#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n2i s ASN 2 N 0.00 3.76 0.35 7.83 0.01 -1.26 -5.11 114.94 120.52 3n2i s ASN 2 Ca 0.00 -1.26 -0.28 0.00 -0.71 0.00 0.00 52.86 50.60 3n2i s ASN 2 Cb 0.00 -0.36 -0.10 0.00 0.41 0.00 0.00 41.25 41.20 3n2i s ASN 2 CO 0.00 -0.30 1.33 0.00 -1.51 0.00 0.00 177.10 176.62 3n2i s ALA 3 N -2.66 3.47 0.18 0.60 0.00 -1.26 -5.04 121.76 117.04 3n2i s ALA 3 Ca 0.33 1.30 0.03 0.00 0.00 0.00 0.00 51.96 53.63 3n2i s ALA 3 Cb 0.05 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 3n2i s ALA 3 CO 0.17 -0.74 -0.03 0.15 0.00 0.00 0.00 175.76 175.31 3n2i s LYS 4 N -1.92 1.13 -0.26 0.00 -0.14 -1.26 -4.98 119.74 112.31 3n2i s LYS 4 Ca 0.51 -1.53 -0.02 0.00 -1.36 0.00 0.00 55.97 53.57 3n2i s LYS 4 Cb -0.40 -0.44 0.03 0.00 -1.68 0.00 0.00 37.83 35.34 3n2i s LYS 4 CO 0.54 -0.06 -0.05 0.12 -0.76 0.00 0.00 175.35 175.13 3n2i s PHE 5 N -3.52 3.10 -0.17 3.18 5.36 -1.26 -1.52 117.98 123.16 3n2i s PHE 5 Ca 0.22 -1.61 -0.04 0.00 -0.96 0.00 0.00 56.93 54.54 3n2i s PHE 5 Cb 0.05 -2.07 -0.03 0.00 -0.34 0.00 0.00 43.02 40.64 3n2i s PHE 5 CO 0.04 -0.74 -0.02 0.42 -1.46 0.00 0.00 175.22 173.45 3n2i s ILE 6 N 1.31 3.91 -0.03 3.12 1.01 0.17 -1.00 121.20 129.69 3n2i s ILE 6 Ca -0.01 -0.34 0.05 0.00 0.00 0.00 0.00 60.65 60.35 3n2i s ILE 6 Cb -0.17 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 3n2i s ILE 6 CO -0.04 0.47 -0.17 -0.69 0.00 0.00 0.00 174.94 174.51 3n2i s VAL 7 N 0.61 2.84 -0.16 2.92 1.01 0.41 -1.12 120.40 126.91 3n2i s VAL 7 Ca -0.02 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 3n2i s VAL 7 Cb -0.14 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3n2i s VAL 7 CO 0.02 0.56 0.02 -0.63 0.00 0.00 0.00 175.10 175.07 3n2i s ILE 8 N -0.74 4.43 0.35 2.22 -1.09 -0.19 -0.17 121.20 126.01 3n2i s ILE 8 Ca 0.12 -0.17 0.04 0.00 -2.23 0.00 0.00 60.65 58.40 3n2i s ILE 8 Cb -0.10 -2.96 -0.05 0.00 -1.58 0.00 0.00 42.46 37.76 3n2i s ILE 8 CO 0.01 0.49 0.08 -1.61 -1.23 0.00 0.00 174.94 172.68 3n2i s GLU 9 N 0.19 1.73 0.00 2.79 0.41 -0.27 -1.00 118.70 122.55 3n2i s GLU 9 Ca 0.02 -1.99 0.00 0.00 -0.41 0.00 0.00 54.97 52.58 3n2i s GLU 9 Cb -0.13 -0.79 0.00 0.00 -1.78 0.00 0.00 34.13 31.43 3n2i s GLU 9 CO 0.01 -0.28 0.00 0.41 -0.49 0.00 0.00 175.26 174.92 3n2i n GLY 10 N -0.75 3.11 3.75 -1.39 0.00 -1.26 -1.91 105.19 106.74 3n2i n GLY 10 Ca -0.04 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 3n2i n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n2i s LEU 11 N 0.00 2.94 0.41 0.99 1.43 -1.26 -4.97 118.68 118.23 3n2i s LEU 11 Ca 0.00 1.85 -0.25 0.00 -1.03 0.00 0.00 54.13 54.70 3n2i s LEU 11 Cb 0.00 -4.48 -0.08 0.00 0.03 0.00 0.00 46.19 41.66 3n2i s LEU 11 CO 0.00 -2.23 1.19 -0.70 0.23 0.00 0.00 176.35 174.84 3n2i s GLU 12 N -4.87 3.99 0.00 1.70 2.56 -1.26 -2.82 118.70 117.99 3n2i s GLU 12 Ca 0.62 1.87 0.00 0.00 0.00 0.00 0.00 54.97 57.46 3n2i s GLU 12 Cb -0.18 -2.64 0.00 0.00 2.00 0.00 0.00 34.13 33.31 3n2i s GLU 12 CO 0.56 -0.39 0.00 0.41 -0.56 0.00 0.00 175.26 175.29 3n2i n GLY 13 N 0.61 0.66 0.08 -1.50 0.00 -1.25 -4.20 105.19 99.58 3n2i n GLY 13 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.22 3n2i n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n2i n ALA 14 N -1.15 2.65 -2.34 4.61 0.00 -1.13 -4.70 120.51 118.44 3n2i n ALA 14 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 53.44 53.20 3n2i n ALA 14 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.01 3n2i n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n2i n GLY 15 N 1.12 0.67 0.34 0.00 0.00 -1.26 -4.90 105.19 101.17 3n2i n GLY 15 Ca 0.20 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.65 3n2i n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n2i h LYS 16 N -0.12 1.04 -0.01 1.61 1.57 -1.91 -1.84 116.57 116.92 3n2i h LYS 16 Ca -0.03 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.51 3n2i h LYS 16 Cb 1.02 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 3n2i h LYS 16 CO 0.03 0.75 -0.63 0.66 -0.57 0.00 0.00 179.45 179.68 3n2i h SER 17 N 1.05 0.06 -0.24 0.86 4.64 -1.99 0.13 113.55 118.06 3n2i h SER 17 Ca 0.27 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.52 3n2i h SER 17 Cb -0.00 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 3n2i h SER 17 CO -0.05 0.68 0.03 0.74 -0.87 0.00 0.00 176.83 177.36 3n2i h THR 18 N 0.04 1.23 -0.86 2.95 2.02 -1.84 -2.47 112.91 113.97 3n2i h THR 18 Ca -0.01 -0.78 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 3n2i h THR 18 Cb 1.12 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 68.77 3n2i h THR 18 CO 0.09 0.25 0.53 0.00 0.37 0.00 0.00 175.52 176.75 3n2i h ALA 19 N 0.85 1.10 -0.13 6.16 0.00 -0.70 -0.20 119.26 126.34 3n2i h ALA 19 Ca 0.07 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3n2i h ALA 19 Cb 0.33 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3n2i h ALA 19 CO 0.01 0.56 0.01 0.82 0.00 0.00 0.00 179.25 180.64 3n2i h ILE 20 N 1.19 0.93 -0.75 0.00 2.04 -0.69 0.21 117.51 120.43 3n2i h ILE 20 Ca 0.31 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 66.14 3n2i h ILE 20 Cb -0.06 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3n2i h ILE 20 CO -0.06 0.01 0.41 -0.61 0.00 0.00 0.00 178.15 177.90 3n2i h GLN 21 N 0.06 1.05 -0.27 2.37 5.75 -0.98 -0.17 115.11 122.91 3n2i h GLN 21 Ca 0.06 -0.12 0.02 0.00 -0.15 0.00 0.00 58.65 58.45 3n2i h GLN 21 Cb 0.06 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 3n2i h GLN 21 CO -0.09 0.78 0.13 0.28 -2.65 0.00 0.00 178.83 177.28 3n2i h VAL 22 N 1.04 1.00 -0.63 2.39 2.07 -0.64 0.20 116.25 121.67 3n2i h VAL 22 Ca 0.26 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.70 3n2i h VAL 22 Cb 0.04 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3n2i h VAL 22 CO -0.04 0.05 0.41 0.58 0.02 0.00 0.00 177.57 178.58 3n2i h VAL 23 N 0.28 1.12 0.34 2.57 2.07 -0.54 -0.69 116.25 121.41 3n2i h VAL 23 Ca 0.11 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3n2i h VAL 23 Cb 0.03 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3n2i h VAL 23 CO -0.07 0.15 -0.16 0.58 0.02 0.00 0.00 177.57 178.08 3n2i h VAL 24 N 0.81 0.68 -0.79 2.57 2.07 -0.58 -2.40 116.25 118.62 3n2i h VAL 24 Ca 0.24 -0.27 0.12 0.00 0.82 0.00 0.00 66.70 67.61 3n2i h VAL 24 Cb -0.04 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 3n2i h VAL 24 CO -0.08 0.05 0.52 -0.33 0.02 0.00 0.00 177.57 177.76 3n2i h GLU 25 N -0.60 0.60 -0.11 1.57 5.08 -0.66 -1.19 114.58 119.27 3n2i h GLU 25 Ca -0.05 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3n2i h GLU 25 Cb 0.44 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3n2i h GLU 25 CO 0.08 0.39 0.06 1.15 -1.00 0.00 0.00 179.01 179.69 3n2i h THR 26 N 0.61 1.10 -0.92 1.13 2.02 -0.85 -0.97 112.91 115.05 3n2i h THR 26 Ca 0.38 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.28 3n2i h THR 26 Cb 0.61 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 68.07 3n2i h THR 26 CO -0.14 0.09 0.59 -0.07 0.37 0.00 0.00 175.52 176.35 3n2i h LEU 27 N 0.07 1.07 -0.22 2.58 3.38 -0.82 -2.18 115.31 119.20 3n2i h LEU 27 Ca 0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3n2i h LEU 27 Cb 0.09 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3n2i h LEU 27 CO -0.01 0.79 0.13 1.56 0.09 0.00 0.00 178.44 181.01 3n2i h GLN 28 N 1.25 0.29 -0.23 1.13 4.20 -0.99 -0.45 115.11 120.31 3n2i h GLN 28 Ca 0.33 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.09 3n2i h GLN 28 Cb -0.11 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 3n2i h GLN 28 CO -0.07 0.23 0.20 1.96 -0.67 0.00 0.00 178.83 180.48 3n2i h GLN 29 N 0.27 0.00 -0.78 1.46 4.20 -0.82 -0.58 115.11 118.86 3n2i h GLN 29 Ca 0.08 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 3n2i h GLN 29 Cb 0.