#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i n LYS 2 N 0.00 0.00 0.00 0.03 5.02 -1.26 -4.30 118.16 117.64 3i8i n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i8i n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3i8i n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i8i n GLY 3 N 0.68 1.09 0.02 0.72 0.00 -1.26 -3.78 105.19 102.66 3i8i n GLY 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i8i n GLY 3 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i8i n ILE 4 N 0.00 -1.02 -4.15 -0.61 2.08 -1.26 -4.18 119.36 110.22 3i8i n ILE 4 Ca 0.00 0.00 -0.32 0.00 0.56 0.00 0.00 62.75 62.99 3i8i n ILE 4 Cb 0.00 -1.02 -0.08 0.00 -0.75 0.00 0.00 39.64 37.80 3i8i n ILE 4 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3i8i s LEU 5 N -0.94 3.71 0.35 1.39 1.43 -1.26 -2.27 118.68 121.09 3i8i s LEU 5 Ca 0.00 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 3i8i s LEU 5 Cb 0.00 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.99 3i8i s LEU 5 CO 0.00 0.24 0.49 -0.83 0.23 0.00 0.00 176.35 176.48 3i8i s GLY 6 N -1.88 1.50 0.00 -3.19 0.00 -0.87 -4.26 107.32 98.62 3i8i s GLY 6 Ca 0.23 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.44 3i8i s GLY 6 CO 0.15 -0.99 0.00 3.33 0.00 0.00 0.00 173.10 175.59 3i8i n VAL 7 N -0.58 0.00 0.00 1.40 0.24 -1.07 -1.07 118.33 117.26 3i8i n VAL 7 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 3i8i n VAL 7 Cb 0.61 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 3i8i n VAL 7 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3i8i n LYS 8 N 0.00 0.00 -0.07 7.34 4.81 -1.23 -3.94 118.16 125.07 3i8i n LYS 8 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 3i8i n LYS 8 Cb 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 34.92 3i8i n LYS 8 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3i8i h VAL 9 N 0.00 1.76 0.00 3.15 2.07 0.43 0.61 116.25 124.27 3i8i h VAL 9 Ca 0.00 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.17 3i8i h VAL 9 Cb 0.00 3.35 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 3i8i h VAL 9 CO 0.00 0.60 0.00 0.61 0.02 0.00 0.00 177.57 178.80 3i8i n GLY 10 N 1.60 -1.12 3.50 2.17 0.00 -1.01 -4.67 105.19 105.66 3i8i n GLY 10 Ca -0.11 -1.16 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 3i8i n GLY 10 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i8i s MET 11 N -1.86 1.71 0.00 1.61 -1.94 -1.26 0.20 119.30 117.77 3i8i s MET 11 Ca 0.00 -1.88 0.00 0.00 -1.71 0.00 0.00 55.69 52.10 3i8i s MET 11 Cb 0.00 -1.46 0.00 0.00 2.01 0.00 0.00 34.83 35.38 3i8i s MET 11 CO 0.00 0.08 0.00 -2.37 -0.01 0.00 0.00 175.02 172.72 3i8i n THR 12 N -0.71 0.00 -1.90 2.05 5.66 -0.47 -4.95 114.28 113.96 3i8i n THR 12 Ca -0.05 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.66 3i8i n THR 12 Cb 0.64 0.00 0.11 0.00 -1.55 0.00 0.00 70.33 69.52 3i8i n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i8i s ARG 13 N -1.47 1.71 0.00 1.09 1.70 -1.26 -0.86 118.95 119.86 3i8i s ARG 13 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 55.73 55.28 3i8i s ARG 13 Cb 0.00 -1.93 0.00 0.00 -0.57 0.00 0.00 34.95 32.45 3i8i s ARG 13 CO 0.00 -1.75 0.00 1.51 -1.08 0.00 0.00 175.30 173.98 3i8i n ILE 14 N -3.41 0.00 0.00 4.99 3.06 -1.26 -4.75 119.36 117.99 3i8i n ILE 14 Ca 0.09 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.34 3i8i n ILE 14 Cb 0.61 -0.36 0.00 0.00 0.54 0.00 0.00 39.64 40.42 3i8i n ILE 14 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 3i8i n PHE 15 N -1.11 0.00 -3.47 9.51 3.72 -1.24 -4.75 117.46 120.13 3i8i n PHE 15 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 3i8i n PHE 15 Cb 0.00 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.45 3i8i n PHE 15 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3i8i s ARG 16 N -2.48 0.32 -1.07 -1.08 1.70 -0.96 -4.82 118.95 110.56 3i8i s ARG 16 Ca 0.00 0.70 -0.01 0.00 -0.47 0.00 0.00 55.73 55.95 3i8i s ARG 16 Cb 0.00 -0.21 0.00 0.00 -0.57 0.00 0.00 34.95 34.17 3i8i s ARG 16 CO 0.00 -0.49 0.90 -0.25 -1.08 0.00 0.00 175.30 174.38 3i8i n ASP 17 N 5.37 -2.54 0.00 -2.89 10.43 -1.26 -4.34 116.55 121.33 3i8i n ASP 17 Ca -0.05 -0.54 0.00 0.00 2.57 0.00 0.00 54.79 56.77 3i8i n ASP 17 Cb 0.50 -4.56 0.00 0.00 1.84 0.00 0.00 41.12 38.90 3i8i n ASP 17 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3i8i n ASP 18 N -2.82 0.00 -1.87 -2.24 8.00 -1.26 -4.97 116.55 111.39 3i8i n ASP 18 Ca -0.22 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.28 3i8i n ASP 18 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 3i8i n ASP 18 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i8i n ARG 19 N 0.48 -4.22 -0.45 -1.24 1.74 -1.26 -4.66 116.66 107.04 3i8i n ARG 19 Ca 0.00 3.03 0.00 0.00 -0.77 0.00 0.00 57.85 60.11 3i8i n ARG 19 Cb 0.00 -3.45 0.00 0.00 -1.02 0.00 0.00 32.46 27.99 3i8i n ARG 19 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i8i n ALA 20 N 0.79 0.00 -0.39 7.54 0.00 -1.26 -2.26 120.51 124.93 3i8i n ALA 20 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3i8i n ALA 20 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3i8i n ALA 20 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i8i n VAL 21 N -0.45 0.00 -3.23 0.00 0.24 -1.26 -4.50 118.33 109.12 3i8i n VAL 21 Ca 0.00 0.03 -0.02 0.00 -2.04 0.00 0.00 64.34 62.31 3i8i n VAL 21 Cb 0.00 -0.11 -0.04 0.00 -1.47 0.00 0.00 33.84 32.23 3i8i n VAL 21 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3i8i s PRO 22 N -1.90 0.48 0.18 7.34 0.04 -1.26 -4.00 135.00 135.87 3i8i s PRO 22 Ca 0.00 0.56 0.08 0.00 0.04 0.00 0.00 61.00 61.68 3i8i s PRO 22 Cb 0.00 0.03 -0.04 0.00 0.04 0.00 0.00 34.50 34.52 3i8i s PRO 22 CO 0.00 -0.84 -0.15 0.14 0.04 0.00 0.00 177.00 176.19 3i8i s VAL 23 N 2.70 1.71 -0.23 -0.36 -7.23 -0.04 -2.66 120.40 114.29 3i8i s VAL 23 Ca 0.13 -2.06 -0.05 0.00 -1.81 0.00 0.00 61.98 58.19 3i8i s VAL 23 Cb -0.13 -1.92 -0.02 0.00 0.56 0.00 0.00 36.38 34.87 3i8i s VAL 23 CO -0.23 -0.49 0.01 -0.89 -0.31 0.00 0.00 175.10 173.18 3i8i s THR 24 N -2.59 3.80 -0.40 5.32 2.01 0.71 -1.37 115.64 123.13 3i8i s THR 24 Ca 0.19 -0.34 -0.19 0.00 0.31 0.00 0.00 61.69 61.65 3i8i s THR 24 Cb -0.03 -2.76 0.01 0.00 0.01 0.00 0.00 72.50 69.74 3i8i s THR 24 CO 0.06 0.38 0.58 0.68 -0.69 0.00 0.00 174.62 175.64 3i8i s VAL 25 N 1.54 4.92 -0.03 3.82 -7.23 0.13 -2.16 120.40 121.39 3i8i s VAL 25 Ca 0.06 0.21 0.05 0.00 -1.81 0.00 0.00 61.98 60.49 3i8i s VAL 25 Cb -0.15 -4.09 -0.01 0.00 0.56 0.00 0.00 36.38 32.69 3i8i s VAL 25 CO -0.00 -0.42 -0.19 -0.51 -0.31 0.00 0.00 175.10 173.67 3i8i s ILE 26 N 2.60 1.54 -0.20 -0.62 -1.16 -0.39 0.11 121.20 123.08 3i8i s ILE 26 Ca 0.21 -0.80 -0.03 0.00 -0.51 0.00 0.00 60.65 59.51 3i8i s ILE 26 Cb -0.15 -1.30 -0.01 0.00 0.61 0.00 0.00 42.46 41.61 3i8i s ILE 26 CO 0.16 0.44 -0.06 -1.48 -2.81 0.00 0.00 174.94 171.18 3i8i s LEU 27 N -0.23 2.88 -0.91 8.50 2.34 -1.26 -0.13 118.68 129.87 3i8i s LEU 27 Ca 0.02 -0.36 0.00 0.00 0.06 0.00 0.00 54.13 53.85 3i8i s LEU 27 Cb -0.10 -1.71 0.33 0.00 -0.56 0.00 0.00 46.19 44.15 3i8i s LEU 27 CO 0.01 0.03 1.66 0.00 -1.06 0.00 0.00 176.35 176.99 3i8i n ALA 28 N 4.44 5.83 -0.93 1.48 0.00 -0.82 -2.59 120.51 127.92 3i8i n ALA 28 Ca -0.18 -4.58 -0.37 0.00 0.00 0.00 0.00 53.44 48.31 3i8i n ALA 28 Cb 0.51 -1.85 0.06 0.00 0.00 0.00 0.00 19.45 18.17 3i8i n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8i n GLY 29 N -0.15 -2.85 2.81 0.00 0.00 -1.25 -4.64 105.19 99.10 3i8i n GLY 29 Ca 0.44 -0.25 -0.51 0.00 0.00 0.00 0.00 46.02 45.71 3i8i n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i8i n PRO 30 N 1.56 0.00 -3.78 1.61 -0.02 -1.26 -4.87 135.00 128.23 3i8i n PRO 30 Ca -0.01 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.11 3i8i n PRO 30 Cb 0.71 -1.17 -0.12 0.00 -0.02 0.00 0.00 33.50 32.90 3i8i n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i8i s PRO 32 N 1.14 1.82 -0.59 0.00 0.02 -1.09 -0.95 135.00 135.35 3i8i s PRO 32 Ca 0.08 0.80 -0.30 0.00 0.02 0.00 0.00 61.00 61.60 3i8i s PRO 32 Cb -0.23 -4.71 -0.12 0.00 0.02 0.00 0.00 34.50 29.46 3i8i s PRO 32 CO -0.04 -3.97 2.44 1.55 -0.33 0.00 0.00 177.00 176.64 3i8i n VAL 33 N 8.45 0.02 -0.44 3.83 3.14 -1.26 -4.34 118.33 127.72 3i8i n VAL 33 Ca 0.42 -0.44 0.07 0.00 -2.96 0.00 0.00 64.34 61.44 3i8i n VAL 33 Cb 0.48 -1.87 0.33 0.00 -1.06 0.00 0.00 33.84 31.71 3i8i n VAL 33 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 3i8i n VAL 34 N 7.67 1.92 0.00 1.55 0.24 -1.22 -4.87 118.33 123.61 3i8i n VAL 34 Ca 0.46 -1.09 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 3i8i n VAL 34 Cb 0.32 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 3i8i n VAL 34 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3i8i n GLN 35 N 0.78 0.00 -0.02 7.34 7.27 -1.26 -4.83 117.38 126.66 3i8i n GLN 35 Ca 0.23 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 57.21 3i8i n GLN 35 Cb 0.91 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 33.42 3i8i n GLN 35 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3i8i n ARG 36 N 0.00 0.63 -2.41 3.69 1.74 -1.26 -0.60 116.66 118.45 3i8i n ARG 36 Ca 0.00 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 3i8i n ARG 36 Cb 0.00 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.64 3i8i n ARG 36 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i8i n ARG 37 N -3.05 -0.78 -3.37 5.56 5.12 -1.26 -3.84 116.66 115.04 3i8i n ARG 37 Ca -0.17 0.85 -0.31 0.00 -1.93 0.00 0.00 57.85 56.29 3i8i n ARG 37 Cb 1.05 -0.66 -0.05 0.00 -1.16 0.00 0.00 32.46 31.64 3i8i n ARG 37 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3i8i s THR 38 N -0.21 4.93 0.00 0.55 -1.32 -1.26 -3.99 115.64 114.34 3i8i s THR 38 Ca 0.00 0.45 0.00 0.00 -1.21 0.00 0.00 61.69 60.93 3i8i s THR 38 Cb 0.00 -3.63 0.00 0.00 -1.51 0.00 0.00 72.50 67.36 3i8i s THR 38 CO 0.00 -0.12 0.38 -0.81 -2.21 0.00 0.00 174.62 171.85 3i8i n PRO 39 N -0.29 0.00 0.00 7.08 -0.04 -0.10 -0.13 135.00 141.53 3i8i n PRO 39 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3i8i n PRO 39 Cb 0.53 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 3i8i n PRO 39 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3i8i n GLU 40 N 2.69 0.00 -0.00 0.54 4.71 -1.26 -4.35 120.64 122.96 3i8i n GLU 40 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.26 3i8i n GLU 40 Cb 0.00 -0.08 -0.14 0.00 -1.01 0.00 0.00 31.44 30.21 3i8i n GLU 40 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 3i8i n LYS 41 N -0.76 0.44 0.00 3.49 0.00 0.32 -4.56 118.16 117.09 3i8i n LYS 41 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 58.31 58.19 3i8i n LYS 41 Cb 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 35.03 33.51 3i8i n LYS 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3i8i n ASP 42 N -2.03 0.00 0.00 3.14 8.00 0.82 -4.92 116.55 121.57 3i8i n ASP 42 Ca -0.01 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.36 3i8i n ASP 42 Cb 0.49 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 3i8i n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i8i n GLY 43 N 0.21 1.22 3.83 0.44 0.00 -1.24 -4.89 105.19 104.76 3i8i n GLY 43 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 3i8i n GLY 43 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3i8i s TYR 44 N -3.70 0.01 -0.02 1.61 -0.85 -1.26 -4.76 117.35 108.38 3i8i s TYR 44 Ca 0.00 -0.55 0.03 0.00 -0.52 0.00 0.00 57.07 56.03 3i8i s TYR 44 Cb 0.00 0.76 -0.03 0.00 0.38 0.00 0.00 41.96 43.07 3i8i s TYR 44 CO 0.00 -1.29 -0.09 0.99 -1.52 0.00 0.00 175.55 173.64 3i8i s THR 45 N -2.74 3.50 -0.40 -3.49 2.01 -1.26 -0.92 115.64 112.35 3i8i s THR 45 Ca 0.15 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.43 3i8i s THR 45 Cb -0.04 -2.48 0.00 0.00 0.01 0.00 0.00 72.50 69.99 3i8i s THR 45 CO 0.08 0.47 0.00 0.00 -0.69 0.00 0.00 174.62 174.48 3i8i n ALA 46 N 1.83 0.00 -3.26 7.40 0.00 -1.25 0.17 120.51 125.40 3i8i n ALA 46 Ca -0.16 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.31 3i8i n ALA 46 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 3i8i n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3i8i s VAL 47 N -3.00 -0.69 1.07 0.00 -7.23 -1.26 -4.57 120.40 104.72 3i8i s VAL 47 Ca 0.00 0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 60.04 3i8i s VAL 47 Cb 0.00 -1.00 0.19 0.00 0.56 0.00 0.00 36.38 36.13 3i8i s VAL 47 CO 0.00 0.00 0.83 0.00 -0.31 0.00 0.00 175.10 175.62 3i8i n GLN 48 N 5.36 -1.48 0.00 4.82 6.02 0.23 -3.32 117.38 129.00 3i8i n GLN 48 Ca -0.06 -0.39 0.00 0.00 -0.01 0.00 0.00 57.00 56.54 3i8i n GLN 48 Cb 0.52 -2.12 0.00 0.00 1.02 0.00 0.00 30.24 29.66 3i8i n GLN 48 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3i8i n LEU 49 N -3.81 0.01 -1.97 1.08 4.32 -1.23 -3.41 117.00 112.00 3i8i n LEU 49 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 3i8i n LEU 49 Cb 0.55 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 3i8i n LEU 49 CO 0.53 0.00 -0.49 0.61 -1.22 0.00 0.00 177.39 176.82 3i8i n GLY 50 N 0.94 -5.12 0.00 -0.72 0.00 -1.22 -2.66 105.19 96.40 3i8i n GLY 50 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3i8i n GLY 50 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i8i n PHE 51 N 0.72 0.00 -1.66 1.61 -0.00 -0.89 -3.88 117.46 113.35 3i8i n PHE 51 Ca 0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 57.45 56.99 3i8i n PHE 51 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.45 3i8i n PHE 51 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3i8i n LEU 52 N 0.00 2.91 0.00 -2.13 4.32 -1.26 -4.75 117.00 116.09 3i8i n LEU 52 Ca 0.00 1.13 0.00 0.00 -0.02 0.00 0.00 56.01 57.12 3i8i n LEU 52 Cb 0.00 -1.40 0.00 0.00 -1.62 0.00 0.00 43.42 40.40 3i8i n LEU 52 CO 0.00 -0.55 0.33 -0.81 -1.22 0.00 0.00 177.39 175.14 3i8i n PRO 53 N 2.25 0.00 0.00 3.23 -0.04 -1.26 0.77 135.00 139.96 