#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ii2 s VAL 6 N 0.00 0.53 -0.05 -3.33 -7.23 -1.26 -4.51 120.40 104.55 3ii2 s VAL 6 Ca 0.00 -1.61 0.06 0.00 -1.81 0.00 0.00 61.98 58.62 3ii2 s VAL 6 Cb 0.00 -1.27 -0.01 0.00 0.56 0.00 0.00 36.38 35.66 3ii2 s VAL 6 CO 0.00 -0.74 -0.24 -0.69 -0.31 0.00 0.00 175.10 173.12 3ii2 s VAL 7 N -2.93 1.93 0.30 1.32 1.01 0.26 -4.84 120.40 117.44 3ii2 s VAL 7 Ca 0.03 -1.01 -0.27 0.00 0.00 0.00 0.00 61.98 60.73 3ii2 s VAL 7 Cb 0.01 -1.63 -0.09 0.00 0.00 0.00 0.00 36.38 34.67 3ii2 s VAL 7 CO -0.04 0.54 0.97 -1.61 0.00 0.00 0.00 175.10 174.96 3ii2 s GLU 8 N -0.24 4.63 -0.22 2.72 2.02 -1.26 0.55 118.70 126.90 3ii2 s GLU 8 Ca -0.00 1.44 -0.18 0.00 0.02 0.00 0.00 54.97 56.25 3ii2 s GLU 8 Cb -0.12 -2.95 0.06 0.00 0.10 0.00 0.00 34.13 31.21 3ii2 s GLU 8 CO 0.02 0.30 0.56 -0.47 0.02 0.00 0.00 175.26 175.69 3ii2 s TYR 9 N -1.45 -0.68 0.01 1.61 5.04 -0.01 -4.93 117.35 116.95 3ii2 s TYR 9 Ca 0.48 1.57 0.08 0.00 -2.44 0.00 0.00 57.07 56.75 3ii2 s TYR 9 Cb -0.22 0.27 -0.02 0.00 0.35 0.00 0.00 41.96 42.34 3ii2 s TYR 9 CO 0.28 -0.33 -0.24 -2.00 -1.34 0.00 0.00 175.55 171.92 3ii2 s GLU 10 N 0.62 1.78 0.27 4.97 2.12 -1.26 -0.09 118.70 127.10 3ii2 s GLU 10 Ca -0.03 -0.93 0.02 0.00 0.36 0.00 0.00 54.97 54.40 3ii2 s GLU 10 Cb -0.05 -1.81 -0.05 0.00 0.26 0.00 0.00 34.13 32.48 3ii2 s GLU 10 CO -0.04 0.48 0.08 0.14 -0.54 0.00 0.00 175.26 175.39 3ii2 s VAL 11 N -0.66 0.72 0.01 3.70 -7.23 -0.54 -4.99 120.40 111.42 3ii2 s VAL 11 Ca 0.09 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.10 3ii2 s VAL 11 Cb -0.09 -2.64 -0.06 0.00 0.56 0.00 0.00 36.38 34.15 3ii2 s VAL 11 CO 0.00 -0.03 0.45 -0.69 -0.31 0.00 0.00 175.10 174.52 3ii2 s VAL 12 N -3.63 4.97 -0.23 1.32 1.01 -1.26 -1.26 120.40 121.32 3ii2 s VAL 12 Ca 0.37 0.93 -0.03 0.00 0.00 0.00 0.00 61.98 63.24 3ii2 s VAL 12 Cb 0.08 -3.76 0.11 0.00 0.00 0.00 0.00 36.38 32.82 3ii2 s VAL 12 CO 0.13 0.56 0.29 -0.55 0.00 0.00 0.00 175.10 175.54 3ii2 s SER 13 N -1.02 0.93 -0.10 3.32 0.15 -0.40 -1.95 113.70 114.63 3ii2 s SER 13 Ca 0.25 -0.09 -0.30 0.00 0.70 0.00 0.00 55.95 56.52 3ii2 s SER 13 Cb -0.17 0.70 0.07 0.00 -1.71 0.00 0.00 66.02 64.91 3ii2 s SER 13 CO 0.15 -0.32 0.70 -1.59 1.20 0.00 0.00 173.24 173.38 3ii2 s LYS 14 N 2.42 0.99 -0.24 5.44 -2.85 -0.03 -3.53 119.74 121.94 3ii2 s LYS 14 Ca 0.09 0.41 -0.03 0.00 -1.00 0.00 0.00 55.97 55.45 3ii2 s LYS 14 Cb -0.15 0.47 0.08 0.00 -2.06 0.00 0.00 37.83 36.16 3ii2 s LYS 14 CO -0.16 -0.28 0.07 1.21 0.10 0.00 0.00 175.35 176.30 3ii2 s ASN 15 N -0.85 3.29 0.53 0.03 3.84 -1.26 -1.26 114.94 119.26 3ii2 s ASN 15 Ca -0.08 -1.11 0.04 0.00 0.21 0.00 0.00 52.86 51.92 3ii2 s ASN 15 Cb -0.01 -0.61 0.02 0.00 -0.55 0.00 0.00 41.25 40.10 3ii2 s