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3n2i h GLN 29 CO -0.02 0.00 0.05 0.09 -0.67 0.00 0.00 178.83 178.28 3n2i n ASN 30 N -4.10 3.83 0.00 1.46 3.02 -0.26 -4.90 115.26 114.30 3n2i n ASN 30 Ca 0.03 -2.61 0.00 0.00 -0.03 0.00 0.00 54.58 51.96 3n2i n ASN 30 Cb 0.34 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 3n2i n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3n2i n GLY 31 N 0.28 0.55 3.35 7.41 0.00 -0.23 -5.00 105.19 111.54 3n2i n GLY 31 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 3n2i n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n2i s ILE 32 N -2.28 5.09 -0.62 -0.61 1.01 -0.69 -4.90 121.20 118.18 3n2i s ILE 32 Ca 0.00 -1.25 0.15 0.00 0.00 0.00 0.00 60.65 59.55 3n2i s ILE 32 Cb 0.00 -4.12 -0.17 0.00 0.01 0.00 0.00 42.46 38.18 3n2i s ILE 32 CO 0.00 -0.66 0.60 0.47 0.00 0.00 0.00 174.94 175.35 3n2i n ASP 33 N 5.18 0.80 -4.28 3.58 10.43 -1.26 -3.02 116.55 127.97 3n2i n ASP 33 Ca -0.12 -0.75 -0.45 0.00 2.57 0.00 0.00 54.79 56.04 3n2i n ASP 33 Cb 0.42 1.09 -0.05 0.00 1.84 0.00 0.00 41.12 44.42 3n2i n ASP 33 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 3n2i s HIS 34 N -2.50 3.41 -0.01 1.24 3.76 -1.26 -5.04 115.29 114.90 3n2i s HIS 34 Ca 0.04 -1.65 0.03 0.00 -0.15 0.00 0.00 55.06 53.33 3n2i s HIS 34 Cb 0.11 -3.71 -0.00 0.00 1.11 0.00 0.00 32.58 30.09 3n2i s HIS 34 CO 0.62 -1.00 -0.09 0.42 -0.85 0.00 0.00 174.74 173.84 3n2i s ILE 35 N 1.14 0.73 -0.14 0.60 1.01 -1.26 -2.79 121.20 120.49 3n2i s ILE 35 Ca 0.08 -0.37 -0.04 0.00 0.00 0.00 0.00 60.65 60.32 3n2i s ILE 35 Cb -0.24 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 3n2i s ILE 35 CO -0.01 0.22 -0.02 -0.89 0.00 0.00 0.00 174.94 174.24 3n2i s THR 36 N -0.03 4.06 -0.07 2.92 2.01 0.00 -4.97 115.64 119.56 3n2i s THR 36 Ca 0.01 -0.31 -0.02 0.00 0.31 0.00 0.00 61.69 61.68 3n2i s THR 36 Cb -0.06 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 3n2i s THR 36 CO -0.00 0.51 0.02 -0.13 -0.69 0.00 0.00 174.62 174.34 3n2i s ARG 37 N 0.09 3.00 0.17 4.92 0.52 -1.26 -1.03 118.95 125.36 3n2i s ARG 37 Ca 0.00 -0.42 -0.01 0.00 -0.52 0.00 0.00 55.73 54.78 3n2i s ARG 37 Cb -0.13 -2.82 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 3n2i s ARG 37 CO 0.02 0.69 0.10 0.95 0.02 0.00 0.00 175.30 177.09 3n2i s THR 38 N -0.96 0.04 0.02 0.02 -4.23 -0.63 -4.97 115.64 104.93 3n2i s THR 38 Ca 0.15 -1.96 -0.06 0.00 -1.18 0.00 0.00 61.69 58.65 3n2i s THR 38 Cb -0.11 -2.30 -0.01 0.00 1.34 0.00 0.00 72.50 71.42 3n2i s THR 38 CO 0.05 -0.20 0.11 0.00 -0.54 0.00 0.00 174.62 174.04 3n2i s ARG 39 N -4.11 0.53 0.02 3.99 1.70 -1.26 -0.82 118.95 118.99 3n2i s ARG 39 Ca 0.32 -0.59 0.02 0.00 -0.47 0.00 0.00 55.73 55.02 3n2i s ARG 39 Cb 0.07 0.21 -0.01 0.00 -0.57 0.00 0.00 34.95 34.65 3n2i s ARG 39 CO 0.08 -0.13 -0.08 -1.21 -1.08 0.00 0.00 175.30 172.88 3n2i s GLU 40 N -2.01 0.55 0.30 3.89 2.02 -0.19 -2.58 118.70 120.68 3n2i s GLU 40 Ca -0.10 -0.45 -0.29 0.00 0.02 0.00 0.00 54.97 54.14 3n2i s GLU 40 Cb -0.05 -0.47 -0.10 0.00 0.10 0.00 0.00 34.13 33.62 3n2i s GLU 40 CO -0.02 0.12 1.27 -2.14 0.02 0.00 0.00 175.26 174.51 3n2i s PRO 41 N -0.73 4.41 0.00 0.39 0.02 -1.26 -4.75 135.00 133.09 3n2i s PRO 41 Ca -0.02 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.12 3n2i s PRO 41 Cb -0.05 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.35 3n2i s PRO 41 CO 0.00 -0.13 0.00 0.41 -0.33 0.00 0.00 177.00 176.95 3n2i n GLY 42 N 1.18 0.42 1.35 0.52 0.00 -1.07 -4.62 105.19 102.98 3n2i n GLY 42 Ca 0.01 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.41 3n2i n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n2i n GLY 43 N 0.00 1.12 3.11 -0.02 0.00 -1.22 -4.69 105.19 103.50 3n2i n GLY 43 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3n2i n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3n2i s THR 44 N -2.62 0.20 0.15 2.61 -4.23 -1.26 -4.98 115.64 105.51 3n2i s THR 44 Ca 0.00 -1.77 -0.22 0.00 -1.18 0.00 0.00 61.69 58.52 3n2i s THR 44 Cb 0.00 -1.57 0.02 0.00 1.34 0.00 0.00 72.50 72.29 3n2i s THR 44 CO 0.00 -0.90 1.64 -0.07 -0.54 0.00 0.00 174.62 174.75 3n2i h LEU 45 N 3.08 -0.71 -0.51 4.79 3.38 -1.99 0.23 115.31 123.57 3n2i h LEU 45 Ca -0.34 0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 3n2i h LEU 45 Cb 1.15 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 3n2i h LEU 45 CO 0.64 -0.26 -0.02 0.25 0.09 0.00 0.00 178.44 179.14 3n2i h LEU 46 N -0.24 0.91 -1.03 1.67 5.85 -1.99 -1.90 115.31 118.57 3n2i h LEU 46 Ca 0.13 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.56 3n2i h LEU 46 Cb 0.44 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 3n2i h LEU 46 CO -0.36 1.00 0.65 0.00 -0.34 0.00 0.00 178.44 179.40 3n2i h ALA 47 N 0.93 1.33 -0.55 1.25 0.00 -1.67 -0.54 119.26 120.02 3n2i h ALA 47 Ca 0.14 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3n2i h ALA 47 Cb 0.55 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3n2i h ALA 47 CO 0.03 0.60 0.00 0.93 0.00 0.00 0.00 179.25 180.81 3n2i h GLU 48 N 1.29 0.95 -0.76 0.00 4.39 -0.34 -0.11 114.58 120.01 3n2i h GLU 48 Ca 0.38 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.75 3n2i h GLU 48 Cb -0.08 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.44 3n2i h GLU 48 CO -0.10 0.93 0.29 0.87 -1.16 0.00 0.00 179.01 179.84 3n2i h LYS 49 N 0.87 1.14 -0.53 2.33 1.57 -0.62 -2.25 116.57 119.08 3n2i h LYS 49 Ca 0.16 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 3n2i h LYS 49 Cb 0.51 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3n2i h LYS 49 CO 0.03 0.93 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.68 3n2i h LEU 50 N 1.10 1.00 -0.27 2.94 3.38 -0.60 -2.07 115.31 120.78 3n2i h LEU 50 Ca 0.25 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.94 3n2i h LEU 50 Cb 0.23 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 3n2i h LEU 50 CO -0.02 1.11 -0.15 -0.09 0.09 0.00 0.00 178.44 179.38 3n2i h ARG 51 N 0.87 -0.12 -0.77 1.13 2.43 -0.73 -0.61 114.38 116.57 3n2i h ARG 51 Ca 0.14 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.38 3n2i h ARG 51 Cb 0.65 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.17 3n2i h ARG 51 CO 0.05 -0.08 0.46 0.00 -1.51 0.00 0.00 179.97 178.89 3n2i h ALA 52 N 1.08 1.05 -0.92 2.80 0.00 -1.23 0.16 119.26 122.20 3n2i h ALA 52 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3n2i h ALA 52 Cb 0.34 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3n2i h ALA 52 CO -0.35 0.19 0.60 -0.07 0.00 0.00 0.00 179.25 179.62 3n2i h LEU 53 N 0.85 1.06 -0.50 0.00 3.38 -0.66 -2.13 115.31 117.31 3n2i h LEU 53 Ca 0.34 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 58.13 3n2i h LEU 53 Cb 0.17 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3n2i