3i8i n PRO 53 Ca 0.13 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 3i8i n PRO 53 Cb 0.30 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 3i8i n PRO 53 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3i8i n GLN 54 N -1.27 0.00 -1.67 0.54 1.13 -1.26 -1.84 117.38 113.02 3i8i n GLN 54 Ca 0.00 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3i8i n GLN 54 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 3i8i n GLN 54 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3i8i n ASN 55 N -3.98 -2.82 -1.20 1.08 4.13 -1.26 -4.64 115.26 106.56 3i8i n ASN 55 Ca 0.00 0.18 0.00 0.00 1.68 0.00 0.00 54.58 56.44 3i8i n ASN 55 Cb 0.00 -1.59 0.00 0.00 -1.54 0.00 0.00 39.78 36.65 3i8i n ASN 55 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3i8i n PRO 56 N 0.01 0.57 -1.10 3.52 -0.04 -1.26 -4.50 135.00 132.19 3i8i n PRO 56 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3i8i n PRO 56 Cb 0.01 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 3i8i n PRO 56 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3i8i n LYS 57 N 1.00 0.00 0.00 0.54 4.76 -1.26 -4.97 118.16 118.23 3i8i n LYS 57 Ca 0.00 0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 3i8i n LYS 57 Cb 0.29 -0.76 0.00 0.00 -1.84 0.00 0.00 35.03 32.71 3i8i n LYS 57 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i8i n ARG 58 N -0.03 -0.07 -0.30 1.97 1.74 -1.26 -4.85 116.66 113.86 3i8i n ARG 58 Ca 0.00 -0.23 0.14 0.00 -0.77 0.00 0.00 57.85 56.99 3i8i n ARG 58 Cb 0.00 -0.62 0.30 0.00 -1.02 0.00 0.00 32.46 31.12 3i8i n ARG 58 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i8i h VAL 59 N 1.02 0.29 -0.88 1.55 2.07 -1.93 -3.47 116.25 114.90 3i8i h VAL 59 Ca 0.00 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3i8i h VAL 59 Cb 0.46 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3i8i h VAL 59 CO 0.00 0.04 0.00 -0.46 0.02 0.00 0.00 177.57 177.17 3i8i n ASN 60 N -5.23 -2.64 -3.08 0.57 0.23 -1.26 -4.38 115.26 99.46 3i8i n ASN 60 Ca 0.22 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.27 3i8i n ASN 60 Cb 0.71 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.41 3i8i n ASN 60 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3i8i n ARG 61 N -0.21 1.86 0.00 -3.83 5.12 -1.26 -4.25 116.66 114.09 3i8i n ARG 61 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i8i n ARG 61 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3i8i n ARG 61 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3i8i n PRO 62 N 0.00 0.00 0.00 5.56 -0.02 -1.26 -4.76 135.00 134.52 3i8i n PRO 62 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3i8i n PRO 62 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3i8i n PRO 62 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3i8i n LEU 63 N 0.00 0.00 0.00 2.45 -0.00 -1.26 -4.65 117.00 113.54 3i8i n LEU 63 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3i8i n LEU 63 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3i8i n LEU 63 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 177.39 177.68 3i8i n LYS 64 N 14.00 0.00 0.17 1.47 5.02 -1.26 -4.96 118.16 132.60 3i8i n LYS 64 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 3i8i n LYS 64 Cb 0.00 0.00 0.61 0.00 -0.02 0.00 0.00 35.03 35.62 3i8i n LYS 64 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3i8i h GLY 65 N 0.00 0.00 -1.44 0.72 0.00 -1.93 -2.77 103.07 97.64 3i8i h GLY 65 Ca 0.00 0.00 0.44 0.00 0.00 0.00 0.00 47.33 47.77 3i8i h GLY 65 CO 0.00 0.00 1.01 1.57 0.00 0.00 0.00 176.54 179.12 3i8i n HIS 66 N -2.36 0.17 -3.36 5.60 -0.00 -1.26 -2.44 115.22 111.57 3i8i n HIS 66 Ca -0.00 0.17 -0.43 0.00 -0.00 0.00 0.00 57.72 57.46 3i8i n HIS 66 Cb 0.11 -0.58 -0.09 0.00 -0.00 0.00 0.00 29.99 29.44 3i8i n HIS 66 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 3i8i s PHE 67 N -4.62 3.19 0.00 1.57 5.36 -1.05 -4.90 117.98 117.54 3i8i s PHE 67 Ca -0.05 -0.50 0.00 0.00 -0.96 0.00 0.00 56.93 55.43 3i8i s PHE 67 Cb 0.23 -2.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.05 3i8i s PHE 67 CO 0.70 -0.69 0.00 0.00 -1.46 0.00 0.00 175.22 173.77 3i8i n ALA 68 N 5.46 0.62 -1.75 11.12 0.00 -1.02 0.12 120.51 135.05 3i8i n ALA 68 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3i8i n ALA 68 Cb 0.47 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.19 3i8i n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i8i n LYS 69 N 1.24 0.00 0.24 0.00 5.02 -1.26 -4.90 118.16 118.49 3i8i n LYS 69 Ca 0.00 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.47 3i8i n LYS 69 Cb 0.00 0.00 0.85 0.00 -0.02 0.00 0.00 35.03 35.86 3i8i n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i8i h ALA 70 N 0.00 1.63 -0.69 7.82 0.00 0.78 -3.46 119.26 125.35 3i8i h ALA 70 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i8i h ALA 70 Cb 0.87 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3i8i h ALA 70 CO 0.00 -0.36 -0.01 0.41 0.00 0.00 0.00 179.25 179.29 3i8i n GLY 71 N -1.33 0.00 2.70 0.00 0.00 -1.26 -2.81 105.19 102.49 3i8i n GLY 71 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 3i8i n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i8i n VAL 72 N 0.74 -1.78 -0.52 1.61 0.31 -1.26 -4.58 118.33 112.85 3i8i n VAL 72 Ca 0.00 0.36 -0.19 0.00 -0.01 0.00 0.00 64.34 64.49 3i8i n VAL 72 Cb 0.01 -2.45 -0.02 0.00 -0.91 0.00 0.00 33.84 30.46 3i8i n VAL 72 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i8i n GLU 73 N 0.97 0.00 -2.68 5.55 4.07 -1.12 -4.63 120.64 122.80 3i8i n GLU 73 Ca -0.01 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.71 3i8i n GLU 73 Cb 0.42 -0.45 -0.06 0.00 -0.06 0.00 0.00 31.44 31.29 3i8i n GLU 73 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3i8i s PRO 74 N -0.17 4.61 0.61 5.31 0.04 -1.20 -4.52 135.00 139.67 3i8i s PRO 74 Ca 0.28 1.48 0.27 0.00 0.04 0.00 0.00 61.00 63.08 3i8i s PRO 74 Cb -0.40 -2.96 1.00 0.00 0.04 0.00 0.00 34.50 32.19 3i8i s PRO 74 CO 0.20 0.27 1.38 -0.39 0.04 0.00 0.00 177.00 178.51 3i8i h VAL 75 N 2.78 0.05 -1.75 -0.36 -1.51 0.11 -3.29 116.25 112.28 3i8i h VAL 75 Ca -0.46 0.00 -0.34 0.00 -1.23 0.00 0.00 66.70 64.67 3i8i h VAL 75 Cb 1.20 0.09 -0.28 0.00 -2.13 0.00 0.00 31.29 30.16 3i8i h VAL 75 CO 0.66 0.00 -0.68 -0.13 -1.23 0.00 0.00 177.57 176.19 3i8i s ARG 76 N -4.47 0.79 0.00 5.19 0.52 -1.26 -4.91 118.95 114.82 3i8i s ARG 76 Ca -0.03 -1.08 0.24 0.00 -0.52 0.00 0.00 55.73 54.35 3i8i s ARG 76 Cb 0.14 -0.64 1.23 0.00 0.52 0.00 0.00 34.95 36.20 3i8i s ARG 76 CO 0.48 -1.26 1.80 0.44 0.02 0.00 0.00 175.30 176.78 3i8i n ILE 77 N 3.75 0.22 -0.83 1.52 -6.64 -1.24 -2.10 119.36 114.04 3i8i n ILE 77 Ca 0.16 0.06 -0.26 0.00 -1.77 0.00 0.00 62.75 60.93 3i8i n ILE 77 Cb 0.49 -0.66 0.01 0.00 -1.44 0.00 0.00 39.64 38.04 3i8i n ILE 77 CO 0.00 0.00 0.00 -0.11 -1.77 0.00 0.00 176.55 174.67 3i8i n LEU 78 N -1.27 -2.72 -1.43 7.28 0.00 -1.26 -3.43 117.00 114.17 