA 304 Cb -0.11 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 3h8i s ALA 304 CO 0.01 0.32 -0.13 0.14 0.00 0.00 0.00 175.76 176.10 3h8i s VAL 305 N 0.21 1.29 0.00 0.00 -7.23 0.68 -4.74 120.40 110.61 3h8i s VAL 305 Ca -0.15 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 3h8i s VAL 305 Cb -0.17 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.13 3h8i s VAL 305 CO 0.07 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 174.94 3h8i n GLY 306 N 0.26 1.90 0.35 2.32 0.00 -1.26 -3.37 105.19 105.38 3h8i n GLY 306 Ca -0.13 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.47 3h8i n GLY 306 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h8i h ASP 307 N 9.44 0.33 0.67 1.61 5.19 -1.91 -1.90 116.42 129.85 3h8i h ASP 307 Ca 0.00 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.40 3h8i h ASP 307 Cb 0.00 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.44 3h8i h ASP 307 CO 0.00 0.20 -0.08 0.00 -3.12 0.00 0.00 179.24 176.24 3h8i h ALA 308 N 1.72 1.08 -2.74 3.45 0.00 -1.64 -3.40 119.26 117.74 3h8i h ALA 308 Ca 0.25 -0.08 -0.50 0.00 0.00 0.00 0.00 54.91 54.59 3h8i h ALA 308 Cb 0.50 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3h8i h ALA 308 CO -0.06 0.10 0.32 1.21 0.00 0.00 0.00 179.25 180.82 3h8i s ASN 309 N -5.86 7.60 0.41 0.00 3.84 -0.71 -1.14 114.94 119.08 3h8i s ASN 309 Ca -0.01 1.90 0.09 0.00 0.21 0.00 0.00 52.86 55.04 3h8i s ASN 309 Cb 0.11 -2.59 0.86 0.00 -0.55 0.00 0.00 41.25 39.08 3h8i s ASN 309 CO 0.56 0.16 2.01 0.28 -2.79 0.00 0.00 177.10 177.32 3h8i h SER 310 N 4.21 0.33 1.36 -4.21 0.02 -1.75 -3.14 113.55 110.37 3h8i h SER 310 Ca -0.45 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3h8i h SER 310 Cb 1.20 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.66 3h8i h SER 310 CO 0.68 0.33 0.00 1.15 -1.14 0.00 0.00 176.83 177.85 3h8i n MET 311 N -4.40 0.25 -2.48 3.45 0.00 -1.26 -4.59 117.12 108.09 3h8i n MET 311 Ca 0.01 0.24 -0.40 0.00 0.00 0.00 0.00 57.70 57.55 3h8i n MET 311 Cb 0.15 -1.81 -0.02 0.00 0.00 0.00 0.00 33.22 31.54 3h8i n MET 311 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3h8i s THR 312 N -3.13 3.98 -0.06 3.17 -4.23 -1.19 -4.80 115.64 109.37 3h8i s THR 312 Ca 0.10 -1.53 -0.02 0.00 -1.18 0.00 0.00 61.69 59.06 3h8i s THR 312 Cb 0.12 -5.04 0.03 0.00 1.34 0.00 0.00 72.50 68.94 3h8i s THR 312 CO 0.57 -1.82 0.02 -0.69 -0.54 0.00 0.00 174.62 172.15 3h8i s VAL 313 N 5.57 0.25 1.04 2.29 1.01 -1.26 -3.52 120.40 125.77 3h8i s VAL 313 Ca 0.55 0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.61 3h8i s VAL 313 Cb 0.02 -0.44 0.21 0.00 0.00 0.00 0.00 36.38 36.17 3h8i s VAL 313 CO 0.06 0.24 1.07 -2.84 0.00 0.00 0.00 175.10 173.62 3h8i s PRO 314 N 2.02 0.11 -1.06 2.72 0.02 -1.26 -4.52 135.00 133.03 3h8i s PRO 314 Ca 0.05 0.83 -0.21 0.00 0.02 0.00 0.00 61.00 61.69 3h8i s PRO 314 Cb -0.12 -1.67 0.07 0.00 0.02 0.00 0.00 34.50 32.79 3h8i s PRO 314 CO -0.05 -3.03 1.47 0.15 -0.33 0.00 0.00 177.00 175.21 3h8i s LYS 315 N -4.72 3.67 -0.12 5.54 -0.14 -0.20 -4.97 119.74 118.81 3h8i s LYS 315 Ca 0.66 -1.38 -0.01 0.00 -1.36 0.00 0.00 55.97 53.88 3h8i s LYS 315 Cb -0.22 -5.34 -0.02 0.00 -1.68 0.00 0.00 37.83 30.58 3h8i s LYS 315 CO 0.60 -2.16 -0.09 -0.51 -0.76 0.00 0.00 175.35 172.44 3h8i s LEU 316 N 4.52 3.00 0.31 3.17 1.43 -1.26 -4.85 118.68 124.99 3h8i s LEU 316 Ca 0.46 -0.19 0.08 0.00 -1.03 0.00 0.00 54.13 53.45 3h8i s LEU 316 Cb 0.00 -1.68 0.85 0.00 0.03 0.00 0.00 46.19 45.39 3h8i s LEU 316 CO -0.07 0.22 1.72 1.23 0.23 0.00 0.00 176.35 179.68 3h8i h GLY 317 N 6.31 1.80 2.00 -3.19 0.00 -1.99 0.14 103.07 108.14 3h8i h GLY 317 Ca -0.34 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 3h8i h GLY 317 CO 0.57 -0.26 -0.10 0.10 0.00 0.00 0.00 176.54 176.84 3h8i h TYR 318 N 0.51 0.00 0.02 5.60 -0.00 -1.99 -0.66 116.97 120.46 3h8i h TYR 318 Ca 0.62 0.00 -0.21 0.00 0.00 0.00 0.00 58.73 59.14 3h8i h TYR 318 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.91 3h8i h TYR 318 CO -0.05 0.10 -0.96 -0.07 -0.00 0.00 0.00 178.16 177.19 3h8i h LEU 319 N 0.00 0.19 -0.22 0.10 3.38 -1.17 -1.32 115.31 116.27 3h8i h LEU 319 Ca -0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3h8i h LEU 319 Cb 0.83 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3h8i h LEU 319 CO 0.01 1.04 0.10 0.00 0.09 0.00 0.00 178.44 179.68 3h8i h ALA 320 N 0.94 0.29 -0.62 1.53 0.00 -0.49 0.17 119.26 121.08 3h8i h ALA 320 Ca -0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3h8i h ALA 320 Cb 1.64 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 3h8i h ALA 320 CO 0.14 -0.13 0.27 0.28 0.00 0.00 0.00 179.25 179.80 3h8i h VAL 321 N 0.22 1.23 0.48 0.00 2.07 -1.12 0.14 116.25 119.27 3h8i h VAL 321 Ca 0.08 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 3h8i h VAL 321 Cb 0.15 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3h8i h VAL 321 CO -0.01 0.27 -0.23 -0.03 0.02 0.00 0.00 177.57 177.59 3h8i h MET 322 N 0.87 -0.62 -0.48 1.57 -1.53 -0.89 -2.09 114.93 111.76 3h8i h MET 322 Ca 0.21 0.04 -0.03 0.00 -3.44 0.00 0.00 59.70 56.48 3h8i h MET 322 Cb 0.18 0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 31.34 3h8i h MET 322 CO -0.02 -0.40 0.17 1.79 0.14 0.00 0.00 176.91 178.58 3h8i h THR 323 N -0.67 1.19 -0.37 -0.77 1.35 -0.57 -2.08 112.91 110.98 3h8i h THR 323 Ca -0.07 -0.62 0.03 0.00 -0.55 0.00 0.00 66.41 65.21 3h8i h THR 323 Cb 0.51 0.65 -0.03 0.00 -1.73 0.00 0.00 68.15 67.54 3h8i h THR 323 CO 0.11 0.24 0.17 1.23 -0.25 0.00 0.00 175.52 177.01 3h8i h GLY 324 N 0.85 0.50 0.89 5.82 0.00 -0.53 -1.23 103.07 109.37 3h8i h GLY 324 Ca 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 3h8i h GLY 324 CO -0.01 0.07 -0.07 3.21 0.00 0.00 0.00 176.54 179.74 3h8i h ARG 325 N 0.35 -0.19 -0.24 4.80 3.08 -1.00 -2.49 114.38 118.68 3h8i h ARG 325 Ca 0.16 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.28 3h8i h ARG 325 Cb 