h LEU 53 CO -0.17 0.77 -0.38 0.58 0.09 0.00 0.00 178.44 179.33 3n2i h VAL 54 N 1.25 1.28 0.00 1.22 2.07 -0.02 -3.26 116.25 118.79 3n2i h VAL 54 Ca 0.33 -1.56 -0.07 0.00 0.82 0.00 0.00 66.70 66.23 3n2i h VAL 54 Cb -0.13 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3n2i h VAL 54 CO -0.07 0.51 -0.35 0.11 0.02 0.00 0.00 177.57 177.79 3n2i h LYS 55 N 0.66 0.00 -7.10 1.57 1.57 -0.92 -3.44 116.57 108.92 3n2i h LYS 55 Ca 0.06 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.34 3n2i h LYS 55 Cb 0.94 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.30 3n2i h LYS 55 CO 0.09 0.35 0.22 -1.21 -0.57 0.00 0.00 179.45 178.33 3n2i s GLU 56 N -3.25 3.46 0.39 3.15 2.02 -0.81 -1.07 118.70 122.59 3n2i s GLU 56 Ca 0.03 0.35 -0.05 0.00 0.02 0.00 0.00 54.97 55.32 3n2i s GLU 56 Cb 0.08 -2.26 -0.04 0.00 0.10 0.00 0.00 34.13 32.01 3n2i s GLU 56 CO 0.70 -0.40 0.67 -1.21 0.02 0.00 0.00 175.26 175.04 3n2i s GLU 57 N -4.92 3.59 -0.14 1.61 0.41 -1.26 -4.78 118.70 113.20 3n2i s GLU 57 Ca 0.51 0.07 0.00 0.00 -0.41 0.00 0.00 54.97 55.14 3n2i s GLU 57 Cb -0.11 -2.51 0.02 0.00 -1.78 0.00 0.00 34.13 29.76 3n2i s GLU 57 CO 0.48 0.00 -0.13 -1.01 -0.49 0.00 0.00 175.26 174.11 3n2i s HIS 58 N -2.43 2.09 0.05 1.61 3.76 -1.26 -5.11 115.29 114.00 3n2i s HIS 58 Ca 0.45 -1.17 -0.30 0.00 -0.15 0.00 0.00 55.06 53.89 3n2i s HIS 58 Cb -0.10 -1.55 -0.05 0.00 1.11 0.00 0.00 32.58 31.98 3n2i s HIS 58 CO 0.37 -0.65 1.13 -1.25 -0.85 0.00 0.00 174.74 173.48 3n2i s PRO 59 N 1.51 4.48 -0.55 8.40 0.04 -1.26 -2.76 135.00 144.87 3n2i s PRO 59 Ca 0.05 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.75 3n2i s PRO 59 Cb -0.13 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.04 3n2i s PRO 59 CO -0.10 -0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.18 3n2i n GLY 60 N 3.04 0.41 3.64 0.56 0.00 -1.26 -5.02 105.19 106.57 3n2i n GLY 60 Ca 0.08 -0.71 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 3n2i n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3n2i s GLU 61 N -3.57 0.64 -0.23 1.61 2.12 -1.11 -5.13 118.70 113.04 3n2i s GLU 61 Ca 0.00 1.30 -0.23 0.00 0.36 0.00 0.00 54.97 56.39 3n2i s GLU 61 Cb 0.00 0.43 -0.01 0.00 0.26 0.00 0.00 34.13 34.81 3n2i s GLU 61 CO 0.00 -0.17 0.76 -2.00 -0.54 0.00 0.00 175.26 173.32 3n2i s GLU 62 N 2.14 4.19 -0.50 4.30 2.12 -1.26 -4.36 118.70 125.33 3n2i s GLU 62 Ca -0.08 0.83 -0.28 0.00 0.36 0.00 0.00 54.97 55.80 3n2i s GLU 62 Cb -0.08 -3.63 0.03 0.00 0.26 0.00 0.00 34.13 30.72 3n2i s GLU 62 CO -0.19 -0.43 1.12 -1.17 -0.54 0.00 0.00 175.26 174.04 3n2i s LEU 63 N 2.54 3.66 0.56 2.70 0.20 -1.26 -4.99 118.68 122.09 3n2i s LEU 63 Ca 0.33 0.30 -0.20 0.00 0.69 0.00 0.00 54.13 55.25 3n2i s LEU 63 Cb -0.16 -3.38 -0.05 0.00 -0.43 0.00 0.00 46.19 42.17 3n2i s LEU 63 CO 0.09 -1.28 1.18 -1.10 -0.29 0.00 0.00 176.35 174.95 3n2i s GLN 64 N 4.47 3.20 0.13 1.98 -1.52 -1.26 -4.86 119.66 121.80 3n2i s GLN 64 Ca 0.45 1.77 -0.18 0.00 -1.95 0.00 0.00 55.36 55.44 3n2i s GLN 64 Cb -0.08 -2.02 -0.03 0.00 -0.22 0.00 0.00 33.01 30.66 3n2i s GLN 64 CO 0.29 -1.01 1.78 -0.44 -0.25 0.00 0.00 175.29 175.66 3n2i h ASP 65 N 1.15 0.26 -0.90 5.90 3.32 -1.99 -0.78 116.42 123.38 3n2i h ASP 65 Ca -0.50 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.59 3n2i h ASP 65 Cb 1.28 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.72 3n2i h ASP 65 CO 0.56 0.19 0.58 0.40 -1.72 0.00 0.00 179.24 179.26 3n2i h ILE 66 N 0.33 1.13 -0.26 0.35 1.08 -2.00 -1.60 117.51 116.55 3n2i h ILE 66 Ca 0.10 -0.38 0.05 0.00 -0.39 0.00 0.00 64.86 64.24 3n2i h ILE 66 Cb -0.01 -0.08 -0.04 0.00 -3.07 0.00 0.00 36.82 33.62 3n2i h ILE 66 CO -0.04 0.20 -0.02 0.74 -0.69 0.00 0.00 178.15 178.34 3n2i h THR 67 N 1.12 0.80 -0.53 -0.27 2.02 -1.72 0.11 112.91 114.43 3n2i h THR 67 Ca 0.37 -0.02 0.11 0.00 0.77 0.00 0.00 66.41 67.63 3n2i h THR 67 Cb 0.03 0.74 -0.10 0.00 -1.74 0.00 0.00 68.15 67.08 3n2i h THR 67 CO -0.13 0.01 -0.14 -0.08 0.37 0.00 0.00 175.52 175.56 3n2i h GLU 68 N 0.06 -0.00 -0.74 6.66 4.81 -0.40 0.24 114.58 125.21 3n2i h GLU 68 Ca 0.12 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3n2i h GLU 68 Cb 0.17 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3n2i h GLU 68 CO -0.22 -0.00 0.27 1.25 -0.73 0.00 0.00 179.01 179.57 3n2i h LEU 69 N -0.00 1.05 -0.74 1.64 5.85 -0.35 -2.04 115.31 120.71 3n2i h LEU 69 Ca 0.26 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3n2i h LEU 69 Cb 0.39 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3n2i h LEU 69 CO -0.55 0.95 0.36 -0.07 -0.34 0.00 0.00 178.44 178.79 3n2i h LEU 70 N 1.08 0.97 -0.39 2.25 3.38 0.16 -0.88 115.31 121.88 3n2i h LEU 70 Ca 0.24 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 3n2i h LEU 70 Cb 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3n2i h LEU 70 CO -0.01 0.83 -0.16 -0.07 0.09 0.00 0.00 178.44 179.12 3n2i h LEU 71 N 1.04 0.81 -1.06 1.67 3.38 -0.63 0.84 115.31 121.36 3n2i h LEU 71 Ca 0.26 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 3n2i h LEU 71 Cb 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3n2i h LEU 71 CO -0.03 1.02 -0.18 -0.37 0.09 0.00 0.00 178.44 178.97 3n2i h VAL 72 N 0.59 1.24 -0.29 1.22 -1.51 -1.25 -0.72 116.25 115.52 3n2i h VAL 72 Ca 0.09 -1.10 -0.12 0.00 -1.23 0.00 0.00 66.70 64.34 3n2i h VAL 72 Cb 0.70 1.24 -0.00 0.00 -2.13 0.00 0.00 31.29 31.10 3n2i h VAL 72 CO 0.05 0.35 -0.30 1.88 -1.23 0.00 0.00 177.57 178.32 3n2i h TYR 73 N 0.42 0.86 -0.34 5.19 -1.99 -0.62 -0.35 116.97 120.14 3n2i h TYR 73 Ca 0.07 -0.26 0.03 0.00 2.00 0.00 0.00 58.73 60.57 3n2i h TYR 73 Cb 0.55 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 39.07 3n2i h TYR 73 CO 0.02 1.01 0.16 0.00 -0.00 0.00 0.00 178.16 179.35 3n2i h ALA 74 N 0.71 0.41 -0.58 3.88 0.00 -0.62 0.16 119.26 123.21 3n2i h ALA 74 Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3n2i h ALA 74 Cb 0.87 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3n2i h ALA 74 CO 0.07 -0.22 0.28 0.00 0.00 0.00 0.00 179.25 179.39 3n2i h ALA 75 N 1.18 1.40 -0.51 0.00 0.00 -1.00 -2.77 119.26 117.56 3n2i h ALA 75 Ca 0.14 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3n2i h ALA 75 Cb 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3n2i h ALA 75 CO -0.11 0.47 -0.00 -0.09 0.00 0.00 0.00 179.25 179.52 3n2i h ARG 76 N 0.81 0.90 -0.97 0.00 2.43 0.83 -2.60 114.38 115.78 3n2i h ARG 76 Ca 0.20 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3n2i h ARG 76 Cb 0.08 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 3n2i h ARG 76 CO -0.03 0.93 0.62 0.28 -1.51 0.00 0.00 179.97 180.26 3n2i h VAL 77 N 0.77 1.26 -0.50 0.20 2.07 -0.62 -0.72 116.25 118.70 3n2i h VAL 77 Ca 0.14 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 3n2i h VAL 77 Cb 0.53 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3n2i h VAL 77 CO 0.03 0.25 0.19 1.56 0.02 0.00 0.00 177.57 179.63 3n2i h GLN 78 N 1.32 0.75 -0.04 1.57 1.08 -1.26 -0.57 115.11 117.96 3n2i h GLN 78 Ca 0.35 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 3n2i h GLN 78 Cb -0.12 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.19 3n2i h GLN 78 CO -0.07 0.67 -0.02 1.25 -0.95 0.00 0.00 178.83 179.71 3n2i h LEU 79 N 0.67 0.10 -0.28 1.46 5.85 -1.08 -0.43 115.31 