3i8i n LEU 78 Ca 0.12 0.41 0.00 0.00 0.00 0.00 0.00 56.01 56.53 3i8i n LEU 78 Cb 0.18 -0.57 0.00 0.00 0.00 0.00 0.00 43.42 43.03 3i8i n LEU 78 CO 0.18 -3.38 -0.32 0.54 0.00 0.00 0.00 177.39 174.40 3i8i n ARG 79 N 1.12 -2.95 -0.69 1.96 3.00 -1.26 -4.51 116.66 113.33 3i8i n ARG 79 Ca 0.05 2.25 0.00 0.00 -0.01 0.00 0.00 57.85 60.13 3i8i n ARG 79 Cb 0.33 -2.87 0.00 0.00 0.00 0.00 0.00 32.46 29.92 3i8i n ARG 79 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3i8i n GLU 80 N -1.82 2.56 0.00 5.56 1.02 -1.26 -3.52 120.64 123.17 3i8i n GLU 80 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i8i n GLU 80 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.61 3i8i n GLU 80 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3i8i n ILE 81 N -0.24 0.00 -1.52 -3.67 2.08 -1.21 -4.85 119.36 109.95 3i8i n ILE 81 Ca 0.00 -0.15 0.00 0.00 0.56 0.00 0.00 62.75 63.16 3i8i n ILE 81 Cb 0.00 0.64 0.00 0.00 -0.75 0.00 0.00 39.64 39.53 3i8i n ILE 81 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3i8i n ARG 82 N -1.26 -3.28 -3.82 0.38 5.12 -1.26 -4.66 116.66 107.88 3i8i n ARG 82 Ca 0.00 2.54 -0.27 0.00 -1.93 0.00 0.00 57.85 58.19 3i8i n ARG 82 Cb 0.00 -2.65 0.03 0.00 -1.16 0.00 0.00 32.46 28.68 3i8i n ARG 82 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3i8i n ASP 83 N 1.12 -3.43 -3.67 0.55 8.00 0.13 -4.79 116.55 114.45 3i8i n ASP 83 Ca 0.00 -0.79 -0.23 0.00 0.71 0.00 0.00 54.79 54.48 3i8i n ASP 83 Cb 0.00 -3.98 -0.18 0.00 -0.02 0.00 0.00 41.12 36.94 3i8i n ASP 83 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3i8i s PHE 84 N -3.45 0.27 -0.17 1.24 5.99 -1.26 -3.19 117.98 117.41 3i8i s PHE 84 Ca 0.40 -0.07 -0.02 0.00 0.00 0.00 0.00 56.93 57.25 3i8i s PHE 84 Cb -0.20 -0.64 0.05 0.00 0.00 0.00 0.00 43.02 42.23 3i8i s PHE 84 CO 0.82 -0.34 0.00 1.21 -0.00 0.00 0.00 175.22 176.91 3i8i s ASN 85 N 2.10 2.73 0.00 6.13 3.84 -1.26 -4.12 114.94 124.35 3i8i s ASN 85 Ca 0.04 -0.68 0.00 0.00 0.21 0.00 0.00 52.86 52.43 3i8i s ASN 85 Cb -0.14 -0.69 0.00 0.00 -0.55 0.00 0.00 41.25 39.88 3i8i s ASN 85 CO -0.06 -0.25 0.00 -0.81 -2.79 0.00 0.00 177.10 173.19 3i8i n PRO 86 N 5.00 3.35 -2.06 0.43 -0.04 -1.26 -4.94 135.00 135.48 3i8i n PRO 86 Ca -0.10 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.96 3i8i n PRO 86 Cb 0.48 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.92 3i8i n PRO 86 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3i8i n GLU 87 N 0.00 2.68 0.00 0.54 0.28 -1.26 -4.82 120.64 118.06 3i8i n GLU 87 Ca 0.00 -2.78 0.00 0.00 -0.16 0.00 0.00 57.16 54.22 3i8i n GLU 87 Cb 0.00 -3.39 0.00 0.00 1.43 0.00 0.00 31.44 29.48 3i8i n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i8i n GLY 88 N 4.90 0.00 0.00 -1.84 0.00 -1.26 -4.55 105.19 102.44 3i8i n GLY 88 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 3i8i n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i8i n ASP 89 N 0.00 0.00 -1.16 1.61 2.03 -1.26 -4.99 116.55 112.77 3i8i n ASP 89 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3i8i n ASP 89 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3i8i n ASP 89 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3i8i n THR 90 N 0.00 -4.01 -3.81 5.18 -1.04 -1.25 -4.94 114.28 104.40 3i8i n THR 90 Ca 0.00 1.68 -0.36 0.00 -2.04 0.00 0.00 64.05 63.32 3i8i n THR 90 Cb 0.00 -2.48 -0.13 0.00 -1.82 0.00 0.00 70.33 65.90 3i8i n THR 90 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3i8i s VAL 91 N -2.03 3.72 0.00 12.58 1.01 -0.13 -4.88 120.40 130.68 3i8i s VAL 91 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3i8i s VAL 91 Cb 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.49 3i8i s VAL 91 CO 0.00 0.15 0.00 0.41 0.00 0.00 0.00 175.10 175.66 3i8i n THR 92 N 4.83 0.00 -0.26 3.92 -1.04 -1.26 -1.96 114.28 118.51 3i8i n THR 92 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 3i8i n THR 92 Cb 0.48 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 3i8i n THR 92 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3i8i n VAL 93 N 0.00 0.00 0.57 12.58 0.31 -1.26 -4.75 118.33 125.77 3i8i n VAL 93 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 3i8i n VAL 93 Cb 0.00 0.27 0.30 0.00 -0.91 0.00 0.00 33.84 33.50 3i8i n VAL 93 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i8i n GLU 94 N 0.00 0.18 0.31 5.55 1.02 -1.26 -0.95 120.64 125.50 3i8i n GLU 94 Ca 0.00 0.16 0.18 0.00 -0.02 0.00 0.00 57.16 57.48 3i8i n GLU 94 Cb 0.00 -1.50 0.99 0.00 -0.02 0.00 0.00 31.44 30.91 3i8i n GLU 94 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3i8i h ILE 95 N 0.00 0.25 -4.03 -3.67 5.03 -1.98 -3.40 117.51 109.71 3i8i h ILE 95 Ca 0.00 -0.16 -0.69 0.00 -0.12 0.00 0.00 64.86 63.90 3i8i h ILE 95 Cb 0.10 1.12 -0.31 0.00 -3.03 0.00 0.00 36.82 34.70 3i8i h ILE 95 CO 0.00 0.02 -0.88 -0.36 -0.68 0.00 0.00 178.15 176.25 3i8i s PHE 96 N -4.24 2.42 -0.09 1.37 0.08 -0.12 -4.98 117.98 112.41 3i8i s PHE 96 Ca -0.04 -0.71 -0.01 0.00 0.12 0.00 0.00 56.93 56.29 3i8i s PHE 96 Cb 0.13 -1.58 -0.03 0.00 -0.57 0.00 0.00 43.02 40.97 3i8i s PHE 96 CO 0.49 -0.21 -0.03 0.15 -0.10 0.00 0.00 175.22 175.52 3i8i s LYS 97 N -0.17 3.03 0.91 0.44 1.02 -1.26 -4.97 119.74 118.73 3i8i s LYS 97 Ca -0.03 -0.48 -0.15 0.00 0.02 0.00 0.00 55.97 55.33 3i8i s LYS 97 Cb -0.14 -2.74 -0.05 0.00 -0.52 0.00 0.00 37.83 34.38 3i8i s LYS 97 CO 0.03 0.60 -0.05 -2.30 -0.92 0.00 0.00 175.35 172.71 3i8i n PRO 98 N 2.44 -0.08 0.00 -1.68 -0.02 -1.26 -1.89 135.00 132.51 3i8i n PRO 98 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 3i8i n PRO 98 Cb 0.53 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 3i8i n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i8i n GLY 99 N 2.32 2.60 3.84 -1.23 0.00 0.14 -4.97 105.19 107.88 3i8i n GLY 99 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3i8i n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i8i s GLU 100 N 0.00 3.39 -0.14 1.61 2.02 -0.79 -4.69 118.70 120.09 3i8i s GLU 100 Ca 0.00 0.92 -0.06 0.00 0.02 0.00 0.00 54.97 55.86 3i8i s GLU 100 Cb 0.00 -2.05 -0.04 0.00 0.10 0.00 0.00 34.13 32.14 3i8i s GLU 100 CO 0.00 -0.74 0.06 0.50 0.02 0.00 0.00 175.26 175.11 3i8i s ARG 101 N -4.78 3.61 0.20 1.61 6.06 -1.26 0.12 118.95 124.50 3i8i s ARG 101 Ca 0.58 -0.31 0.04 0.00 -2.50 0.00 0.00 55.73 53.54 3i8i s ARG 101 Cb -0.13 -3.10 -0.05 0.00 0.06 0.00 0.00 34.95 31.73 3i8i s ARG 101 CO 0.48 0.50 -0.05 0.14 -2.50 0.00 0.00 175.30 173.87 3i8i s VAL 102 N -0.27 1.13 -0.21 7.11 -7.23 0.39 -1.22 120.40 120.09 3i8i s VAL 102 Ca 0.08 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 3i8i s VAL 102 Cb -0.12 -2.14 0.03 0.00 0.56 0.00 0.00 36.38 34.71 3i8i s VAL 102 CO 0.01 -0.50 -0.14 -1.81 -0.31 0.00 0.00 175.10 172.36 3i8i s ASP 103 N -3.26 3.75 -0.16 4.85 1.11 -0.64 0.12 116.67 122.44 3i8i s ASP 103 Ca 0.24 -0.83 -0.08 0.00 0.18 0.00 0.00 52.55 52.05 3i8i s ASP 103 Cb 