ASN 15 CO 0.08 -0.36 0.27 -0.76 -2.79 0.00 0.00 177.10 173.53 3ii2 s LEU 16 N 1.84 2.58 0.22 3.21 1.43 0.57 -0.96 118.68 127.59 3ii2 s LEU 16 Ca 0.04 -1.37 -0.07 0.00 -1.03 0.00 0.00 54.13 51.69 3ii2 s LEU 16 Cb -0.17 -1.05 0.32 0.00 0.03 0.00 0.00 46.19 45.32 3ii2 s LEU 16 CO -0.17 -1.00 1.78 0.74 0.23 0.00 0.00 176.35 177.92 3ii2 h THR 17 N 0.97 0.86 0.00 5.49 2.02 -2.02 -3.17 112.91 117.05 3ii2 h THR 17 Ca -0.39 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.58 3ii2 h THR 17 Cb 1.31 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3ii2 h THR 17 CO 0.63 0.11 -1.00 -1.54 0.37 0.00 0.00 175.52 174.09 3ii2 n SER 18 N -4.86 1.09 -3.76 4.18 3.41 -1.26 -4.90 113.62 107.52 3ii2 n SER 18 Ca 0.11 -0.51 -0.11 0.00 -0.26 0.00 0.00 58.87 58.09 3ii2 n SER 18 Cb 0.26 1.23 -0.07 0.00 -0.26 0.00 0.00 64.21 65.37 3ii2 n SER 18 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3ii2 s LYS 19 N -2.52 0.81 -0.01 4.33 -2.85 -1.20 -1.13 119.74 117.17 3ii2 s LYS 19 Ca 0.01 -0.52 0.02 0.00 -1.00 0.00 0.00 55.97 54.48 3ii2 s LYS 19 Cb 0.10 0.35 0.00 0.00 -2.06 0.00 0.00 37.83 36.22 3ii2 s LYS 19 CO 0.56 -0.26 -0.07 1.41 0.10 0.00 0.00 175.35 177.09 3ii2 s MET 20 N -2.59 0.67 -0.16 1.78 1.75 -0.35 -0.31 119.30 120.08 3ii2 s MET 20 Ca -0.05 -0.23 0.00 0.00 -1.25 0.00 0.00 55.69 54.17 3ii2 s MET 20 Cb -0.01 -0.65 0.03 0.00 2.84 0.00 0.00 34.83 37.04 3ii2 s MET 20 CO -0.04 0.11 -0.14 -1.12 -0.65 0.00 0.00 175.02 173.18 3ii2 s SER 21 N 0.08 2.83 -0.25 1.11 0.01 -0.39 -0.51 113.70 116.58 3ii2 s SER 21 Ca -0.01 -0.57 0.01 0.00 1.31 0.00 0.00 55.95 56.69 3ii2 s SER 21 Cb -0.06 -1.20 0.07 0.00 0.21 0.00 0.00 66.02 65.05 3ii2 s SER 21 CO -0.00 -0.07 -0.02 -2.28 0.41 0.00 0.00 173.24 171.28 3ii2 s HIS 22 N 1.47 2.43 -0.02 2.43 2.46 0.40 -0.85 115.29 123.60 3ii2 s HIS 22 Ca 0.04 -1.87 0.07 0.00 0.47 0.00 0.00 55.06 53.77 3ii2 s HIS 22 Cb -0.13 -1.74 -0.02 0.00 -0.13 0.00 0.00 32.58 30.56 3ii2 s HIS 22 CO -0.10 -0.80 -0.24 -1.21 -2.47 0.00 0.00 174.74 169.92 3ii2 s GLU 23 N 1.38 1.97 0.01 2.88 2.02 -0.82 0.01 118.70 126.16 3ii2 s GLU 23 Ca -0.02 -0.85 -0.02 0.00 0.02 0.00 0.00 54.97 54.11 3ii2 s GLU 23 Cb -0.19 -1.88 -0.01 0.00 0.10 0.00 0.00 34.13 32.15 3ii2 s GLU 23 CO -0.09 0.50 0.02 -0.51 0.02 0.00 0.00 175.26 175.20 3ii2 s LEU 24 N -0.51 2.02 0.03 1.80 1.43 -0.43 -4.74 118.68 118.28 3ii2 s LEU 24 Ca 0.08 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 52.75 3ii2 s LEU 24 Cb -0.10 0.21 -0.06 0.00 0.03 0.00 0.00 46.19 46.27 3ii2 s LEU 24 CO -0.00 -0.24 0.40 -0.76 0.23 0.00 0.00 176.35 175.98 3ii2 s LEU 25 N -1.07 4.42 -0.08 1.79 1.43 -1.26 -0.88 118.68 123.03 3ii2 s LEU 25 Ca -0.12 0.89 0.03 0.00 -1.03 0.00 0.00 54.13 53.91 3ii2 s LEU 25 Cb -0.07 -2.75 0.01 0.00 0.03 0.00 0.00 46.19 43.41 3ii2 s LEU 25 CO -0.00 0.26 -0.18 0.12 0.23 0.00 0.00 176.35 176.78 3ii2 s PHE 26 N -1.21 1.96 -0.19 0.29 5.36 0.90 -1.11 117.98 123.98 3ii2 s PHE 26 Ca 0.28 -0.77 -0.29 0.00 -0.96 0.00 0.00 56.93 55.18 3ii2 s PHE 26 Cb -0.15 -1.36 0.00 0.00 -0.34 0.00 0.00 43.02 41.17 3ii2 s PHE 26 CO 0.15 -0.34 1.06 0.45 -1.46 0.00 0.00 175.22 175.08 3ii2 s SER 27 N 0.53 7.11 0.14 6.13 0.15 0.07 -0.71 113.70 127.12 3ii2 s SER 27 Ca -0.16 1.46 -0.17 0.00 0.70 0.00 0.00 55.95 57.78 3ii2 s SER 27 Cb -0.17 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 61.60 3ii2 s SER 27 CO 0.06 -0.63 1.77 0.58 1.20 0.00 0.00 173.24 176.21 3ii2 h VAL 28 N 5.37 1.13 -0.21 4.45 2.07 -1.83 0.14 116.25 127.38 3ii2 h VAL 28 Ca -0.23 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 3ii2 h VAL 28 Cb 1.09 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3ii2 h VAL 28 CO 0.95 0.13 0.06 0.50 0.02 0.00 0.00 177.57 179.23 3ii2 h LYS 29 N 0.49 0.32 0.00 1.57 3.64 -1.92 -3.18 116.57 117.49 3ii2 h LYS 29 Ca 0.13 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3ii2 h LYS 29 Cb 0.02 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3ii2 h LYS 29 CO -0.02 0.43 -0.50 1.63 -2.27 0.00 0.00 179.45 178.71 3ii2 n LYS 30 N -4.78 0.23 -3.68 1.90 5.02 -1.20 -4.96 118.16 110.70 3ii2 n LYS 30 Ca -0.04 0.08 -0.25 0.00 -2.02 0.00 0.00 58.31 56.08 3ii2 n LYS 30 Cb 0.16 -1.66 0.07 0.00 -0.02 0.00 0.00 35.03 33.57 3ii2 n LYS 30 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ii2 n ARG 31 N -2.01 -7.31 -3.86 1.97 1.74 0.49 -4.44 116.66 103.25 3ii2 n ARG 31 Ca 0.04 0.77 -0.08 0.00 -0.77 0.00 0.00 57.85 57.81 3ii2 n ARG 31 Cb 0.42 -5.78 -0.00 0.00 -1.02 0.00 0.00 32.46 26.07 3ii2 n ARG 31 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3ii2 s TRP 32 N -3.32 0.04 0.35 -1.55 -0.00 -1.22 -1.55 118.94 111.69 3ii2 s TRP 32 Ca 0.58 -0.57 -0.28 0.00 -0.00 0.00 0.00 56.10 55.83 3ii2 s TRP 32 Cb -0.27 0.69 -0.10 0.00 -0.00 0.00 0.00 33.47 33.80 3ii2 s TRP 32 CO 0.76 -1.36 1.31 -0.06 -0.00 0.00 0.00 176.95 177.60 3ii2 s PHE 33 N -3.20 2.97 0.28 5.86 0.08 -1.26 -0.75 117.98 121.94 3ii2 s PHE 33 Ca 0.15 1.40 -0.29 0.00 0.12 0.00 0.00 56.93 58.31 3ii2 s PHE 33 Cb -0.05 -3.69 -0.09 0.00 -0.57 0.00 0.00 43.02 38.62 3ii2 s PHE 33 CO 0.10 -1.97 1.00 0.08 -0.10 0.00 0.00 175.22 174.33 3ii2 s VAL 34 N -1.17 3.88 -0.14 -0.44 1.01 -0.27 -4.78 120.40 118.48 3ii2 s VAL 34 Ca 0.51 1.81 -0.28 0.00 0.00 0.00 0.00 61.98 64.02 3ii2 s VAL 34 Cb -0.40 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 3ii2 s VAL 34 CO 0.52 0.37 0.97 -0.75 0.00 0.00 0.00 175.10 176.21 3ii2 s LYS 35 N -1.48 4.36 0.62 2.72 2.47 -1.26 -4.82 119.74 122.36 3ii2 s LYS 35 Ca 