121.59 3n2i h LEU 79 Ca 0.17 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 3n2i h LEU 79 Cb 0.21 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3n2i h LEU 79 CO -0.01 0.50 0.17 0.58 -0.34 0.00 0.00 178.44 179.33 3n2i h VAL 80 N -0.30 1.10 -0.01 1.05 2.07 -1.06 0.21 116.25 119.30 3n2i h VAL 80 Ca 0.01 -0.22 -0.18 0.00 0.82 0.00 0.00 66.70 67.13 3n2i h VAL 80 Cb 0.46 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3n2i h VAL 80 CO 0.01 0.09 -0.79 -0.33 0.02 0.00 0.00 177.57 176.57 3n2i h GLU 81 N 0.36 0.18 0.00 1.57 4.39 -1.11 0.41 114.58 120.37 3n2i h GLU 81 Ca 0.10 -0.17 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 3n2i h GLU 81 Cb 0.00 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 3n2i h GLU 81 CO -0.02 0.88 -1.89 0.09 -1.16 0.00 0.00 179.01 176.91 3n2i n ASN 82 N -3.71 0.21 0.00 1.42 3.02 -0.17 -4.51 115.26 111.52 3n2i n ASN 82 Ca -0.03 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 3n2i n ASN 82 Cb 0.75 1.37 0.00 0.00 -0.61 0.00 0.00 39.78 41.29 3n2i n ASN 82 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3n2i n VAL 83 N -2.49 0.00 0.13 2.41 0.31 -0.16 -4.74 118.33 113.79 3n2i n VAL 83 Ca -0.10 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.14 3n2i n VAL 83 Cb 0.73 -1.29 -0.05 0.00 -0.91 0.00 0.00 33.84 32.32 3n2i n VAL 83 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3n2i h ILE 84 N 0.00 0.22 -0.79 2.52 2.04 -0.99 -2.58 117.51 117.93 3n2i h ILE 84 Ca 0.00 -0.77 0.08 0.00 1.00 0.00 0.00 64.86 65.17 3n2i h ILE 84 Cb 0.84 0.37 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 3n2i h ILE 84 CO 0.00 0.06 0.46 0.11 0.00 0.00 0.00 178.15 178.77 3n2i h LYS 85 N -1.06 0.77 -0.30 2.37 1.57 -1.15 -1.35 116.57 117.43 3n2i h LYS 85 Ca -0.04 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 3n2i h LYS 85 Cb 0.41 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3n2i h LYS 85 CO 0.07 0.51 -0.16 -1.35 -0.57 0.00 0.00 179.45 177.95 3n2i h PRO 86 N 0.80 0.52 0.01 3.15 0.11 -1.78 -1.41 132.00 133.40 3n2i h PRO 86 Ca 0.37 -0.17 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 3n2i h PRO 86 Cb 0.29 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.35 3n2i h PRO 86 CO -0.22 0.67 -0.01 0.00 -0.21 0.00 0.00 178.00 178.23 3n2i h ALA 87 N 1.35 -0.02 -1.00 -0.75 0.00 -1.02 -1.90 119.26 115.93 3n2i h ALA 87 Ca 0.08 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3n2i h ALA 87 Cb 0.56 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 3n2i h ALA 87 CO 0.04 -0.40 0.66 -0.07 0.00 0.00 0.00 179.25 179.48 3n2i h LEU 88 N -0.24 1.12 -1.75 0.00 3.38 -1.11 -0.84 115.31 115.88 3n2i h LEU 88 Ca -0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3n2i h LEU 88 Cb 0.23 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3n2i h LEU 88 CO 0.00 0.79 -0.13 0.00 0.09 0.00 0.00 178.44 179.19 3n2i h ALA 89 N 1.38 1.75 -0.15 1.53 0.00 -1.07 -2.18 119.26 120.52 3n2i h ALA 89 Ca 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3n2i h ALA 89 Cb -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3n2i h ALA 89 CO -0.10 0.17 0.00 0.54 0.00 0.00 0.00 179.25 179.86 3n2i n ARG 90 N -4.34 1.67 -0.73 0.00 1.74 -0.54 -4.92 116.66 109.54 3n2i n ARG 90 Ca -0.03 -1.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.05 3n2i n ARG 90 Cb 0.20 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 3n2i n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3n2i n GLY 91 N 1.10 0.63 3.79 -0.13 0.00 -0.82 -5.05 105.19 104.71 3n2i n GLY 91 Ca 0.16 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3n2i n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3n2i s GLU 92 N -0.42 4.07 0.41 1.61 2.02 -0.43 -4.67 118.70 121.30 3n2i s GLU 92 Ca 0.00 0.41 -0.16 0.00 0.02 0.00 0.00 54.97 55.24 3n2i s GLU 92 Cb 0.00 -3.30 -0.09 0.00 0.10 0.00 0.00 34.13 30.85 3n2i s GLU 92 CO 0.00 0.51 0.86 -1.58 0.02 0.00 0.00 175.26 175.06 3n2i s TRP 93 N -0.49 3.40 -0.09 1.61 0.52 -1.12 -3.37 118.94 119.40 3n2i s TRP 93 Ca 0.24 1.34 0.03 0.00 0.02 0.00 0.00 56.10 57.73 3n2i s TRP 93 Cb -0.16 -2.65 0.01 0.00 -1.15 0.00 0.00 33.47 29.51 3n2i s TRP 93 CO 0.12 -0.11 -0.19 0.08 0.02 0.00 0.00 176.95 176.87 3n2i s VAL 94 N -2.27 1.67 -0.26 4.03 1.01 -0.58 -0.82 120.40 123.19 3n2i s VAL 94 Ca 0.57 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 3n2i s VAL 94 Cb -0.10 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.83 3n2i s VAL 94 CO 0.23 0.47 -0.05 -0.69 0.00 0.00 0.00 175.10 175.06 3n2i s VAL 95 N 0.58 2.89 0.06 2.92 1.01 -0.20 -0.66 120.40 127.01 3n2i s VAL 95 Ca -0.15 -1.08 0.06 0.00 0.00 0.00 0.00 61.98 60.81 3n2i s VAL 95 Cb -0.17 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 3n2i s VAL 95 CO 0.05 0.15 -0.11 -0.83 0.00 0.00 0.00 175.10 174.36 3n2i s GLY 96 N 1.31 1.72 -0.65 4.51 0.00 -0.28 -1.61 107.32 112.33 3n2i s GLY 96 Ca -0.01 -1.16 -0.15 0.00 0.00 0.00 0.00 44.72 43.40 3n2i s GLY 96 CO -0.04 -1.08 0.61 -0.35 0.00 0.00 0.00 173.10 172.24 3n2i s ASP 97 N -1.76 6.40 0.17 1.64 -1.08 -0.00 -1.02 116.67 121.01 3n2i s ASP 97 Ca 0.18 -2.11 0.00 0.00 -0.52 0.00 0.00 52.55 50.11 3n2i s ASP 97 Cb -0.11 -2.21 0.00 0.00 -1.46 0.00 0.00 42.92 39.14 3n2i s ASP 97 CO 0.10 -0.76 0.00 0.54 0.52 0.00 0.00 175.17 175.56 3n2i n ARG 98 N 4.82 -1.09 0.00 4.34 1.74 -0.17 -1.02 116.66 125.28 3n2i n ARG 98 Ca -0.04 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 57.90 3n2i n ARG 98 Cb 0.43 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 3n2i n ARG 98 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 3n2i n HIS 99 N -1.99 0.00 0.30 -1.55 -0.00 -1.26 -4.24 115.22 106.47 3n2i n HIS 99 Ca -0.01 0.00 0.17 0.00 0.46 0.00 0.00 57.72 58.34 3n2i n HIS 99 Cb 0.15 0.00 0.96 0.00 -0.12 0.00 0.00 29.99 30.98 3n2i n HIS 99 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 3n2i h ASP 100 N 0.00 0.00 0.11 0.26 3.58 -2.00 -1.63 116.42 116.73 3n2i h ASP 100 Ca 0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 3n2i h ASP 100 Cb 0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 3n2i h ASP 100 CO 0.00 0.02 -0.10 -0.03 -2.88 0.00 0.00 179.24 176.25 3n2i h MET 101 N 0.00 0.00 -0.79 0.28 4.05 -2.00 -1.55 114.93 114.91 3n2i h MET 101 Ca -0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 3n2i h MET 101 Cb 0.08 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.85 3n2i h MET 101 CO 0.00 0.10 0.34 0.77 0.23 0.00 0.00 176.91 178.35 3n2i h SER 102 N 0.00 1.07 -0.43 1.39 0.02 -1.69 -2.07 113.55 111.84 3n2i h SER 102 Ca -0.00 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.71 3n2i h SER 102 Cb 0.18 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 3n2i h SER 102 CO 0.01 0.94 0.01 0.28 -1.14 0.00 0.00 176.83 176.93 3n2i h SER 103 N 1.14 0.79 -0.50 3.07 0.02 -1.44 0.74 113.55 117.38 3n2i h SER 103 Ca 0.27 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3n2i h SER 103 Cb 0.18 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3n2i h SER 103 CO -0.03 0.85 0.26 1.56 -1.14 0.00 0.00 176.83 178.33 3n2i h GLN 104 N 0.77 0.70 0.04 3.45 1.08 -1.27 0.58 115.11 120.46 3n2i h GLN 104 Ca 0.15 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3n2i h GLN 104 Cb 0.45 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 3n2i h GLN 104 CO 0.02 0.57 -0.02 0.00 -0.95 0.00 0.00 178.83 178.45 3n2i h ALA 105 N 1.10 -0.06 0.22 3.87 0.00 -1.21 0.13 119.26 123.31 3n2i h ALA 105 Ca 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3n2i h ALA 105 Cb 0.