0.04 -1.55 -0.04 0.00 1.07 0.00 0.00 42.92 42.43 3i8i s ASP 103 CO 0.05 -0.07 0.12 -0.69 1.18 0.00 0.00 175.17 175.77 3i8i s VAL 104 N 1.27 5.33 -0.16 -1.27 1.01 0.01 -1.88 120.40 124.72 3i8i s VAL 104 Ca 0.01 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 3i8i s VAL 104 Cb -0.15 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 3i8i s VAL 104 CO -0.09 0.52 -0.05 -0.89 0.00 0.00 0.00 175.10 174.60 3i8i s THR 105 N -0.27 3.71 0.22 3.92 2.01 -0.47 -0.60 115.64 124.16 3i8i s THR 105 Ca 0.11 -0.42 -0.00 0.00 0.31 0.00 0.00 61.69 61.69 3i8i s THR 105 Cb -0.12 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 69.77 3i8i s THR 105 CO 0.01 0.49 0.29 0.61 -0.69 0.00 0.00 174.62 175.33 3i8i n GLY 106 N 3.65 2.63 3.15 4.40 0.00 0.20 -1.94 105.19 117.28 3i8i n GLY 106 Ca -0.18 -1.58 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 3i8i n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i8i s THR 107 N -2.71 3.19 0.64 2.61 2.01 -1.26 0.84 115.64 120.96 3i8i s THR 107 Ca 0.20 -1.72 -0.17 0.00 0.31 0.00 0.00 61.69 60.30 3i8i s THR 107 Cb -0.00 -3.02 -0.08 0.00 0.01 0.00 0.00 72.50 69.40 3i8i s THR 107 CO 0.14 -0.42 0.35 -1.54 -0.69 0.00 0.00 174.62 172.46 3i8i n SER 108 N 4.61 -1.79 -4.77 3.53 3.41 -0.87 -2.17 113.62 115.58 3i8i n SER 108 Ca -0.07 0.64 -0.38 0.00 -0.26 0.00 0.00 58.87 58.80 3i8i n SER 108 Cb 0.42 -1.12 -0.00 0.00 -0.26 0.00 0.00 64.21 63.26 3i8i n SER 108 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3i8i s LYS 109 N -2.16 3.81 -0.50 4.33 1.02 -1.26 -1.07 119.74 123.91 3i8i s LYS 109 Ca 0.64 1.98 -0.29 0.00 0.02 0.00 0.00 55.97 58.32 3i8i s LYS 109 Cb -0.40 -2.56 0.02 0.00 -0.52 0.00 0.00 37.83 34.36 3i8i s LYS 109 CO 0.59 -0.57 1.30 0.20 -0.92 0.00 0.00 175.35 175.95 3i8i s GLY 110 N -1.05 1.11 -0.06 -3.33 0.00 -1.26 -1.83 107.32 100.89 3i8i s GLY 110 Ca 0.61 -0.50 0.11 0.00 0.00 0.00 0.00 44.72 44.95 3i8i s GLY 110 CO 0.42 2.63 1.30 0.54 0.00 0.00 0.00 173.10 177.99 3i8i n ARG 111 N 8.23 2.61 0.00 2.90 1.74 -0.49 -4.90 116.66 126.75 3i8i n ARG 111 Ca 0.13 -1.74 0.00 0.00 -0.77 0.00 0.00 57.85 55.47 3i8i n ARG 111 Cb 0.49 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 3i8i n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i8i n GLY 112 N 0.85 1.01 3.55 -0.13 0.00 -1.24 -3.93 105.19 105.30 3i8i n GLY 112 Ca 0.16 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 3i8i n GLY 112 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i8i s PHE 113 N 0.00 2.35 0.33 1.61 5.99 -1.26 -1.19 117.98 125.81 3i8i s PHE 113 Ca 0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 56.93 56.51 3i8i s PHE 113 Cb 0.00 -4.64 -0.08 0.00 0.00 0.00 0.00 43.02 38.30 3i8i s PHE 113 CO 0.00 -2.03 0.71 0.00 -0.00 0.00 0.00 175.22 173.89 3i8i s ALA 114 N 5.56 3.38 0.50 11.12 0.00 0.12 -4.81 121.76 137.64 3i8i s ALA 114 Ca 0.40 -0.11 -0.00 0.00 0.00 0.00 0.00 51.96 52.24 3i8i s ALA 114 Cb -0.05 -2.67 0.01 0.00 0.00 0.00 0.00 23.12 20.40 3i8i s ALA 114 CO 0.06 0.26 0.73 0.20 0.00 0.00 0.00 175.76 177.02 3i8i s GLY 115 N -2.58 1.63 0.55 0.00 0.00 -1.26 -0.52 107.32 105.14 3i8i s GLY 115 Ca 0.52 -1.07 -0.20 0.00 0.00 0.00 0.00 44.72 43.97 3i8i s GLY 115 CO 0.22 -0.85 1.22 0.54 0.00 0.00 0.00 173.10 174.23 3i8i s VAL 116 N -2.68 2.68 -0.19 1.40 0.11 -1.26 -0.76 120.40 119.69 3i8i s VAL 116 Ca 0.51 0.46 -0.04 0.00 -2.93 0.00 0.00 61.98 59.98 3i8i s VAL 116 Cb -0.10 -3.20 0.00 0.00 -1.53 0.00 0.00 36.38 31.55 3i8i s VAL 116 CO 0.39 -0.06 0.23 0.80 -3.33 0.00 0.00 175.10 173.13 3i8i n MET 117 N -1.22 -0.73 0.00 1.54 0.00 -1.26 -4.63 117.12 110.82 3i8i n MET 117 Ca 0.11 1.01 0.00 0.00 -0.00 0.00 0.00 57.70 58.83 3i8i n MET 117 Cb 0.49 -3.03 0.00 0.00 0.00 0.00 0.00 33.22 30.68 3i8i n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3i8i n LYS 118 N -0.72 0.00 0.01 2.12 0.00 -1.24 -4.71 118.16 113.62 3i8i n LYS 118 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.33 3i8i n LYS 118 Cb 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.31 3i8i n LYS 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i8i h ARG 119 N 0.00 -0.03 -0.31 1.64 2.47 -1.21 -3.33 114.38 113.61 3i8i h ARG 119 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3i8i h ARG 119 Cb 0.00 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 3i8i h ARG 119 CO 0.00 -0.02 0.00 0.91 0.56 0.00 0.00 179.97 181.42 3i8i n TRP 120 N -2.42 0.40 -2.02 3.04 7.02 -1.26 -4.97 117.44 117.23 3i8i n TRP 120 Ca -0.00 -0.26 -0.15 0.00 -1.02 0.00 0.00 57.50 56.07 3i8i n TRP 120 Cb 0.02 -0.01 -0.02 0.00 -2.42 0.00 0.00 31.31 28.88 3i8i n TRP 120 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3i8i n ASN 121 N 1.11 -4.52 -4.47 -0.99 5.03 -1.25 -4.69 115.26 105.47 3i8i n ASN 121 Ca 0.15 0.10 -0.32 0.00 0.87 0.00 0.00 54.58 55.38 3i8i n ASN 121 Cb 0.50 -3.56 0.16 0.00 -1.02 0.00 0.00 39.78 35.86 3i8i n ASN 121 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 3i8i n PHE 122 N -3.58 -0.76 0.63 3.10 3.01 -1.26 -4.76 117.46 113.83 3i8i n PHE 122 Ca -0.16 0.21 0.13 0.00 1.01 0.00 0.00 57.45 58.63 3i8i n PHE 122 Cb 0.58 -1.80 0.30 0.00 -0.01 0.00 0.00 39.48 38.56 3i8i n PHE 122 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i8i n ALA 123 N -4.12 2.62 -1.27 4.37 0.00 -1.26 -4.47 120.51 116.38 3i8i n ALA 123 Ca 0.07 -0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.50 3i8i n ALA 123 Cb 0.55 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 3i8i n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8i n GLY 124 N 1.34 -1.59 4.01 0.00 0.00 -1.26 -4.91 105.19 102.78 3i8i n GLY 124 Ca 0.05 -1.11 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 3i8i n GLY 124 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i8i s GLY 125 N -6.68 1.87 0.41 -0.02 0.00 -0.85 -4.94 107.32 97.11 3i8i s GLY 125 Ca 0.00 -1.89 -0.27 0.00 0.00 0.00 0.00 44.72 42.57 3i8i s GLY 125 CO 0.00 -1.60 1.39 -4.14 0.00 0.00 0.00 173.10 168.75 3i8i s PRO 126 N -4.48 3.94 0.00 2.90 0.02 -1.26 -4.72 135.00 131.39 3i8i s PRO 126 Ca 0.57 2.36 0.22 0.00 0.02 0.00 0.00 61.00 64.17 3i8i s PRO 126 Cb -0.07 -2.81 1.04 0.00 0.02 0.00 0.00 34.50 32.68 3i8i s PRO 126 CO 0.35 -0.59 1.70 -0.25 -0.33 0.00 0.00 177.00 177.88 3i8i n ASP 127 N 0.16 0.80 0.00 2.53 9.92 -1.26 -4.54 116.55 124.16 3i8i n ASP 127 Ca 0.03 -1.50 0.00 0.00 -0.53 0.00 0.00 54.79 52.79 3i8i n ASP 127 Cb 0.42 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.86 3i8i n ASP 127 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3i8i n SER 128 N -0.28 3.45 0.00 -2.24 3.41 -1.26 -5.00 113.62 111.70 3i8i n SER 128 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 3i8i n SER 128 Cb 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3i8i n SER 128 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3i8i n HIS 129 N 0.00 0.00 0.00 7.33 8.25 -1.26 -2.17 115.22 127.37 3i8i n HIS 