0.45 1.29 -0.16 0.00 -1.56 0.00 0.00 55.97 55.99 3ii2 s LYS 35 Cb -0.27 -3.57 -0.02 0.00 -1.46 0.00 0.00 37.83 32.52 3ii2 s LYS 35 CO 0.33 -0.37 1.11 -2.14 0.16 0.00 0.00 175.35 174.44 3ii2 s PRO 36 N 2.26 2.99 0.06 4.03 0.02 -1.26 -4.81 135.00 138.28 3ii2 s PRO 36 Ca 0.45 1.42 0.23 0.00 0.02 0.00 0.00 61.00 63.12 3ii2 s PRO 36 Cb -0.17 -1.97 0.02 0.00 0.02 0.00 0.00 34.50 32.39 3ii2 s PRO 36 CO 0.14 -1.11 0.99 1.97 -0.33 0.00 0.00 177.00 178.67 3ii2 n PHE 37 N -2.12 0.31 -3.63 6.54 1.16 0.40 -4.94 117.46 115.18 3ii2 n PHE 37 Ca 0.10 0.09 -0.13 0.00 -1.87 0.00 0.00 57.45 55.64 3ii2 n PHE 37 Cb 0.52 -0.49 -0.07 0.00 -1.61 0.00 0.00 39.48 37.83 3ii2 n PHE 37 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 3ii2 s ARG 38 N -3.23 0.78 0.07 3.97 3.52 -1.10 -5.02 118.95 117.95 3ii2 s ARG 38 Ca 0.03 0.90 0.09 0.00 -0.13 0.00 0.00 55.73 56.62 3ii2 s ARG 38 Cb 0.14 0.38 -0.03 0.00 -1.56 0.00 0.00 34.95 33.88 3ii2 s ARG 38 CO 0.81 -0.10 -0.25 -3.38 -0.81 0.00 0.00 175.30 171.57 3ii2 s HIS 39 N 0.30 2.18 -0.41 5.12 -3.43 -1.26 0.13 115.29 117.92 3ii2 s HIS 39 Ca 0.00 -0.40 0.04 0.00 -0.80 0.00 0.00 55.06 53.90 3ii2 s HIS 39 Cb -0.05 -1.26 0.11 0.00 -1.43 0.00 0.00 32.58 29.96 3ii2 s HIS 39 CO -0.00 0.19 0.14 0.34 -2.00 0.00 0.00 174.74 173.40 3ii2 s ASP 40 N -1.52 4.52 0.48 7.38 -1.08 0.82 -4.96 116.67 122.32 3ii2 s ASP 40 Ca 0.11 -2.47 0.27 0.00 -0.52 0.00 0.00 52.55 49.95 3ii2 s ASP 40 Cb -0.10 -1.57 1.13 0.00 -1.46 0.00 0.00 42.92 40.92 3ii2 s ASP 40 CO 0.03 -0.32 1.91 0.03 0.52 0.00 0.00 175.17 177.34 3ii2 h ARG 41 N 7.19 0.00 -0.07 4.34 3.08 -1.93 0.41 114.38 127.41 3ii2 h ARG 41 Ca -0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 3ii2 h ARG 41 Cb 0.97 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 3ii2 h ARG 41 CO 0.58 0.16 -0.10 1.96 -1.07 0.00 0.00 179.97 181.49 3ii2 h GLN 42 N 0.00 0.19 0.00 0.04 1.08 -1.92 -3.30 115.11 111.20 3ii2 h GLN 42 Ca -0.00 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 3ii2 h GLN 42 Cb 0.62 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 3ii2 h GLN 42 CO 0.02 0.67 -0.80 1.28 -0.95 0.00 0.00 178.83 179.05 3ii2 n LEU 43 N -4.67 0.73 -2.16 1.46 4.77 -1.20 -4.99 117.00 110.94 3ii2 n LEU 43 Ca -0.08 -0.22 -0.06 0.00 -0.03 0.00 0.00 56.01 55.62 3ii2 n LEU 43 Cb 0.34 -0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.34 3ii2 n LEU 43 CO 0.37 0.17 0.02 0.61 -1.33 0.00 0.00 177.39 177.23 3ii2 n GLY 44 N 1.48 0.07 3.13 -0.72 0.00 0.13 -4.93 105.19 104.34 3ii2 n GLY 44 Ca 0.04 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3ii2 n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ii2 s LYS 45 N -3.88 0.71 -0.06 1.61 1.02 -0.50 -1.27 119.74 117.38 3ii2 s LYS 45 Ca 0.13 -1.05 