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3n2i h ALA 105 CO -0.02 -0.11 -0.10 1.88 0.00 0.00 0.00 179.25 180.89 3n2i h TYR 106 N -0.90 -0.27 0.24 0.00 0.05 -0.93 0.14 116.97 115.30 3n2i h TYR 106 Ca -0.01 -0.01 -0.33 0.00 0.05 0.00 0.00 58.73 58.44 3n2i h TYR 106 Cb 0.66 0.09 0.03 0.00 1.01 0.00 0.00 36.73 38.53 3n2i h TYR 106 CO 0.16 0.12 -1.47 1.96 -1.05 0.00 0.00 178.16 177.89 3n2i h GLN 107 N -0.87 0.50 0.21 4.88 7.50 -1.12 -1.33 115.11 124.87 3n2i h GLN 107 Ca -0.03 -0.86 -0.01 0.00 0.50 0.00 0.00 58.65 58.25 3n2i h GLN 107 Cb 0.51 0.32 0.00 0.00 0.05 0.00 0.00 27.48 28.36 3n2i h GLN 107 CO 0.05 1.41 -0.10 0.78 -1.50 0.00 0.00 178.83 179.47 3n2i h GLY 108 N 0.39 -0.29 0.56 3.46 0.00 -0.38 -2.93 103.07 103.87 3n2i h GLY 108 Ca -0.25 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 3n2i h GLY 108 CO 0.26 -0.11 -0.23 -1.33 0.00 0.00 0.00 176.54 175.14 3n2i h GLY 109 N -0.74 -0.66 0.97 4.60 0.00 -0.36 -2.22 103.07 104.66 3n2i h GLY 109 Ca -0.03 0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 3n2i h GLY 109 CO 0.05 -0.24 -0.22 -1.33 0.00 0.00 0.00 176.54 174.79 3n2i h GLY 110 N -1.09 -0.62 1.90 4.60 0.00 -0.24 -3.22 103.07 104.39 3n2i h GLY 110 Ca -0.06 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3n2i h GLY 110 CO 0.11 -0.23 -0.08 3.21 0.00 0.00 0.00 176.54 179.54 3n2i h ARG 111 N -0.60 0.00 -3.10 4.80 2.47 -1.19 -3.47 114.38 113.29 3n2i h ARG 111 Ca -0.05 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.41 3n2i h ARG 111 Cb 0.47 0.00 0.04 0.00 -1.65 0.00 0.00 29.97 28.84 3n2i h ARG 111 CO 0.08 0.00 -0.39 1.04 0.56 0.00 0.00 179.97 181.26 3n2i n GLN 112 N -2.48 -3.28 -2.32 0.04 6.02 -0.84 -4.98 117.38 109.55 3n2i n GLN 112 Ca 0.05 0.58 -0.41 0.00 -0.01 0.00 0.00 57.00 57.21 3n2i n GLN 112 Cb 0.46 -4.75 -0.03 0.00 1.02 0.00 0.00 30.24 26.94 3n2i n GLN 112 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3n2i s ILE 113 N -2.96 3.30 0.15 5.09 1.01 -1.11 -4.91 121.20 121.76 3n2i s ILE 113 Ca 0.21 1.18 -0.33 0.00 0.00 0.00 0.00 60.65 61.71 3n2i s ILE 113 Cb -0.09 -3.75 -0.17 0.00 0.01 0.00 0.00 42.46 38.46 3n2i s ILE 113 CO 0.26 0.23 0.98 0.00 0.00 0.00 0.00 174.94 176.40 3n2i n ALA 114 N 1.83 -1.84 0.20 9.38 0.00 -1.26 -4.74 120.51 124.08 3n2i n ALA 114 Ca 0.02 0.48 0.06 0.00 0.00 0.00 0.00 53.44 54.01 3n2i n ALA 114 Cb 0.44 -1.87 0.56 0.00 0.00 0.00 0.00 19.45 18.58 3n2i n ALA 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3n2i h PRO 115 N 2.62 0.11 -0.48 0.00 0.10 -1.95 -1.92 132.00 130.49 3n2i h PRO 115 Ca -0.41 -0.01 -0.07 0.00 0.10 0.00 0.00 66.00 65.61 3n2i h PRO 115 Cb 1.38 -0.02 -0.02 0.00 0.10 0.00 0.00 31.00 32.44 3n2i h PRO 115 CO 0.65 0.12 -0.00 0.66 0.10 0.00 0.00 178.00 179.53 3n2i h SER 116 N 0.11 0.76 -0.27 -2.05 4.64 -1.99 0.06 113.55 114.81 3n2i h SER 116 Ca 0.03 -0.18 -0.05 0.00 -0.47 0.00 0.00 61.79 61.12 3n2i h SER 116 Cb 0.07 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 3n2i h SER 116 CO -0.00 0.83 -0.02 0.74 -0.87 0.00 0.00 176.83 177.51 3n2i h THR 117 N 0.74 1.27 0.26 2.95 2.02 -1.78 -1.86 112.91 116.51 3n2i h THR 117 Ca 0.14 -0.97 0.01 0.00 0.77 0.00 0.00 66.41 66.36 3n2i h THR 117 Cb 0.45 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 3n2i h THR 117 CO 0.02 0.31 -0.40 0.24 0.37 0.00 0.00 175.52 176.06 3n2i h MET 118 N 0.26 -0.70 -0.61 6.66 2.86 -0.96 -2.12 114.93 120.32 3n2i h MET 118 Ca 0.07 0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.87 3n2i h MET 118 Cb 0.46 0.16 -0.08 0.00 0.06 0.00 0.00 31.60 32.20 3n2i h MET 118 CO 0.02 -0.47 0.18 0.37 1.06 0.00 0.00 176.91 178.07 3n2i h GLN 119 N -0.73 0.32 -0.01 1.72 4.15 -0.92 -0.34 115.11 119.30 3n2i h GLN 119 Ca -0.01 -0.02 -0.17 0.00 0.77 0.00 0.00 58.65 59.23 3n2i h GLN 119 Cb 0.69 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 3n2i h GLN 119 CO -0.14 0.21 -0.76 0.66 -1.93 0.00 0.00 178.83 176.86 3n2i h SER 120 N 0.33 0.12 -0.14 -0.69 4.64 -1.21 -1.40 113.55 115.19 3n2i h SER 120 Ca 0.32 -0.09 -0.21 0.00 -0.47 0.00 0.00 61.79 61.34 3n2i h SER 120 Cb 0.45 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3n2i h SER 120 CO -0.36 0.83 -0.73 0.25 -0.87 0.00 0.00 176.83 175.95 3n2i h LEU 121 N 0.06 0.88 -0.86 5.97 5.85 -1.12 0.18 115.31 126.27 3n2i h LEU 121 Ca -0.02 -0.64 0.03 0.00 0.84 0.00 0.00 57.88 58.10 3n2i h LEU 121 Cb 1.34 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 3n2i h LEU 121 CO 0.11 1.37 0.56 0.50 -0.34 0.00 0.00 178.44 180.64 3n2i h LYS 122 N 0.45 1.06 0.68 1.25 3.64 -1.02 -0.79 116.57 121.84 3n2i h LYS 122 Ca -0.05 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 3n2i h LYS 122 Cb 1.36 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3n2i h LYS 122 CO 0.15 0.70 -0.35 0.37 -2.27 0.00 0.00 179.45 178.05 3n2i h GLN 123 N 1.09 -0.91 -0.78 1.90 5.75 -0.87 0.54 115.11 121.82 3n2i h GLN 123 Ca 0.34 0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.97 3n2i h GLN 123 Cb -0.01 0.21 -0.06 0.00 1.07 0.00 0.00 27.48 28.69 3n2i h GLN 123 CO -0.11 -0.61 0.47 1.15 -2.65 0.00 0.00 178.83 177.08 3n2i h THR 124 N -0.95 1.00 0.24 2.39 2.02 -0.74 0.37 112.91 117.24 3n2i h THR 124 Ca -0.09 -0.29 -0.33 0.00 0.77 0.00 0.00 66.41 66.47 3n2i h THR 124 Cb 0.74 0.08 0.03 0.00 -1.74 0.00 0.00 68.15 67.26 3n2i h THR 124 CO 0.14 0.15 -1.46 0.00 0.37 0.00 0.00 175.52 174.72 3n2i h ALA 125 N 1.39 -0.12 0.00 6.16 0.00 -1.12 -3.40 119.26 122.17 3n2i h ALA 125 Ca 0.35 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3n2i h ALA 125 Cb 0.20 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3n2i h ALA 125 CO -0.18 0.70 -0.38 1.28 0.00 0.00 0.00 179.25 180.67 3n2i n LEU 126 N -3.74 0.26 0.00 0.00 4.77 0.17 -4.87 117.00 113.58 3n2i n LEU 126 Ca -0.18 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 3n2i n LEU 126 Cb 1.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 3n2i n LEU 126 CO 0.59 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3n2i n GLY 127 N 1.24 4.10 0.00 -0.72 0.00 0.13 -1.98 105.19 107.96 3n2i n GLY 127 Ca 0.01 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.26 3n2i n GLY 127 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3n2i n ASP 128 N 7.70 0.85 -4.63 1.61 8.00 -1.26 -4.56 116.55 124.26 3n2i n ASP 128 Ca 0.00 -0.78 -0.48 0.00 0.71 0.00 0.00 54.79 54.24 3n2i n ASP 128 Cb 0.00 0.79 -0.04 0.00 -0.02 0.00 0.00 41.12 41.85 3n2i n ASP 128 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3n2i n PHE 129 N -1.51 1.90 -3.71 1.24 7.35 -0.84 -5.00 117.46 116.91 3n2i n PHE 129 Ca 0.04 0.46 -0.12 0.00 -0.76 0.00 0.00 57.45 57.07 3n2i n PHE 129 Cb 0.33 -2.43 -0.07 0.00 0.35 0.00 0.00 39.48 37.66 3n2i n PHE 129 CO 0.00 0.00 0.00 -1.59 -0.76 0.00 0.00 176.76 174.41 3n2i s LYS 130 N 0.42 0.87 0.83 -4.13 -2.85 -1.26 -4.99 119.74 108.63 3n2i s LYS 130 Ca 0.78 -0.42 -0.11 0.00 -1.00 0.00 0.00 55.97 55.22 3n2i s LYS 130 Cb -0.78 0.38 0.10 0.00 -2.06 0.00 0.00 37.83 35.47 3n2i s LYS 130 