129 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i8i n HIS 129 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3i8i n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i8i n GLY 130 N 0.00 -2.86 7.00 -1.41 0.00 -1.26 -4.97 105.19 101.69 3i8i n GLY 130 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3i8i n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8i n ALA 131 N -1.06 0.00 0.00 4.61 0.00 -0.92 -5.04 120.51 118.10 3i8i n ALA 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i8i n ALA 131 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i8i n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3i8i n HIS 132 N -1.25 0.00 -3.58 0.00 -0.00 -1.26 -4.89 115.22 104.23 3i8i n HIS 132 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.51 3i8i n HIS 132 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 29.99 30.06 3i8i n HIS 132 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3i8i n LYS 133 N 0.00 -6.59 0.00 1.57 5.02 -1.26 -4.84 118.16 112.07 3i8i n LYS 133 Ca 0.00 0.77 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 3i8i n LYS 133 Cb 0.00 -5.70 0.00 0.00 -0.02 0.00 0.00 35.03 29.31 3i8i n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3i8i n ILE 134 N -4.48 0.00 -0.61 -0.18 -6.64 -1.26 -4.86 119.36 101.34 3i8i n ILE 134 Ca -0.17 0.00 0.49 0.00 -1.77 0.00 0.00 62.75 61.30 3i8i n ILE 134 Cb 0.62 1.22 0.81 0.00 -1.44 0.00 0.00 39.64 40.85 3i8i n ILE 134 CO 0.00 0.00 0.00 0.45 -1.77 0.00 0.00 176.55 175.23 3i8i h HIS 135 N 0.00 0.01 0.00 4.28 -0.00 -1.85 0.31 115.15 117.91 3i8i h HIS 135 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3i8i h HIS 135 Cb 0.86 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.26 3i8i h HIS 135 CO 0.00 -0.00 -0.10 0.54 -0.00 0.00 0.00 177.93 178.37 3i8i n ARG 136 N -4.01 1.28 -1.79 2.45 1.74 -1.26 -2.01 116.66 113.05 3i8i n ARG 136 Ca 0.40 -1.48 -0.30 0.00 -0.77 0.00 0.00 57.85 55.70 3i8i n ARG 136 Cb 1.82 -0.93 0.08 0.00 -1.02 0.00 0.00 32.46 32.41 3i8i n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3i8i s HIS 137 N -1.10 3.03 -1.88 -1.55 3.76 0.11 -4.81 115.29 112.85 3i8i s HIS 137 Ca 0.09 0.95 0.30 0.00 -0.15 0.00 0.00 55.06 56.25 3i8i s HIS 137 Cb 0.08 -3.25 1.53 0.00 1.11 0.00 0.00 32.58 32.04 3i8i s HIS 137 CO 0.01 -1.61 2.02 -0.35 -0.85 0.00 0.00 174.74 173.96 3i8i n PRO 138 N -3.27 0.91 0.00 8.40 -0.04 -1.26 -4.19 135.00 135.56 3i8i n PRO 138 Ca 0.07 -0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 3i8i n PRO 138 Cb 0.58 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 3i8i n PRO 138 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i8i n GLY 139 N 1.15 -0.15 3.83 0.55 0.00 -1.26 -4.83 105.19 104.48 3i8i n GLY 139 Ca 0.19 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 3i8i n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i8i s SER 140 N -4.00 5.32 -0.06 1.61 0.15 -1.26 -5.00 113.70 110.46 3i8i s SER 140 Ca 0.00 1.46 0.09 0.00 0.70 0.00 0.00 55.95 58.20 3i8i s SER 140 Cb 0.00 -2.33 0.14 0.00 -1.71 0.00 0.00 66.02 62.12 3i8i s SER 140 CO 0.00 -1.46 1.07 2.30 1.20 0.00 0.00 173.24 176.35 3i8i n ILE 141 N -3.13 0.79 -2.14 6.45 -5.35 -1.26 -5.10 119.36 109.61 3i8i n ILE 141 Ca 0.07 -1.01 0.00 0.00 -0.27 0.00 0.00 62.75 61.54 3i8i n ILE 141 Cb 0.55 0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.66 3i8i n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i8i n GLY 142 N -0.56 1.15 0.00 3.28 0.00 -1.26 -4.74 105.19 103.06 3i8i n GLY 142 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3i8i n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i8i n ASN 143 N 0.00 0.00 0.00 1.61 5.03 -1.26 -5.13 115.26 115.51 3i8i n ASN 143 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3i8i n ASN 143 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3i8i n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3i8i n ARG 144 N 0.00 0.00 -0.18 3.52 5.12 -1.26 -4.98 116.66 118.88 3i8i n ARG 144 Ca 0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.82 3i8i n ARG 144 Cb 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.31 3i8i n ARG 144 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3i8i h LYS 145 N 0.00 0.99 -5.25 5.56 1.57 -2.02 -2.97 116.57 114.46 3i8i h LYS 145 Ca 0.00 -0.36 -0.66 0.00 -1.87 0.00 0.00 60.65 57.76 3i8i h LYS 145 Cb 0.00 -0.07 -0.28 0.00 0.08 0.00 0.00 32.23 31.97 3i8i h LYS 145 CO 0.00 1.03 -0.76 0.95 -0.57 0.00 0.00 179.45 180.10 3i8i s THR 146 N -4.88 3.03 0.22 -0.16 -4.23 -1.26 -1.95 115.64 106.43 3i8i s THR 146 Ca -0.12 -0.65 -0.00 0.00 -1.18 0.00 0.00 61.69 59.74 3i8i s THR 146 Cb 0.12 -2.29 -0.02 0.00 1.34 0.00 0.00 72.50 71.65 3i8i s THR 146 CO 0.85 0.51 1.58 1.55 -0.54 0.00 0.00 174.62 178.57 3i8i h PRO 147 N 7.02 0.48 0.00 3.99 0.13 -1.96 -3.45 132.00 138.22 3i8i h PRO 147 Ca -0.30 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 3i8i h PRO 147 Cb 1.20 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3i8i h PRO 147 CO 0.57 0.85 0.00 0.41 -0.23 0.00 0.00 178.00 179.60 3i8i n GLY 148 N 0.08 0.82 1.59 1.56 0.00 -0.82 -5.04 105.19 103.38 3i8i n GLY 148 Ca -0.02 -0.41 -0.05 0.00 0.00 0.00 0.00 46.02 45.54 3i8i n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i8i n ARG 149 N -2.26 0.43 -5.15 1.61 1.85 -1.26 -5.03 116.66 106.85 3i8i n ARG 149 Ca 0.00 -1.06 -0.32 0.00 -1.00 0.00 0.00 57.85 55.47 3i8i n ARG 149 Cb 0.02 1.21 -0.16 0.00 -1.05 0.00 0.00 32.46 32.48 3i8i n ARG 149 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3i8i s VAL 150 N -2.61 2.31 0.47 8.89 1.01 -1.26 -4.72 120.40 124.50 3i8i s VAL 150 Ca 0.09 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.88 3i8i s VAL 150 Cb -0.02 -1.87 -0.09 0.00 0.00 0.00 0.00 36.38 34.40 3i8i s VAL 150 CO 0.07 0.56 0.92 -1.22 0.00 0.00 0.00 175.10 175.43 3i8i n TYR 151 N 3.04 0.81 -0.10 5.22 4.01 -1.26 -4.89 117.16 124.00 3i8i n TYR 151 Ca -0.18 0.52 0.01 0.00 -0.16 0.00 0.00 57.90 58.10 3i8i n TYR 151 Cb 0.52 -2.17 0.31 0.00 -0.31 0.00 0.00 39.34 37.70 3i8i n TYR 151 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3i8i h LYS 152 N 1.15 0.74 0.00 -0.72 1.63 -2.03 -3.00 116.57 114.34 3i8i h LYS 152 Ca -0.45 -0.07 -0.20 0.00 -0.85 0.00 0.00 60.65 59.08 3i8i h LYS 152 Cb 1.35 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 3i8i h LYS 152 CO 0.54 0.54 -0.88 0.78 -3.45 0.00 0.00 179.45 176.98 3i8i h GLY 153 N 0.81 0.26 0.00 5.01 0.00 -2.07 -3.49 103.07 103.60 3i8i h GLY 153 Ca 0.20 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3i8i h GLY 153 CO -0.03 0.41 0.00 1.17 0.00 0.00 0.00 176.54 178.08 3i8i n LYS 154 N -3.68 0.00 -3.30 4.80 0.00 -1.14 -4.90 118.16 109.95 3i8i n LYS 154 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 58.31 57.89 3i8i n LYS 154 Cb 0.81 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.78 3i8i n LYS 154 