0.06 0.00 0.02 0.00 0.00 55.97 55.13 3ii2 s LYS 45 Cb -0.02 -0.33 -0.01 0.00 -0.52 0.00 0.00 37.83 36.95 3ii2 s LYS 45 CO 0.31 0.04 -0.25 -0.51 -0.92 0.00 0.00 175.35 174.02 3ii2 s LEU 46 N -2.28 2.07 -0.09 3.17 1.43 -0.39 -0.13 118.68 122.47 3ii2 s LEU 46 Ca 0.01 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3ii2 s LEU 46 Cb -0.03 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 3ii2 s LEU 46 CO -0.01 0.24 -0.12 -1.00 0.23 0.00 0.00 176.35 175.69 3ii2 s HIS 47 N -0.12 2.81 0.09 0.29 3.76 0.12 -1.46 115.29 120.78 3ii2 s HIS 47 Ca -0.05 -0.32 0.08 0.00 -0.15 0.00 0.00 55.06 54.63 3ii2 s HIS 47 Cb -0.14 -1.75 -0.03 0.00 1.11 0.00 0.00 32.58 31.77 3ii2 s HIS 47 CO 0.04 0.05 -0.22 0.71 -0.85 0.00 0.00 174.74 174.47 3ii2 s TYR 48 N -0.26 1.86 -0.30 1.40 2.02 0.87 -0.46 117.35 122.48 3ii2 s TYR 48 Ca 0.02 -0.41 -0.03 0.00 -0.37 0.00 0.00 57.07 56.28 3ii2 s TYR 48 Cb -0.13 -1.03 0.04 0.00 -0.40 0.00 0.00 41.96 40.44 3ii2 s TYR 48 CO 0.03 0.20 0.03 0.15 -1.57 0.00 0.00 175.55 174.38 3ii2 s LYS 49 N -1.79 2.57 -0.14 -0.62 1.02 -1.26 -0.83 119.74 118.69 3ii2 s LYS 49 Ca 0.08 -1.18 -0.03 0.00 0.02 0.00 0.00 55.97 54.85 3ii2 s LYS 49 Cb -0.10 -3.24 -0.03 0.00 -0.52 0.00 0.00 37.83 33.94 3ii2 s LYS 49 CO 0.04 -0.60 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.32 3ii2 s LEU 50 N 1.32 3.24 0.52 3.17 1.43 0.19 -4.77 118.68 123.78 3ii2 s LEU 50 Ca -0.03 -0.10 -0.21 0.00 -1.03 0.00 0.00 54.13 52.76 3ii2 s LEU 50 Cb -0.19 -1.76 -0.06 0.00 0.03 0.00 0.00 46.19 44.21 3ii2 s LEU 50 CO -0.00 0.21 1.20 -0.76 0.23 0.00 0.00 176.35 177.23 3ii2 s LEU 51 N 0.09 3.84 0.46 1.79 1.43 -1.26 -0.58 118.68 124.45 3ii2 s LEU 51 Ca -0.01 2.37 -0.23 0.00 -1.03 0.00 0.00 54.13 55.23 3ii2 s LEU 51 Cb -0.14 -4.41 -0.09 0.00 0.03 0.00 0.00 46.19 41.58 3ii2 s LEU 51 CO 0.03 -1.25 0.96 -2.65 0.23 0.00 0.00 176.35 173.66 3ii2 n PRO 52 N -1.02 1.20 -0.69 1.29 -0.02 -1.26 -4.82 135.00 129.68 3ii2 n PRO 52 Ca 0.10 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3ii2 n PRO 52 Cb 0.49 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3ii2 n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ii2 n GLY 53 N 1.26 0.69 3.63 -1.23 0.00 0.62 -4.98 105.19 105.18 3ii2 n GLY 53 Ca 0.10 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 3ii2 n GLY 53 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ii2 s ASN 54 N -4.00 4.97 0.07 1.61 0.02 -1.26 -0.73 114.94 115.61 3ii2 s ASN 54 Ca 0.00 0.06 0.01 0.00 -1.02 0.00 0.00 52.86 51.92 3ii2 s ASN 54 Cb 0.00 -1.36 -0.03 0.00 0.02 0.00 0.00 41.25 39.88 3ii2 s ASN 54 CO 0.00 0.36 -0.06 -0.31 0.02 0.00 0.00 177.10 177.11 3ii2 s TYR 55 N -0.79 0.73 -0.12 2.20 2.02 0.69 -2.78 117.35 119.30 3ii2 s TYR 55 Ca 0.12 -0.77 0.00 0.00 -0.37 0.00 0.00 57.07 56.06 3ii2 s TYR 55 Cb -0.11 -0.44 -0.02 0.00 -0.40 0.00 0.00 41.96 40.99 3ii2 s TYR 55 CO 0.02 -0.16 -0.12 0.42 -1.57 0.00 0.00 175.55 174.14 3ii2 s ILE 56 N -2.75 3.13 -0.23 2.71 1.01 0.11 0.42 121.20 125.60 3ii2 s ILE 56 Ca 0.02 -0.65 -0.07 0.00 0.00 0.00 0.00 60.65 59.95 3ii2 s ILE 56 Cb -0.01 -2.30 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 3ii2 s ILE 56 CO -0.03 0.54 0.07 -0.75 0.00 0.00 0.00 174.94 174.77 3ii2 s LYS 57 N 0.12 3.76 -0.08 2.79 2.20 0.81 -0.07 119.74 129.27 3ii2 s LYS 57 Ca -0.06 -0.43 -0.14 0.00 -0.36 0.00 0.00 55.97 54.98 3ii2 s LYS 57 Cb -0.15 -3.31 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 3ii2 s LYS 57 CO 0.04 -0.05 0.35 -0.06 -0.36 0.00 0.00 175.35 175.28 3ii2 s PHE 58 N 1.25 3.60 -0.02 4.03 0.08 -0.06 -0.66 117.98 126.19 3ii2 s PHE 58 Ca 0.05 0.80 0.02 0.00 0.12 0.00 0.00 56.93 57.92 3ii2 s PHE 58 Cb -0.14 -2.31 0.00 0.00 -0.57 0.00 0.00 43.02 40.00 3ii2 s PHE 58 CO 0.04 0.45 -0.08 0.20 -0.10 0.00 0.00 175.22 175.73 3ii2 s GLY 59 N -0.32 0.46 -0.08 4.36 0.00 -0.31 -1.31 107.32 110.10 3ii2 s GLY 59 Ca 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 44.72 44.65 3ii2 s GLY 59 CO 0.09 -0.06 -0.04 -2.27 0.00 0.00 0.00 173.10 170.83 3ii2 s LEU 60 N 0.19 0.90 -0.19 0.66 2.96 0.10 -0.73 118.68 122.58 3ii2 s LEU 60 Ca -0.03 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 3ii2 s LEU 60 Cb -0.08 -0.60 0.04 0.00 0.50 0.00 0.00 46.19 46.05 3ii2 s LEU 60 CO 0.00 -0.15 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.46 3ii2 s TYR 61 N 1.75 2.40 -0.08 5.38 2.02 -0.18 -0.46 117.35 128.19 3ii2 s TYR 61 Ca 0.03 -1.53 0.03 0.00 -0.37 0.00 0.00 57.07 55.23 3ii2 s TYR 61 Cb -0.13 -1.65 0.01 0.00 -0.40 0.00 0.00 41.96 39.79 3ii2 s TYR 61 CO -0.06 -0.73 -0.16 0.08 -1.57 0.00 0.00 175.55 173.10 3ii2 s VAL 62 N 1.40 1.46 -0.37 0.71 1.01 0.34 -0.63 120.40 124.33 3ii2 s VAL 62 Ca 0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 3ii2 s VAL 62 Cb -0.15 -1.30 0.06 0.00 0.00 0.00 0.00 36.38 34.98 3ii2 s VAL 62 CO -0.09 0.43 0.16 -0.76 0.00 0.00 0.00 175.10 174.84 3ii2 s LEU 63 N 0.53 4.66 0.11 3.92 1.43 -0.10 -1.21 118.68 128.02 3ii2 s LEU 63 Ca -0.16 -1.33 -0.17 0.00 -1.03 0.00 0.00 54.13 51.44 3ii2 s LEU 63 Cb -0.16 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 3ii2 s LEU 63 CO 0.06 -0.41 1.62 0.11 0.23 0.00 0.00 176.35 177.96 3ii2 h LYS 64 N 8.26 0.51 0.00 1.70 1.57 -1.38 -1.50 116.57 125.73 3ii2 h LYS 64 Ca -0.22 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3ii2 h LYS 64 Cb 1.08 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.32 3ii2 h LYS 64 CO 0.66 0.56 0.00 -0.91 -0.57 0.00 0.00 179.45 179.19 3ii2 h ASN 65 N 0.37 0.00 -0.19 