CO 0.44 -0.29 1.13 -2.14 0.10 0.00 0.00 175.35 174.60 3n2i s PRO 131 N -2.50 1.63 -0.04 1.78 0.02 -1.26 -4.98 135.00 129.66 3n2i s PRO 131 Ca -0.05 1.45 0.12 0.00 0.02 0.00 0.00 61.00 62.53 3n2i s PRO 131 Cb -0.01 -1.81 -0.23 0.00 0.02 0.00 0.00 34.50 32.48 3n2i s PRO 131 CO -0.03 -2.16 0.69 -0.44 -0.33 0.00 0.00 177.00 174.74 3n2i h ASP 132 N -1.36 0.01 -3.15 2.53 3.32 -1.44 -3.47 116.42 112.86 3n2i h ASP 132 Ca -0.44 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 56.43 3n2i h ASP 132 Cb 1.26 -0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.52 3n2i h ASP 132 CO 0.46 1.03 -0.39 -0.22 -1.72 0.00 0.00 179.24 178.40 3n2i s LEU 133 N -6.15 -0.01 -0.06 1.55 2.96 -1.15 -4.88 118.68 110.95 3n2i s LEU 133 Ca -0.05 0.75 0.06 0.00 -0.22 0.00 0.00 54.13 54.67 3n2i s LEU 133 Cb 0.08 1.08 -0.01 0.00 0.50 0.00 0.00 46.19 47.83 3n2i s LEU 133 CO 0.82 -0.19 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.54 3n2i s THR 134 N 1.59 2.23 -0.32 3.68 2.01 -0.60 -0.45 115.64 123.79 3n2i s THR 134 Ca -0.08 -1.01 -0.04 0.00 0.31 0.00 0.00 61.69 60.88 3n2i s THR 134 Cb -0.10 -1.82 0.04 0.00 0.01 0.00 0.00 72.50 70.64 3n2i s THR 134 CO -0.11 0.57 0.05 -0.76 -0.69 0.00 0.00 174.62 173.68 3n2i s LEU 135 N -0.24 4.07 -0.41 4.42 1.43 0.76 -1.79 118.68 126.91 3n2i s LEU 135 Ca -0.01 -1.19 -0.19 0.00 -1.03 0.00 0.00 54.13 51.71 3n2i s LEU 135 Cb -0.13 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.32 3n2i s LEU 135 CO 0.03 -0.29 0.52 -0.47 0.23 0.00 0.00 176.35 176.38 3n2i s TYR 136 N 1.33 3.14 -0.64 0.29 5.04 -0.68 -1.11 117.35 124.71 3n2i s TYR 136 Ca -0.03 -0.14 -0.24 0.00 -2.44 0.00 0.00 57.07 54.22 3n2i s TYR 136 Cb -0.20 -3.05 0.05 0.00 0.35 0.00 0.00 41.96 39.12 3n2i s TYR 136 CO 0.01 -0.72 1.02 -0.51 -1.34 0.00 0.00 175.55 174.01 3n2i s LEU 137 N 2.42 4.08 -0.08 6.97 1.43 -0.80 -0.91 118.68 131.78 3n2i s LEU 137 Ca 0.17 -0.70 -0.22 0.00 -1.03 0.00 0.00 54.13 52.34 3n2i s LEU 137 Cb -0.16 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 3n2i s LEU 137 CO 0.15 -1.45 0.66 -0.62 0.23 0.00 0.00 176.35 175.32 3n2i s ASP 138 N 3.45 6.92 0.02 2.29 2.15 -0.25 -4.26 116.67 126.99 3n2i s ASP 138 Ca 0.27 1.10 -0.13 0.00 0.43 0.00 0.00 52.55 54.22 3n2i s ASP 138 Cb -0.14 -2.39 0.02 0.00 -0.30 0.00 0.00 42.92 40.11 3n2i s ASP 138 CO 0.14 -0.10 0.27 -0.51 -0.17 0.00 0.00 175.17 174.80 3n2i s ILE 139 N 0.82 0.08 0.23 4.11 2.07 -1.26 -1.57 121.20 125.68 3n2i s ILE 139 Ca 0.35 -0.67 -0.31 0.00 -1.41 0.00 0.00 60.65 58.61 3n2i s ILE 139 Cb -0.17 -0.81 -0.11 0.00 0.13 0.00 0.00 42.46 41.49 3n2i s ILE 139 CO 0.16 -0.37 1.65 -0.62 -1.91 0.00 0.00 174.94 173.86 3n2i s ASP 140 N -1.82 6.41 0.18 4.50 2.15 -1.26 -4.85 116.67 121.98 3n2i s ASP 140 Ca -0.08 2.86 -0.13 0.00 0.43 0.00 0.00 52.55 55.63 3n2i s ASP 140 Cb -0.03 -2.61 0.18 0.00 -0.30 0.00 0.00 42.92 40.16 3n2i s ASP 140 CO -0.01 -0.93 1.70 -0.65 -0.17 0.00 0.00 175.17 175.11 3n2i h PRO 141 N 6.11 0.17 -0.38 4.34 0.11 -1.98 0.33 132.00 140.70 3n2i h PRO 141 Ca -0.44 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 3n2i h PRO 141 Cb 1.21 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3n2i h PRO 141 CO 0.89 0.11 0.08 -0.22 -0.21 0.00 0.00 178.00 178.65 3n2i h LYS 142 N 0.18 0.61 -0.40 1.05 3.64 -1.97 -0.48 116.57 119.19 3n2i h LYS 142 Ca 0.24 -0.16 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 3n2i h LYS 142 Cb 0.34 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 3n2i h LYS 142 CO -0.36 0.66 0.12 1.25 -2.27 0.00 0.00 179.45 178.86 3n2i h LEU 143 N 0.47 0.11 -0.54 5.20 5.85 -1.82 -1.48 115.31 123.09 3n2i h LEU 143 Ca 0.12 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.91 3n2i h LEU 143 Cb 0.33 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3n2i h LEU 143 CO 0.00 0.10 0.33 1.23 -0.34 0.00 0.00 178.44 179.76 3n2i h GLY 144 N 0.27 0.76 1.81 3.75 0.00 -0.63 -1.51 103.07 107.52 3n2i h GLY 144 Ca 0.19 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 3n2i h GLY 144 CO -0.21 0.21 -0.23 1.41 0.00 0.00 0.00 176.54 177.73 3n2i h LEU 145 N 0.65 0.22 -0.09 3.11 3.38 -0.74 -2.29 115.31 119.55 3n2i h LEU 145 Ca 0.21 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3n2i h LEU 145 Cb 0.01 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3n2i h LEU 145 CO -0.09 0.46 -0.10 -0.62 0.09 0.00 0.00 178.44 178.18 3n2i n GLU 146 N -4.19 0.37 -0.00 1.13 1.02 -0.59 -2.95 120.64 115.44 3n2i n GLU 146 Ca -0.01 -0.09 0.11 0.00 -0.02 0.00 0.00 57.16 57.15 3n2i n GLU 146 Cb 0.34 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.12 3n2i n GLU 146 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3n2i n ARG 147 N -1.24 0.45 0.03 3.49 1.74 -0.61 -4.29 116.66 116.24 3n2i n ARG 147 Ca 0.12 -0.12 0.13 0.00 -0.77 0.00 0.00 57.85 57.20 3n2i n ARG 147 Cb 0.29 -1.53 0.39 0.00 -1.02 0.00 0.00 32.46 30.59 3n2i n ARG 147 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3n2i n ALA 148 N -2.02 2.75 -1.23 7.54 0.00 -0.90 -4.84 120.51 121.80 3n2i n ALA 148 Ca -0.01 -0.18 -0.37 0.00 0.00 0.00 0.00 53.44 52.88 3n2i n ALA 148 Cb 0.49 -1.32 0.06 0.00 0.00 0.00 0.00 19.45 18.68 3n2i n ALA 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3n2i n ARG 149 N -1.79 0.23 -1.41 0.00 1.74 -1.21 -4.98 116.66 109.25 3n2i n ARG 149 Ca 0.06 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 3n2i n ARG 149 Cb 0.38 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 3n2i n ARG 149 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3n2i n GLY 150 N 1.92 0.91 3.73 -0.13 0.00 -1.26 -5.11 105.19 105.24 3n2i n GLY 150 Ca 0.09 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 3n2i n GLY 150 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3n2i s GLU 153 N -2.94 4.42 0.00 1.61 2.56 -1.26 -5.27 118.70 117.81 3n2i s GLU 153 Ca 0.00 0.83 -0.30 0.00 0.00 0.00 0.00 54.97 55.50 3n2i s GLU 153 Cb 0.00 -3.42 -0.06 0.00 2.00 0.00 0.00 34.13 32.65 3n2i s GLU 153 CO 0.00 0.14 1.56 -0.51 -0.56 0.00 0.00 175.26 175.89 3n2i s LEU 154 N 0.54 4.33 1.02 2.70 1.43 -1.26 -5.02 118.68 122.43 3n2i s LEU 154 Ca 0.35 2.27 -0.17 0.00 -1.03 0.00 0.00 54.13 55.55 3n2i s LEU 154 Cb -0.18 -3.55 0.23 0.00 0.03 0.00 0.00 46.19 42.72 3n2i s LEU 154 CO 0.18 -0.84 1.29 1.51 0.23 0.00 0.00 176.35 178.72 3n2i s ASP 155 N 2.49 2.55 0.29 2.29 1.47 -1.26 -4.74 116.67 119.76 3n2i s ASP 155 Ca 0.70 0.28 0.03 0.00 1.18 0.00 0.00 52.55 54.75 3n2i s ASP 155 Cb -0.35 -0.32 0.66 0.00 -0.34 0.00 0.00 42.92 42.57 3n2i s ASP 155 CO 0.29 -3.09 1.78 -0.09 0.68 0.00 0.00 175.17 174.75 3n2i h ARG 156 N -1.88 0.76 -0.17 2.11 2.43 -1.38 -1.26 114.38 114.98 3n2i h ARG 156 Ca -0.44 -0.05 -0.22 0.00 -0.81 0.00 0.00 59.98 58.47 3n2i h ARG 156 Cb 1.24 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 30.62 3n2i h ARG 156 CO 0.35 0.50 -0.74 0.82 -1.51 0.00 0.00 179.97 179.39 3n2i h ILE 157 N 0.78 1.28 0.00 1.20 2.04 -1.84 -3.19 117.51 117.77 3n2i h ILE 157 Ca 0.54 -1.93 0.00 0.00 1.00 0.00 0.00 64.86 64.47 3n2i h ILE 157 Cb 0.76 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 3n2i h ILE 157 CO -0.36 0.61 0.00 -0.62 0.00 0.00 0.00 178.15 177.79 3n2i n GLU 158 N -3.96 0.19 0.00 2.37 1.02 -0.53 -1.69 120.64 118.05 3n2i n GLU 158 