0.10 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.13 3h8i h ARG 325 CO -0.13 -0.03 -0.17 0.82 -1.07 0.00 0.00 179.97 179.38 3h8i h ILE 326 N -0.31 0.52 -0.46 2.04 2.04 -1.22 -0.48 117.51 119.63 3h8i h ILE 326 Ca -0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.93 3h8i h ILE 326 Cb 0.24 0.52 -0.08 0.00 -0.74 0.00 0.00 36.82 36.76 3h8i h ILE 326 CO 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 178.15 178.11 3h8i h ALA 327 N 0.97 0.35 -0.27 1.87 0.00 -1.20 -0.33 119.26 120.67 3h8i h ALA 327 Ca 0.14 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 3h8i h ALA 327 Cb 0.37 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3h8i h ALA 327 CO -0.34 -0.43 -0.06 0.00 0.00 0.00 0.00 179.25 178.42 3h8i h ALA 328 N 1.45 1.41 0.16 0.00 0.00 -0.92 -1.80 119.26 119.55 3h8i h ALA 328 Ca 0.23 -0.21 -0.31 0.00 0.00 0.00 0.00 54.91 54.62 3h8i h ALA 328 Cb 0.35 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 18.04 3h8i h ALA 328 CO -0.45 0.41 -1.30 1.96 0.00 0.00 0.00 179.25 179.87 3h8i h GLN 329 N 0.40 0.56 -0.42 0.00 4.20 -0.34 -2.00 115.11 117.51 3h8i h GLN 329 Ca 0.08 -0.81 -0.03 0.00 0.06 0.00 0.00 58.65 57.95 3h8i h GLN 329 Cb 0.36 0.28 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 3h8i h GLN 329 CO 0.02 1.37 0.13 1.25 -0.67 0.00 0.00 178.83 180.93 3h8i h HIS 330 N 0.22 0.68 -0.23 2.96 2.76 -0.99 -2.59 115.15 117.97 3h8i h HIS 330 Ca -0.20 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 57.89 3h8i h HIS 330 Cb 1.98 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 30.74 3h8i h HIS 330 CO 0.11 0.63 0.09 1.25 -1.30 0.00 0.00 177.93 178.71 3h8i h LEU 331 N 0.54 0.32 -0.85 0.26 5.85 -1.38 -2.56 115.31 117.48 3h8i h LEU 331 Ca 0.14 -0.18 0.17 0.00 0.84 0.00 0.00 57.88 58.85 3h8i h LEU 331 Cb 0.27 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.11 3h8i h LEU 331 CO -0.00 0.41 0.41 0.00 -0.34 0.00 0.00 178.44 178.92 3h8i h ALA 332 N 0.92 1.31 -0.61 1.25 0.00 -1.25 0.11 119.26 120.98 3h8i h ALA 332 Ca 0.08 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3h8i h ALA 332 Cb 0.20 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3h8i h ALA 332 CO -0.01 -0.18 0.37 -0.91 0.00 0.00 0.00 179.25 178.52 3h8i h ASN 333 N 0.53 0.74 -0.48 0.00 2.35 -1.18 -0.17 115.58 117.36 3h8i h ASN 333 Ca 0.49 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 56.18 3h8i h ASN 333 Cb 0.78 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 3h8i h ASN 333 CO -0.42 0.58 0.30 0.03 -1.65 0.00 0.00 177.43 176.27 3h8i h ARG 334 N 0.83 0.66 -0.88 0.81 3.08 -0.47 -1.64 114.38 116.77 3h8i h ARG 334 Ca 0.22 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 3h8i h ARG 334 Cb -0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3h8i h ARG 334 CO -0.04 0.46 0.02 1.28 -1.07 0.00 0.00 179.97 180.62 3h8i n LEU 335 N -4.44 2.75 -0.27 3.04 4.77 -0.21 -4.87 117.00 117.77 3h8i n LEU 335 Ca 0.04 -1.39 -0.04 0.00 -0.03 0.00 0.00 56.01 54.59 3h8i n LEU 335 Cb 0.07 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.58 3h8i n LEU 335 CO 0.36 0.41 -0.03 0.61 -1.33 0.00 0.00 177.39 177.40 3h8i n GLY 336 N 0.18 0.66 3.02 -0.72 0.00 -0.62 -5.01 105.19 102.70 3h8i n GLY 336 Ca 0.10 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 3h8i n GLY 336 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h8i s VAL 337 N -2.12 3.30 -0.43 1.61 1.01 -0.15 -5.00 120.40 118.62 3h8i s VAL 337 Ca 0.00 -3.38 -0.44 0.00 0.00 0.00 0.00 61.98 58.17 3h8i s VAL 337 Cb 0.00 -3.18 -0.18 0.00 0.00 0.00 0.00 36.38 33.02 3h8i s VAL 337 CO 0.00 -0.89 1.79 -2.65 0.00 0.00 0.00 175.10 173.35 3h8i n PRO 338 N 3.01 0.41 -3.87 2.72 -0.02 -1.26 -3.12 135.00 132.86 3h8i n PRO 338 Ca 0.10 0.14 -0.11 0.00 -2.02 0.00 0.00 63.50 61.61 3h8i n PRO 338 Cb 0.35 -1.74 -0.11 0.00 -0.02 0.00 0.00 33.50 31.98 3h8i n PRO 338 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3h8i s THR 339 N 4.07 0.05 0.02 3.45 2.01 -1.26 -4.96 115.64 119.02 3h8i s THR 339 Ca 1.06 -0.44 -0.30 0.00 0.31 0.00 0.00 61.69 62.32 3h8i s THR 339 Cb -1.33 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 3h8i s THR 339 CO 0.72 -0.24 1.04 -0.75 -0.69 0.00 0.00 174.62 174.69 3h8i s LYS 340 N -0.79 4.53 -0.39 4.92 2.20 -1.26 -4.85 119.74 124.09 3h8i s LYS 340 Ca -0.09 1.51 -0.14 0.00 -0.36 0.00 0.00 55.97 56.89 3h8i s LYS 340 Cb -0.05 -3.43 0.02 0.00 -1.51 0.00 0.00 37.83 32.86 3h8i s LYS 340 CO 0.01 -0.10 0.28 0.08 -0.36 0.00 0.00 175.35 175.26 3h8i s VAL 341 N 0.99 5.15 0.57 4.02 1.01 -1.26 -4.89 120.40 125.99 3h8i s VAL 341 Ca 0.54 -0.62 -0.19 0.00 0.00 0.00 0.00 61.98 61.70 3h8i s VAL 341 Cb -0.23 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 3h8i s VAL 341 CO 0.28 -0.25 0.96 0.47 0.00 0.00 0.00 175.10 176.56 3h8i n ASP 342 N 5.13 0.79 -4.79 3.32 8.00 -1.26 -4.97 116.55 122.77 3h8i n ASP 342 Ca -0.11 0.84 -0.39 0.00 0.71 0.00 0.00 54.79 55.84 3h8i n ASP 342 Cb 0.47 -1.38 -0.06 0.00 -0.02 0.00 0.00 41.12 40.14 3h8i n ASP 342 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3h8i s LYS 343 N -2.60 4.38 -0.10 -1.24 -0.14 -1.26 -4.90 119.74 113.89 3h8i s LYS 343 Ca 0.73 0.93 -0.17 0.00 -1.36 0.00 0.00 55.97 56.10 3h8i s LYS 343 Cb -0.44 -3.27 -0.05 0.00 -1.68 0.00 0.00 37.83 32.40 3h8i s LYS 343 CO 0.49 0.55 0.45 -0.47 -0.76 0.00 0.00 175.35 175.61 3h8i s TYR 344 N -0.93 3.55 0.06 3.18 5.04 -1.26 -5.08 117.35 121.92 3h8i s TYR 344 Ca 0.33 0.89 0.09 0.00 -2.44 0.00 0.00 57.07 55.93 3h8i s TYR 344 Cb -0.21 -2.48 -0.03 0.00 0.35 0.00 0.00 41.96 39.59 3h8i s TYR 344 CO 0.22 0.27 -0.23 0.71 -1.34 0.00 0.00 175.55 175.18 3h8i s TYR 345 N 0.25 2.42 0.75 4.97 1.51 -1.26 -5.12 117.35 120.86 3h8i s TYR 345 Ca 0.25 -0.34 -0.11 0.00 -1.01 0.00 0.00 57.07 55.85 3h8i s TYR 345 Cb -0.15 -1.39 0.04 0.00 -0.11 0.00 0.00 41.96 40.35 3h8i s TYR 345 CO 0.10 0.23 1.09 -1.25 -1.11 0.00 0.00 175.55 174.61 3h8i s