0.86 2.35 -1.92 -1.02 115.58 116.03 3ii2 h ASN 65 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3ii2 h ASN 65 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 3ii2 h ASN 65 CO -0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 3ii2 n GLN 66 N -2.98 2.34 -4.15 0.81 1.13 -1.08 -4.95 117.38 108.49 3ii2 n GLN 66 Ca -0.01 -2.06 -0.34 0.00 -1.94 0.00 0.00 57.00 52.65 3ii2 n GLN 66 Cb 0.18 -1.47 -0.02 0.00 0.11 0.00 0.00 30.24 29.04 3ii2 n GLN 66 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3ii2 n ASP 67 N 1.38 -2.84 -4.46 1.08 2.03 -0.39 -4.95 116.55 108.41 3ii2 n ASP 67 Ca 0.16 -0.99 -0.33 0.00 0.52 0.00 0.00 54.79 54.15 3ii2 n ASP 67 Cb 0.59 -2.90 -0.13 0.00 -0.72 0.00 0.00 41.12 37.96 3ii2 n ASP 67 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3ii2 s TYR 68 N -3.43 2.83 -0.04 -0.67 5.04 -0.60 -1.60 117.35 118.87 3ii2 s TYR 68 Ca 0.59 -0.33 0.01 0.00 -2.44 0.00 0.00 57.07 54.89 3ii2 s TYR 68 Cb -0.32 -1.77 0.02 0.00 0.35 0.00 0.00 41.96 40.25 3ii2 s TYR 68 CO 0.91 0.03 -0.03 0.00 -1.34 0.00 0.00 175.55 175.13 3ii2 s ALA 69 N -0.19 0.56 -0.12 3.97 0.00 0.37 -0.92 121.76 125.43 3ii2 s ALA 69 Ca 0.01 0.01 0.01 0.00 0.00 0.00 0.00 51.96 51.99 3ii2 s ALA 69 Cb -0.13 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 3ii2 s ALA 69 CO 0.03 -0.06 -0.17 0.50 0.00 0.00 0.00 175.76 176.06 3ii2 s ARG 70 N 1.01 3.25 -0.09 0.00 3.52 0.20 -0.88 118.95 125.95 3ii2 s ARG 70 Ca -0.10 -0.76 0.02 0.00 -0.13 0.00 0.00 55.73 54.76 3ii2 s ARG 70 Cb -0.14 -2.52 -0.02 0.00 -1.56 0.00 0.00 34.95 30.71 3ii2 s ARG 70 CO -0.01 0.17 -0.14 0.12 -0.81 0.00 0.00 175.30 174.63 3ii2 s PHE 71 N 0.43 2.75 0.06 5.12 5.36 -0.18 -1.01 117.98 130.51 3ii2 s PHE 71 Ca -0.13 -0.46 0.04 0.00 -0.96 0.00 0.00 56.93 55.43 3ii2 s PHE 71 Cb -0.16 -1.74 -0.03 0.00 -0.34 0.00 0.00 43.02 40.74 3ii2 s PHE 71 CO 0.06 -0.06 -0.12 -1.21 -1.46 0.00 0.00 175.22 172.43 3ii2 s GLU 72 N -0.10 0.74 -0.10 10.12 2.02 0.09 -1.33 118.70 130.13 3ii2 s GLU 72 Ca -0.02 -0.87 0.03 0.00 0.02 0.00 0.00 54.97 54.12 3ii2 s GLU 72 Cb -0.14 -0.68 0.01 0.00 0.10 0.00 0.00 34.13 33.42 3ii2 s GLU 72 CO 0.04 0.15 -0.18 0.42 0.02 0.00 0.00 175.26 175.70 3ii2 s ILE 73 N -1.26 1.66 0.09 -1.63 1.01 -0.15 -1.16 121.20 119.75 3ii2 s ILE 73 Ca -0.04 -0.76 0.08 0.00 0.00 0.00 0.00 60.65 59.92 3ii2 s ILE 73 Cb -0.10 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 3ii2 s ILE 73 CO 0.02 0.47 -0.20 0.00 0.00 0.00 0.00 174.94 175.23 3ii2 s ALA 74 N 0.69 1.69 -0.17 9.38 0.00 0.17 -0.43 121.76 133.08 3ii2 s ALA 74 Ca -0.12 -1.17 -0.12 0.00 0.00 0.00 0.00 51.96 50.55 3ii2 s ALA 74 Cb -0.16 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 3ii2 s ALA 74 CO 0.03 0.34 0.22 -0.46 0.00 0.00 