Ca -0.07 0.16 0.13 0.00 -0.02 0.00 0.00 57.16 57.35 3n2i n GLU 158 Cb 0.73 -1.50 0.28 0.00 -0.02 0.00 0.00 31.44 30.92 3n2i n GLU 158 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3n2i n LYS 159 N -1.28 1.09 -1.44 3.49 5.02 -0.89 -4.81 118.16 119.35 3n2i n LYS 159 Ca 0.06 -0.74 -0.33 0.00 -2.02 0.00 0.00 58.31 55.28 3n2i n LYS 159 Cb 0.10 -1.48 0.09 0.00 -0.02 0.00 0.00 35.03 33.72 3n2i n LYS 159 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3n2i s MET 160 N -2.42 2.24 0.90 1.97 -1.94 -0.68 -5.01 119.30 114.36 3n2i s MET 160 Ca 0.24 1.57 -0.11 0.00 -1.71 0.00 0.00 55.69 55.68 3n2i s MET 160 Cb 0.19 -1.87 0.13 0.00 2.01 0.00 0.00 34.83 35.30 3n2i s MET 160 CO 0.50 -1.72 1.09 0.16 -0.01 0.00 0.00 175.02 175.05 3n2i s ASP 161 N -2.40 3.39 0.21 3.03 -4.77 -1.26 -4.93 116.67 109.94 3n2i s ASP 161 Ca 0.70 1.57 -0.09 0.00 -3.30 0.00 0.00 52.55 51.43 3n2i s ASP 161 Cb -0.25 -2.24 0.26 0.00 -1.09 0.00 0.00 42.92 39.61 3n2i s ASP 161 CO 0.46 -2.70 1.78 -0.29 0.70 0.00 0.00 175.17 175.12 3n2i h ILE 162 N -1.59 0.88 -0.69 2.11 6.09 -1.99 -2.17 117.51 120.15 3n2i h ILE 162 Ca -0.49 -0.19 0.20 0.00 -1.37 0.00 0.00 64.86 63.00 3n2i h ILE 162 Cb 1.28 0.27 -0.03 0.00 0.47 0.00 0.00 36.82 38.81 3n2i h ILE 162 CO 0.53 0.10 0.51 0.77 -3.07 0.00 0.00 178.15 176.99 3n2i h SER 163 N 0.57 0.00 -0.79 2.19 4.64 -1.99 0.98 113.55 119.14 3n2i h SER 163 Ca 0.30 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3n2i h SER 163 Cb 0.28 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.33 3n2i h SER 163 CO -0.23 0.00 0.49 0.15 -0.87 0.00 0.00 176.83 176.37 3n2i h PHE 164 N 0.00 1.04 0.00 4.77 3.57 -1.73 -1.34 116.94 123.25 3n2i h PHE 164 Ca 0.33 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.63 3n2i h PHE 164 Cb 1.33 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 3n2i h PHE 164 CO 0.00 0.69 -0.87 0.74 -2.23 0.00 0.00 178.31 176.64 3n2i h PHE 165 N 1.09 0.27 -0.25 0.41 0.04 -0.94 -2.27 116.94 115.29 3n2i h PHE 165 Ca 0.29 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 3n2i h PHE 165 Cb -0.06 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 3n2i h PHE 165 CO -0.01 0.96 0.11 0.93 -0.60 0.00 0.00 178.31 179.71 3n2i h GLU 166 N 0.10 0.36 -0.43 1.51 5.08 -0.98 0.31 114.58 120.53 3n2i h GLU 166 Ca -0.04 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 3n2i h GLU 166 Cb 1.50 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 3n2i h GLU 166 CO 0.13 0.38 0.03 0.00 -1.00 0.00 0.00 179.01 178.54 3n2i h ARG 167 N 0.27 0.68 -0.23 2.33 3.08 -1.27 -0.09 114.38 119.15 3n2i h ARG 167 Ca 0.08 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 3n2i h ARG 167 Cb 0.14 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3n2i h ARG 167 CO -0.01 0.68 0.13 0.00 -1.07 0.00 0.00 179.97 179.70 3n2i h ALA 168 N 1.38 0.29 0.02 0.04 0.00 -0.80 -2.09 119.26 118.10 3n2i h ALA 168 Ca 0.14 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3n2i h ALA 168 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3n2i h ALA 168 CO 0.01 -0.18 -0.07 -0.09 0.00 0.00 0.00 179.25 178.92 3n2i h ARG 169 N 0.26 -0.13 -0.58 0.00 2.43 0.13 0.08 114.38 116.57 3n2i h ARG 169 Ca 0.08 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.36 3n2i h ARG 169 Cb 0.06 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.56 3n2i h ARG 169 CO -0.01 -0.09 0.14 1.49 -1.51 0.00 0.00 179.97 179.99 3n2i h GLU 170 N -0.13 0.27 -0.38 0.20 4.81 -0.90 0.19 114.58 118.64 3n2i h GLU 170 Ca 0.02 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 3n2i h GLU 170 Cb 0.16 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3n2i h GLU 170 CO -0.06 0.18 -0.07 -0.09 -0.73 0.00 0.00 179.01 178.24 3n2i h ARG 171 N 0.28 0.72 -0.68 1.92 9.65 -1.22 0.22 114.38 125.27 3n2i h ARG 171 Ca 0.30 -0.27 0.12 0.00 -1.10 0.00 0.00 59.98 59.03 3n2i h ARG 171 Cb 0.42 -0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 28.87 3n2i h ARG 171 CO -0.36 0.86 0.26 1.88 2.80 0.00 0.00 179.97 185.40 3n2i h TYR 172 N 0.53 0.44 -0.67 2.20 0.99 0.28 -1.49 116.97 119.24 3n2i h TYR 172 Ca 0.10 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.78 3n2i h TYR 172 Cb 0.58 -0.09 -0.03 0.00 1.00 0.00 0.00 36.73 38.19 3n2i h TYR 172 CO 0.05 0.07 0.11 -0.07 -0.00 0.00 0.00 178.16 178.32 3n2i h LEU 173 N 0.42 1.06 -0.98 3.88 3.38 -0.03 -1.37 115.31 121.67 3n2i h LEU 173 Ca 0.36 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3n2i h LEU 173 Cb 0.51 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3n2i h LEU 173 CO -0.36 1.05 0.34 -0.33 0.09 0.00 0.00 178.44 179.22 3n2i h GLU 174 N 1.04 1.07 -0.08 1.13 5.08 -0.27 -2.43 114.58 120.12 3n2i h GLU 174 Ca 0.20 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 3n2i h GLU 174 Cb 0.44 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3n2i h GLU 174 CO 0.01 0.83 -0.37 -0.07 -1.00 0.00 0.00 179.01 178.42 3n2i h LEU 175 N 1.05 0.46 -1.04 1.33 3.38 -1.14 -2.96 115.31 116.40 3n2i h LEU 175 Ca 0.25 -0.65 0.07 0.00 0.09 0.00 0.00 57.88 57.65 3n2i h LEU 175 Cb 0.14 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 3n2i h LEU 175 CO -0.03 1.03 0.64 0.00 0.09 0.00 0.00 178.44 180.17 3n2i h ALA 176 N 0.44 1.44 -0.00 1.53 0.00 -1.14 -1.90 119.26 119.63 3n2i h ALA 176 Ca -0.02 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 3n2i h ALA 176 Cb 1.02 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3n2i h ALA 176 CO 0.08 0.39 -0.91 -0.97 0.00 0.00 0.00 179.25 177.84 3n2i h ASN 177 N 1.12 0.47 0.51 0.00 -1.24 -1.53 -3.31 115.58 111.60 3n2i h ASN 177 Ca 0.43 -0.37 0.00 0.00 0.71 0.00 0.00 56.30 57.07 3n2i h ASN 177 Cb 0.22 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.13 3n2i h ASN 177 CO -0.18 1.17 -0.27 -1.54 -1.29 0.00 0.00 177.43 175.31 3n2i n SER 178 N -3.73 0.50 -4.12 1.15 3.41 -1.06 -4.78 113.62 104.99 3n2i n SER 178 Ca -0.06 -0.31 -0.33 0.00 -0.26 0.00 0.00 58.87 57.92 3n2i n SER 178 Cb 0.82 0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 64.63 3n2i n SER 178 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3n2i s ASP 179 N -2.79 3.65 0.60 4.04 -1.08 -0.74 -5.00 116.67 115.36 3n2i s ASP 179 Ca 0.18 -0.89 0.38 0.00 -0.52 0.00 0.00 52.55 51.70 3n2i s ASP 179 Cb 0.19 -1.52 1.80 0.00 -1.46 0.00 0.00 42.92 41.92 3n2i s ASP 179 CO 0.58 -0.07 2.14 0.44 0.52 0.00 0.00 175.17 178.79 3n2i h ASP 180 N 7.90 0.00 -0.06 -0.34 3.32 -1.86 -1.58 116.42 123.80 3n2i h ASP 180 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3n2i h ASP 180 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 3n2i h ASP 180 CO 0.58 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.56 3n2i n SER 181 N -3.10 0.69 -4.30 6.45 3.41 -1.26 -4.73 113.62 110.78 3n2i n SER 181 Ca -0.01 -1.50 -0.33 0.00 -0.26 0.00 0.00 58.87 56.77 3n2i n SER 181 Cb 0.21 -0.04 -0.15 0.00 -0.26 0.00 0.00 64.21 63.97 3n2i n SER 181 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3n2i s VAL 182 N -1.92 2.83 -0.05 -3.33 1.01 -0.59 -1.55 120.40 116.79 3n2i s VAL 182 Ca 0.31 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.64 3n2i s VAL 182 Cb 0.15 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 3n2i s VAL 182 CO 0.25 0.51 -0.24 -0.69 0.00 0.00 0.00 175.10 174.93 