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3i8i s LYS 155 N 0.00 4.28 0.06 1.64 1.02 -1.26 -5.05 119.74 120.43 3i8i s LYS 155 Ca 0.00 0.54 -0.01 0.00 0.02 0.00 0.00 55.97 56.52 3i8i s LYS 155 Cb 0.00 -3.38 0.00 0.00 -0.52 0.00 0.00 37.83 33.93 3i8i s LYS 155 CO 0.00 0.29 0.09 -1.33 -0.92 0.00 0.00 175.35 173.48 3i8i n MET 156 N 3.15 0.13 -1.86 1.68 2.81 -1.26 -5.08 117.12 116.70 3i8i n MET 156 Ca -0.08 -0.43 -0.29 0.00 -1.81 0.00 0.00 57.70 55.09 3i8i n MET 156 Cb 0.52 0.44 0.13 0.00 -0.71 0.00 0.00 33.22 33.60 3i8i n MET 156 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i8i s ALA 157 N -1.59 2.37 0.00 3.04 0.00 -1.26 -4.57 121.76 119.74 3i8i s ALA 157 Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3i8i s ALA 157 Cb -0.00 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.22 3i8i s ALA 157 CO 0.03 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.14 3i8i n GLY 158 N -3.32 -0.46 3.70 0.00 0.00 0.32 -4.97 105.19 100.46 3i8i n GLY 158 Ca 0.11 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 3i8i n GLY 158 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i8i n HIS 159 N 1.98 2.39 -3.81 1.61 -0.00 -1.26 0.15 115.22 116.29 3i8i n HIS 159 Ca 0.00 0.45 -0.14 0.00 -0.00 0.00 0.00 57.72 58.04 3i8i n HIS 159 Cb 0.00 -2.47 -0.15 0.00 -0.00 0.00 0.00 29.99 27.37 3i8i n HIS 159 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 3i8i s TYR 160 N -0.57 -0.00 0.00 1.57 6.04 -0.33 -4.76 117.35 119.29 3i8i s TYR 160 Ca 0.61 0.11 0.00 0.00 0.04 0.00 0.00 57.07 57.83 3i8i s TYR 160 Cb -0.58 -0.12 0.00 0.00 -1.04 0.00 0.00 41.96 40.22 3i8i s TYR 160 CO 0.56 -0.06 0.00 0.41 -1.54 0.00 0.00 175.55 174.92 3i8i n GLY 161 N 3.69 -2.10 3.38 8.97 0.00 -1.26 -1.40 105.19 116.48 3i8i n GLY 161 Ca -0.21 -1.58 -0.24 0.00 0.00 0.00 0.00 46.02 44.00 3i8i n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8i n ALA 162 N -0.07 -1.15 -2.10 4.61 0.00 -0.23 -4.71 120.51 116.85 3i8i n ALA 162 Ca 0.00 0.32 -0.08 0.00 0.00 0.00 0.00 53.44 53.68 3i8i n ALA 162 Cb 0.00 -4.61 -0.10 0.00 0.00 0.00 0.00 19.45 14.74 3i8i n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3i8i s GLU 163 N -6.08 0.67 0.03 0.00 4.04 -1.25 -4.87 118.70 111.24 3i8i s GLU 163 Ca 0.47 -1.26 -0.34 0.00 0.04 0.00 0.00 54.97 53.88 3i8i s GLU 163 Cb -0.21 0.20 -0.13 0.00 0.02 0.00 0.00 34.13 34.01 3i8i s GLU 163 CO 0.58 -0.13 1.74 -2.13 -1.84 0.00 0.00 175.26 173.48 3i8i n ARG 164 N 0.07 2.19 -4.20 -4.83 0.63 -1.26 -2.05 116.66 107.21 3i8i n ARG 164 Ca -0.13 0.80 -0.17 0.00 -0.92 0.00 0.00 57.85 57.43 3i8i n ARG 164 Cb 0.61 -2.61 -0.15 0.00 0.45 0.00 0.00 32.46 30.77 3i8i n ARG 164 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3i8i s VAL 165 N 2.59 0.48 -0.16 5.15 1.01 0.25 -4.91 120.40 124.80 3i8i s VAL 165 Ca 0.86 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.61 3i8i s VAL 165 Cb -0.68 -0.42 0.01 0.00 0.00 0.00 0.00 36.38 35.29 3i8i s VAL 165 CO 0.45 0.15 -0.19 -0.89 0.00 0.00 0.00 175.10 174.61 3i8i s THR 166 N -0.01 2.21 -0.16 3.92 2.01 -1.26 0.60 115.64 122.95 3i8i s THR 166 Ca 0.01 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.03 3i8i s THR 166 Cb -0.04 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 3i8i s THR 166 CO -0.00 0.53 0.05 0.54 -0.69 0.00 0.00 174.62 175.05 3i8i s VAL 167 N 1.06 4.73 0.45 3.82 0.11 0.23 -4.97 120.40 125.83 3i8i s VAL 167 Ca -0.01 -0.07 0.07 0.00 -2.93 0.00 0.00 61.98 59.05 3i8i s VAL 167 Cb -0.14 -3.09 0.07 0.00 -1.53 0.00 0.00 36.38 31.69 3i8i s VAL 167 CO -0.07 0.51 0.62 0.23 -3.33 0.00 0.00 175.10 173.06 3i8i n MET 168 N 3.09 0.70 -2.10 1.54 0.00 -1.26 -0.81 117.12 118.27 3i8i n MET 168 Ca -0.17 -2.44 -0.10 0.00 0.00 0.00 0.00 57.70 54.99 3i8i n MET 168 Cb 0.53 -0.17 -0.02 0.00 0.00 0.00 0.00 33.22 33.56 3i8i n MET 168 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3i8i n ASN 169 N -2.46 -0.51 -4.77 7.83 5.15 -1.04 -4.82 115.26 114.63 3i8i n ASN 169 Ca 0.12 -0.24 -0.38 0.00 -0.60 0.00 0.00 54.58 53.48 3i8i n ASN 169 Cb 0.47 -0.46 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 3i8i n ASN 169 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3i8i s LEU 170 N -2.62 4.24 -0.06 1.20 1.43 0.32 -4.64 118.68 118.55 3i8i s LEU 170 Ca 0.19 2.21 -0.13 0.00 -1.03 0.00 0.00 54.13 55.37 3i8i s LEU 170 Cb -0.11 -4.02 -0.05 0.00 0.03 0.00 0.00 46.19 42.04 3i8i s LEU 170 CO 0.24 -0.51 0.34 -0.70 0.23 0.00 0.00 176.35 175.95 3i8i s GLU 171 N -2.22 3.90 -0.56 1.70 2.12 -1.26 0.15 118.70 122.53 3i8i s GLU 171 Ca 0.55 0.25 -0.27 0.00 0.36 0.00 0.00 54.97 55.86 3i8i s GLU 171 Cb -0.27 -3.26 0.03 0.00 0.26 0.00 0.00 34.13 30.89 3i8i s GLU 171 CO 0.34 0.60 1.12 0.08 -0.54 0.00 0.00 175.26 176.87 3i8i s VAL 172 N -0.71 4.13 0.11 3.70 1.01 0.12 -2.91 120.40 125.85 3i8i s VAL 172 Ca 0.21 0.78 -0.09 0.00 0.00 0.00 0.00 61.98 62.88 3i8i s VAL 172 Cb -0.15 -4.66 -0.18 0.00 0.00 0.00 0.00 36.38 31.38 3i8i s VAL 172 CO 0.10 -1.25 1.28 0.58 0.00 0.00 0.00 175.10 175.82 3i8i h VAL 173 N 6.13 1.33 -2.74 2.92 2.07 -0.94 0.40 116.25 125.42 3i8i h VAL 173 Ca -0.25 -2.22 0.11 0.00 0.82 0.00 0.00 66.70 65.15 3i8i h VAL 173 Cb 1.06 2.26 -0.07 0.00 -1.52 0.00 0.00 31.29 33.02 3i8i h VAL 173 CO 1.15 0.68 0.33 -0.62 0.02 0.00 0.00 177.57 179.14 3i8i s ASP 174 N -7.15 -0.24 -0.21 0.57 3.68 -1.23 -4.64 116.67 107.44 3i8i s ASP 174 Ca -0.08 -0.50 -0.09 0.00 2.13 0.00 0.00 52.55 54.01 3i8i s ASP 174 Cb 0.08 0.63 0.08 0.00 -1.45 0.00 0.00 42.92 42.27 3i8i s ASP 174 CO 0.89 -1.15 0.48 0.54 0.13 0.00 0.00 175.17 176.06 3i8i s VAL 175 N -3.66 -0.42 -0.81 1.11 0.11 -1.26 -1.40 120.40 114.07 3i8i s VAL 175 Ca 0.11 0.10 -0.11 0.00 -2.93 0.00 0.00 61.98 59.15 3i8i s VAL 175 Cb -0.04 -0.74 0.21 0.00 -1.53 0.00 0.00 36.38 34.29 3i8i s VAL 175 CO 0.04 0.04 0.72 -0.63 -3.33 0.00 0.00 175.10 171.94 3i8i s ILE 176 N 2.15 5.16 0.43 7.04 1.09 -0.73 -4.88 121.20 131.46 3i8i s ILE 176 Ca -0.06 -2.72 0.14 0.00 -1.10 0.00 0.00 60.65 56.91 3i8i s ILE 176 Cb -0.10 -4.21 0.34 0.00 -1.06 0.00 0.00 42.46 37.43 3i8i s ILE 176 CO -0.15 -1.01 1.96 1.55 -0.10 0.00 0.00 174.94 177.19 3i8i h PRO 177 N 7.44 0.40 -0.59 2.79 0.13 -1.95 0.17 132.00 140.38 3i8i h PRO 177 Ca 0.09 -0.02 0.12 0.00 -0.87 0.00 0.00 66.00 65.32 3i8i h PRO 177 Cb 1.00 -0.09 -0.11 0.00 0.13 0.00 0.00 31.00 31.93 3i8i h PRO 177 CO 0.76 0.26 -0.13 0.93 -0.23 0.00 0.00 178.00 179.60 3i8i h GLU 178 N 0.41 0.01 -0.09 0.86 3.07 -1.96 -2.84 114.58 114.05 3i8i h GLU 178 Ca 0.31 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 3i8i h GLU 178 Cb 0.65 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 3i8i h GLU 178 CO -0.09 0.01 0.00 -1.91 -1.40 0.00 0.00 179.01 175.62 3i8i n GLU 179 N -5.40 1.70 -2.13 2.33 4.07 -0.30 -4.97 120.64 115.94 3i8i n GLU 179 Ca 0.07 -1.69 -0.12 0.00 -0.06 0.00 0.00 57.16 55.35 3i8i n GLU 179 Cb 0.32 -1.36 -0.01 0.00 -0.06 0.00 0.00 