PRO 346 N -1.52 2.52 0.18 -1.71 0.04 -1.26 -4.98 135.00 128.27 3h8i s PRO 346 Ca 0.14 0.65 0.02 0.00 0.04 0.00 0.00 61.00 61.85 3h8i s PRO 346 Cb -0.10 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.53 3h8i s PRO 346 CO 0.04 -1.31 1.42 1.79 0.04 0.00 0.00 177.00 178.98 3h8i h THR 347 N -0.87 1.46 0.00 1.26 1.35 -1.90 -3.47 112.91 110.73 3h8i h THR 347 Ca -0.46 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 62.98 3h8i h THR 347 Cb 1.25 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 70.00 3h8i h THR 347 CO 0.60 0.71 0.00 -0.38 -0.25 0.00 0.00 175.52 176.20 3h8i n ILE 348 N -3.72 0.00 -3.73 6.82 2.08 -1.26 -4.81 119.36 114.74 3h8i n ILE 348 Ca -0.03 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.14 3h8i n ILE 348 Cb 0.75 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 39.56 3h8i n ILE 348 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 3h8i s VAL 349 N 0.00 0.05 -0.28 1.39 -7.23 -1.26 -4.90 120.40 108.16 3h8i s VAL 349 Ca 0.00 -0.40 -0.24 0.00 -1.81 0.00 0.00 61.98 59.52 3h8i s VAL 349 Cb 0.00 -0.66 0.00 0.00 0.56 0.00 0.00 36.38 36.28 3h8i s VAL 349 CO 0.00 -0.22 0.83 0.00 -0.31 0.00 0.00 175.10 175.40 3h8i h VAL 351 N 5.55 0.00 0.00 0.00 -1.51 -1.96 -0.65 116.25 117.67 3h8i h VAL 351 Ca -0.23 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 3h8i h VAL 351 Cb 1.09 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 3h8i h VAL 351 CO 0.90 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.24 3h8i n ALA 352 N -1.85 1.72 0.21 5.19 0.00 -1.26 -1.85 120.51 122.67 3h8i n ALA 352 Ca -0.02 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.45 3h8i n ALA 352 Cb 0.17 -1.24 0.44 0.00 0.00 0.00 0.00 19.45 18.81 3h8i n ALA 352 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3h8i h ASP 353 N 0.00 0.00 -3.53 0.00 5.19 -1.45 -3.41 116.42 113.21 3h8i h ASP 353 Ca 0.00 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.79 3h8i h ASP 353 Cb 0.24 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 39.63 3h8i h ASP 353 CO 0.00 0.27 0.27 0.21 -3.12 0.00 0.00 179.24 176.87 3h8i s ASN 354 N -6.30 6.51 0.61 6.45 3.84 -0.77 -4.94 114.94 120.34 3h8i s ASN 354 Ca -0.00 0.30 0.39 0.00 0.21 0.00 0.00 52.86 53.76 3h8i s ASN 354 Cb 0.11 -2.36 1.96 0.00 -0.55 0.00 0.00 41.25 40.41 3h8i s ASN 354 CO 0.65 -0.65 2.21 1.55 -2.79 0.00 0.00 177.10 178.07 3h8i h PRO 355 N 8.42 0.00 0.00 0.43 0.13 -1.86 -1.93 132.00 137.19 3h8i h PRO 355 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3h8i h PRO 355 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3h8i h PRO 355 CO 0.87 0.01 0.00 0.66 -0.23 0.00 0.00 178.00 179.31 3h8i n TYR 356 N -3.15 0.00 1.43 1.56 4.01 -1.26 -5.17 117.16 114.57 3h8i n TYR 356 Ca -0.02 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.86 3h8i n TYR 356 Cb 0.17 0.00 0.46 0.00 -0.31 0.00 0.00 39.34 39.66 3h8i n TYR 356 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49