3n2i s VAL 183 N 0.73 2.19 -0.11 2.92 1.01 -0.74 -4.86 120.40 121.54 3n2i s VAL 183 Ca -0.06 -1.03 -0.09 0.00 0.00 0.00 0.00 61.98 60.80 3n2i s VAL 183 Cb -0.15 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3n2i s VAL 183 CO 0.01 0.57 0.19 -0.32 0.00 0.00 0.00 175.10 175.55 3n2i s MET 184 N -0.31 3.62 -0.08 2.72 0.00 -1.26 -1.68 119.30 122.30 3n2i s MET 184 Ca 0.01 -0.05 0.04 0.00 0.00 0.00 0.00 55.69 55.69 3n2i s MET 184 Cb -0.13 -3.23 -0.01 0.00 0.00 0.00 0.00 34.83 31.47 3n2i s MET 184 CO 0.02 0.70 -0.23 0.42 0.00 0.00 0.00 175.02 175.94 3n2i s ILE 185 N -0.85 2.23 -0.45 10.11 -1.09 -0.09 -4.96 121.20 126.11 3n2i s ILE 185 Ca 0.16 -0.98 -0.29 0.00 -2.23 0.00 0.00 60.65 57.31 3n2i s ILE 185 Cb -0.13 -1.85 0.03 0.00 -1.58 0.00 0.00 42.46 38.93 3n2i s ILE 185 CO 0.05 0.56 1.16 -0.62 -1.23 0.00 0.00 174.94 174.86 3n2i s ASP 186 N 0.09 6.64 0.00 3.58 3.68 -1.26 -1.09 116.67 128.32 3n2i s ASP 186 Ca -0.10 0.60 0.26 0.00 2.13 0.00 0.00 52.55 55.43 3n2i s ASP 186 Cb -0.16 -2.55 0.67 0.00 -1.45 0.00 0.00 42.92 39.43 3n2i s ASP 186 CO 0.06 -1.22 1.53 0.00 0.13 0.00 0.00 175.17 175.67 3n2i n ALA 187 N 7.82 3.26 0.93 3.66 0.00 -0.61 -4.03 120.51 131.55 3n2i n ALA 187 Ca 0.13 -0.29 0.01 0.00 0.00 0.00 0.00 53.44 53.29 3n2i n ALA 187 Cb 0.49 -1.20 0.06 0.00 0.00 0.00 0.00 19.45 18.79 3n2i n ALA 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n2i n ALA 188 N -1.50 2.66 -2.70 0.00 0.00 -1.26 -4.83 120.51 112.88 3n2i n ALA 188 Ca 0.06 -0.27 -0.21 0.00 0.00 0.00 0.00 53.44 53.02 3n2i n ALA 188 Cb 0.34 -1.01 0.09 0.00 0.00 0.00 0.00 19.45 18.87 3n2i n ALA 188 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3n2i n GLN 189 N 0.03 0.14 -1.85 0.00 6.02 -1.26 -5.10 117.38 115.38 3n2i n GLN 189 Ca 0.04 -2.54 -0.31 0.00 -0.01 0.00 0.00 57.00 54.18 3n2i n GLN 189 Cb 0.33 -0.49 0.02 0.00 1.02 0.00 0.00 30.24 31.11 3n2i n GLN 189 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3n2i s SER 190 N -4.53 5.95 0.30 1.08 1.04 -1.26 -4.79 113.70 111.50 3n2i s SER 190 Ca 0.58 1.54 0.06 0.00 0.48 0.00 0.00 55.95 58.61 3n2i s SER 190 Cb -0.04 -2.49 0.79 0.00 0.10 0.00 0.00 66.02 64.39 3n2i s SER 190 CO 0.38 -1.05 1.72 0.40 0.98 0.00 0.00 173.24 175.67 3n2i h ILE 191 N -0.24 0.54 -0.40 -1.02 1.08 -1.99 0.25 117.51 115.74 3n2i h ILE 191 Ca -0.44 -0.18 -0.05 0.00 -0.39 0.00 0.00 64.86 63.79 3n2i h ILE 191 Cb 1.20 -0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.89 3n2i h ILE 191 CO 0.60 0.10 0.03 -0.33 -0.69 0.00 0.00 178.15 177.86 3n2i h GLU 192 N 0.53 0.62 0.13 2.37 3.07 -1.99 -2.43 114.58 116.88 3n2i h GLU 192 Ca 0.60 -0.13 -0.30 0.00 -0.50 0.00 0.00 59.36 59.02 3n2i h GLU 192 Cb 1.10 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.91 3n2i h GLU 192 CO -0.48 0.62 -1.49 1.96 -1.40 0.00 0.00 179.01 178.22 3n2i h GLN 193 N 0.59 0.27 -0.42 2.33 4.20 -1.39 -1.82 115.11 118.87 3n2i h GLN 193 Ca 0.13 -0.46 -0.05 0.00 0.06 0.00 0.00 58.65 58.33 3n2i h GLN 193 Cb 0.33 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 3n2i h GLN 193 CO 0.01 1.15 0.07 0.28 -0.67 0.00 0.00 178.83 179.67 3n2i h VAL 194 N 0.07 1.24 -0.87 -0.54 2.07 -1.16 -1.93 116.25 115.14 3n2i h VAL 194 Ca -0.23 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 66.48 3n2i h VAL 194 Cb 2.02 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 32.73 3n2i h VAL 194 CO 0.17 0.30 0.54 0.74 0.02 0.00 0.00 177.57 179.35 3n2i h THR 195 N 0.54 1.06 -0.35 2.57 2.02 -1.51 -0.97 112.91 116.28 3n2i h THR 195 Ca 0.13 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.86 3n2i h THR 195 Cb 0.37 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 3n2i h THR 195 CO 0.01 0.18 -0.19 0.00 0.37 0.00 0.00 175.52 175.89 3n2i h ALA 196 N 1.40 0.49 -0.14 6.16 0.00 -1.06 -1.49 119.26 124.62 3n2i h ALA 196 Ca 0.37 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3n2i h ALA 196 Cb 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3n2i h ALA 196 CO -0.16 0.44 -0.39 -0.44 0.00 0.00 0.00 179.25 178.70 3n2i h ASP 197 N 0.53 0.32 -0.03 0.00 3.45 -1.01 0.66 116.42 120.33 3n2i h ASP 197 Ca 0.07 -0.13 -0.04 0.00 0.43 0.00 0.00 57.03 57.36 3n2i h ASP 197 Cb 0.74 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.42 3n2i h ASP 197 CO 0.06 0.68 -0.14 0.40 -1.57 0.00 0.00 179.24 178.66 3n2i h ILE 198 N 0.26 1.48 -0.32 0.35 2.04 -1.07 -1.03 117.51 119.22 3n2i h ILE 198 Ca 0.03 -1.63 -0.03 0.00 1.00 0.00 0.00 64.86 64.23 3n2i h ILE 198 Cb 0.80 2.47 -0.02 0.00 -0.74 0.00 0.00 36.82 39.33 3n2i h ILE 198 CO 0.06 0.44 0.06 -0.09 0.00 0.00 0.00 178.15 178.62 3n2i h ARG 199 N -0.43 0.46 0.21 2.37 2.43 -1.24 -0.81 114.38 117.37 3n2i h ARG 199 Ca -0.01 -0.08 -0.31 0.00 -0.81 0.00 0.00 59.98 58.78 3n2i h ARG 199 Cb 0.80 -0.08 0.04 0.00 -0.42 0.00 0.00 29.97 30.30 3n2i h ARG 199 CO 0.03 0.45 -1.34 -0.09 -1.51 0.00 0.00 179.97 177.50 3n2i h ARG 200 N 0.46 0.53 0.00 0.20 2.43 -0.89 -2.49 114.38 114.62 3n2i h ARG 200 Ca 0.11 -0.86 -0.08 0.00 -0.81 0.00 0.00 59.98 58.34 3n2i h ARG 200 Cb 0.21 0.31 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3n2i h ARG 200 CO -0.00 1.41 -0.38 0.00 -1.51 0.00 0.00 179.97 179.49 3n2i h ALA 201 N 0.17 1.15 0.14 2.80 0.00 -0.73 -2.27 119.26 120.52 3n2i h ALA 201 Ca -0.23 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.12 3n2i h ALA 201 Cb 2.05 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.79 3n2i h ALA 201 CO 0.25 0.48 -1.01 1.25 0.00 0.00 0.00 179.25 180.22 3n2i h LEU 202 N 0.00 0.47 -0.24 0.00 5.85 -1.25 -1.61 115.31 118.53 3n2i h LEU 202 Ca -0.00 -0.93 0.01 0.00 0.84 0.00 0.00 57.88 57.81 3n2i h LEU 202 Cb 0.78 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3n2i h LEU 202 CO 0.05 1.47 0.12 -0.61 -0.34 0.00 0.00 178.44 179.13 3n2i h GLN 203 N -0.33 0.25 -0.33 1.25 5.75 -1.44 0.14 115.11 120.40 3n2i h GLN 203 Ca -0.19 -0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.36 3n2i h GLN 203 Cb 1.71 -0.06 -0.08 0.00 1.07 0.00 0.00 27.48 30.12 3n2i h GLN 203 CO 0.14 0.16 -0.40 0.22 -2.65 0.00 0.00 178.83 176.30 3n2i h ASP 204 N 0.26 -1.32 -0.85 -0.69 1.82 -1.51 -2.01 116.42 112.11 3n2i h ASP 204 Ca 0.10 0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.94 3n2i h ASP 204 Cb 0.02 0.57 -0.04 0.00 0.68 0.00 0.00 39.33 40.57 3n2i h ASP 204 CO -0.07 -0.37 0.55 -0.25 -1.61 0.00 0.00 179.24 177.49 3n2i h TRP 205 N -0.35 1.09 0.02 0.28 7.01 -0.32 -2.68 115.95 121.00 3n2i h TRP 205 Ca 0.13 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.15 3n2i h TRP 205 Cb 0.58 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 3n2i h TRP 205 CO -0.57 0.70 -0.07 -0.07 -2.79 0.00 0.00 178.44 175.65 3n2i h LEU 206 N 1.16 -0.18 -2.60 0.65 3.38 -0.43 -2.73 115.31 114.55 3n2i h LEU 206 Ca 0.31 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3n2i h LEU 206 Cb -0.11 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3n2i h LEU 206 CO -0.06 -0.10 0.03 0.28 0.09 0.00 0.00 178.44 178.67 3n2i h SER 207 N -0.13 0.00 0.00 -0.43 0.02 -1.04 -3.51 113.55 108.46 3n2i h SER 207 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3n2i h SER 207 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3n2i h SER 207 CO -0.05 0.00 0.00 1.67 -1.14 0.00 0.00 176.83 177.31