31.44 30.32 3i8i n GLU 179 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3i8i n ASN 180 N 1.05 -3.92 -4.90 4.31 3.02 0.43 -4.89 115.26 110.38 3i8i n ASN 180 Ca 0.12 0.02 -0.32 0.00 -0.03 0.00 0.00 54.58 54.37 3i8i n ASN 180 Cb 0.47 -3.06 -0.05 0.00 -0.61 0.00 0.00 39.78 36.53 3i8i n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i8i s LEU 181 N -3.40 4.31 -0.02 3.41 2.01 -0.98 -1.95 118.68 122.07 3i8i s LEU 181 Ca 0.00 0.55 0.01 0.00 0.01 0.00 0.00 54.13 54.70 3i8i s LEU 181 Cb 0.00 -3.09 0.01 0.00 0.01 0.00 0.00 46.19 43.12 3i8i s LEU 181 CO 0.00 0.12 -0.04 -0.22 1.01 0.00 0.00 176.35 177.22 3i8i s LEU 182 N -2.38 1.73 -0.21 1.79 2.96 0.82 -1.77 118.68 121.62 3i8i s LEU 182 Ca 0.36 -0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 54.15 3i8i s LEU 182 Cb -0.13 -0.31 -0.01 0.00 0.50 0.00 0.00 46.19 46.25 3i8i s LEU 182 CO 0.23 0.01 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.45 3i8i s LEU 183 N 0.28 2.82 0.25 -0.68 1.02 -0.50 -1.26 118.68 120.60 3i8i s LEU 183 Ca -0.03 -0.41 0.10 0.00 0.02 0.00 0.00 54.13 53.81 3i8i s LEU 183 Cb -0.07 -1.71 -0.05 0.00 0.02 0.00 0.00 46.19 44.38 3i8i s LEU 183 CO -0.00 -0.01 -0.17 -0.69 0.02 0.00 0.00 176.35 175.50 3i8i s VAL 184 N 1.43 2.13 0.00 -1.59 1.01 -0.92 -0.24 120.40 122.21 3i8i s VAL 184 Ca 0.05 -2.31 0.00 0.00 0.00 0.00 0.00 61.98 59.72 3i8i s VAL 184 Cb -0.14 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.03 3i8i s VAL 184 CO -0.04 -0.47 0.16 0.29 0.00 0.00 0.00 175.10 175.04 3i8i n LYS 185 N -0.52 0.12 0.00 2.72 4.76 -1.15 -0.21 118.16 123.89 3i8i n LYS 185 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 3i8i n LYS 185 Cb 0.60 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 3i8i n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i8i n GLY 186 N 1.23 1.48 3.21 0.72 0.00 -1.09 -4.81 105.19 105.93 3i8i n GLY 186 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 3i8i n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8i n ALA 187 N 0.00 0.62 -3.82 4.61 0.00 -1.26 -4.78 120.51 115.88 3i8i n ALA 187 Ca 0.00 -1.44 -0.24 0.00 0.00 0.00 0.00 53.44 51.75 3i8i n ALA 187 Cb 0.00 -2.38 -0.17 0.00 0.00 0.00 0.00 19.45 16.89 3i8i n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i8i s VAL 188 N 5.23 0.65 0.87 0.00 0.11 -1.26 -4.79 120.40 121.21 3i8i s VAL 188 Ca 0.34 -0.05 -0.16 0.00 -2.93 0.00 0.00 61.98 59.18 3i8i s VAL 188 Cb 0.07 -0.75 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 3i8i s VAL 188 CO 0.17 0.30 -0.53 -0.81 -3.33 0.00 0.00 175.10 170.91 3i8i n PRO 189 N 5.03 -0.66 -1.21 1.54 -0.04 -1.26 -4.93 135.00 133.48 3i8i n PRO 189 Ca -0.10 -0.19 0.14 0.00 -0.04 0.00 0.00 63.50 63.31 3i8i n PRO 189 Cb 0.50 -1.18 -0.05 0.00 -0.04 0.00 0.00 33.50 32.73 3i8i n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i8i n GLY 190 N 2.95 -1.92 3.93 0.55 0.00 -0.92 -4.71 105.19 105.07 3i8i n GLY 190 Ca 0.00 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 3i8i n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i8i s PRO 191 N -3.15 2.97 0.24 1.61 0.04 -1.26 -4.85 135.00 130.59 3i8i s PRO 191 Ca 0.00 -0.24 -0.31 0.00 0.04 0.00 0.00 61.00 60.49 3i8i s PRO 191 Cb 0.00 -2.40 -0.13 0.00 0.04 0.00 0.00 34.50 32.00 3i8i s PRO 191 CO 0.00 -0.52 1.40 0.09 0.04 0.00 0.00 177.00 178.01 3i8i n ASN 192 N -2.36 2.69 -0.01 6.66 5.03 -1.26 -1.41 115.26 124.60 3i8i n ASN 192 Ca 0.03 1.14 -0.00 0.00 0.87 0.00 0.00 54.58 56.62 3i8i n ASN 192 Cb 0.58 -1.42 -0.00 0.00 -1.02 0.00 0.00 39.78 37.92 3i8i n ASN 192 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i8i n GLY 193 N 2.14 0.40 3.96 7.41 0.00 0.21 -4.98 105.19 114.32 3i8i n GLY 193 Ca 0.12 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.85 3i8i n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i8i s GLY 194 N -2.96 1.40 0.25 -0.02 0.00 -0.50 -4.87 107.32 100.62 3i8i s GLY 194 Ca 0.00 -1.16 -0.30 0.00 0.00 0.00 0.00 44.72 43.26 3i8i s GLY 194 CO 0.00 -1.17 0.96 -2.27 0.00 0.00 0.00 173.10 170.62 3i8i s LEU 195 N -3.69 4.63 0.34 0.66 2.96 -1.26 -3.51 118.68 118.80 3i8i s LEU 195 Ca 0.34 1.98 0.08 0.00 -0.22 0.00 0.00 54.13 56.31 3i8i s LEU 195 Cb -0.10 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 3i8i s LEU 195 CO 0.29 0.12 0.28 0.68 -1.32 0.00 0.00 176.35 176.39 3i8i s VAL 196 N -1.20 0.02 -0.28 1.68 -7.23 -0.23 -4.25 120.40 108.91 3i8i s VAL 196 Ca 0.42 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.42 3i8i s VAL 196 Cb -0.26 -2.49 0.08 0.00 0.56 0.00 0.00 36.38 34.27 3i8i s VAL 196 CO 0.33 0.00 0.70 0.27 -0.31 0.00 0.00 175.10 176.09 3i8i s ILE 197 N -3.40 0.00 0.02 -0.62 -4.36 -0.82 -2.06 121.20 109.96 3i8i s ILE 197 Ca 0.40 0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.80 3i8i s ILE 197 Cb 0.02 -1.00 -0.04 0.00 1.25 0.00 0.00 42.46 42.69 3i8i s ILE 197 CO 0.28 0.00 0.04 -0.69 0.24 0.00 0.00 174.94 174.81 3i8i s VAL 198 N 1.57 4.40 0.23 8.37 1.01 -0.96 -1.37 120.40 133.65 3i8i s VAL 198 Ca -0.10 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3i8i s VAL 198 Cb -0.05 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 3i8i s VAL 198 CO -0.19 0.30 0.10 -0.13 0.00 0.00 0.00 175.10 175.18 3i8i s ARG 199 N -1.83 1.31 0.13 2.72 0.52 -0.79 -4.26 118.95 116.76 3i8i s ARG 199 Ca 0.23 -1.70 -0.30 0.00 -0.52 0.00 0.00 55.73 53.44 3i8i s ARG 199 Cb -0.12 -0.10 -0.07 0.00 0.52 0.00 0.00 34.95 35.18 3i8i s ARG 199 CO 0.14 -0.31 1.21 -1.83 0.02 0.00 0.00 175.30 174.54 3i8i s GLU 200 N -4.06 4.46 0.48 3.54 1.03 -1.25 -1.63 118.70 121.27 3i8i s GLU 200 Ca 0.37 1.85 -0.20 0.00 0.03 0.00 0.00 54.97 57.01 3i8i s GLU 200 Cb 0.07 -3.28 -0.12 0.00 -0.80 0.00 0.00 34.13 30.00 3i8i s GLU 200 CO 0.12 -0.18 0.37 2.41 -1.33 0.00 0.00 175.26 176.65 3i8i n THR 201 N 3.16 1.49 1.14 1.83 -1.04 -0.35 -4.58 114.28 115.92 3i8i n THR 201 Ca 0.07 -0.50 0.12 0.00 -2.04 0.00 0.00 64.05 61.70 3i8i n THR 201 Cb 0.45 -0.43 0.30 0.00 -1.82 0.00 0.00 70.33 68.83 3i8i n THR 201 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3i8i n LYS 202 N 0.63 0.52 -0.21 -2.82 3.00 -1.26 -3.87 118.16 114.15 3i8i n LYS 202 Ca 0.11 -0.32 0.26 0.00 -0.00 0.00 0.00 58.31 58.36 3i8i n LYS 202 Cb 0.44 -1.49 0.65 0.00 0.00 0.00 0.00 35.03 34.62 3i8i n LYS 202 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 3i8i h LYS 203 N 0.78 0.14 0.00 1.64 5.09 -1.99 -3.44 116.57 118.79 3i8i h LYS 203 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.73 3i8i h LYS 203 Cb 0.51 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 32.81 3i8i h LYS 203 CO 0.00 0.09 0.00 0.00 -2.09 0.00 0.00 179.45 177.45 3i8i n ALA 204 N -2.64 0.00 -0.34 0.07 0.00 -1.25 -5.23 120.51 111.12 3i8i n ALA 204 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3i8i n ALA 204 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.34 3i8i n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50