0.00 175.76 175.88 3ii2 s TRP 75 N -1.11 3.45 -0.15 0.00 -0.11 0.10 -0.14 118.94 120.99 3ii2 s TRP 75 Ca 0.05 0.49 0.02 0.00 1.22 0.00 0.00 56.10 57.88 3ii2 s TRP 75 Cb -0.10 -2.25 0.02 0.00 -1.50 0.00 0.00 33.47 29.64 3ii2 s TRP 75 CO 0.03 0.29 -0.19 0.08 -4.62 0.00 0.00 176.95 172.55 3ii2 s VAL 76 N 0.32 1.87 -0.21 5.86 1.01 0.17 -0.98 120.40 128.43 3ii2 s VAL 76 Ca 0.13 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 3ii2 s VAL 76 Cb -0.12 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 3ii2 s VAL 76 CO 0.02 0.51 -0.05 -2.28 0.00 0.00 0.00 175.10 173.30 3ii2 s HIS 77 N 1.10 2.96 -0.19 5.22 2.46 1.00 -0.22 115.29 127.60 3ii2 s HIS 77 Ca -0.02 -0.84 -0.01 0.00 0.47 0.00 0.00 55.06 54.67 3ii2 s HIS 77 Cb -0.14 -2.08 0.01 0.00 -0.13 0.00 0.00 32.58 30.24 3ii2 s HIS 77 CO -0.06 -0.47 -0.14 0.08 -2.47 0.00 0.00 174.74 171.68 3ii2 s VAL 78 N 1.29 2.60 0.35 0.89 1.01 0.09 -1.49 120.40 125.14 3ii2 s VAL 78 Ca 0.04 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3ii2 s VAL 78 Cb -0.14 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 3ii2 s VAL 78 CO -0.02 0.50 0.53 -1.81 0.00 0.00 0.00 175.10 174.30 3ii2 s ASP 79 N 1.29 6.17 0.20 3.32 1.01 -0.19 -0.27 116.67 128.19 3ii2 s ASP 79 Ca 0.04 0.28 -0.13 0.00 0.71 0.00 0.00 52.55 53.45 3ii2 s ASP 79 Cb -0.14 -1.81 0.22 0.00 1.01 0.00 0.00 42.92 42.20 3ii2 s ASP 79 CO -0.08 -0.36 1.66 0.11 0.21 0.00 0.00 175.17 176.72 3ii2 h LYS 80 N 0.76 0.07 0.00 8.23 1.57 -1.96 -1.89 116.57 123.35 3ii2 h LYS 80 Ca -0.49 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3ii2 h LYS 80 Cb 1.23 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3ii2 h LYS 80 CO 0.59 0.05 0.00 -0.40 -0.57 0.00 0.00 179.45 179.12 3ii2 n ASP 81 N -5.30 0.00 0.00 0.86 3.85 -1.26 -4.79 116.55 109.91 3ii2 n ASP 81 Ca 0.07 -0.49 0.00 0.00 -0.71 0.00 0.00 54.79 53.66 3ii2 n ASP 81 Cb 0.31 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.04 3ii2 n ASP 81 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ii2 n GLY 82 N 0.12 0.24 3.72 6.12 0.00 -0.71 -5.05 105.19 109.63 3ii2 n GLY 82 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3ii2 n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ii2 s LYS 83 N -0.93 4.18 -0.07 1.61 2.20 -1.26 -4.78 119.74 120.68 3ii2 s LYS 83 Ca 0.00 2.46 0.04 0.00 -0.36 0.00 0.00 55.97 58.11 3ii2 s LYS 83 Cb 0.00 -3.17 -0.00 0.00 -1.51 0.00 0.00 37.83 33.15 3ii2 s LYS 83 CO 0.00 -0.68 -0.22 0.42 -0.36 0.00 0.00 175.35 174.52 3ii2 s ILE 84 N 1.30 1.84 -0.03 5.43 1.01 -1.26 -1.02 121.20 128.47 3ii2 s ILE 84 Ca 0.72 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 60.50 3ii2 s ILE 84 Cb -0.46 -1.58 -0.00 0.00 0.01 0.00 0.00 42.46 40.43 3ii2 s ILE 84 CO 0.32 0.51 -0.13 -0.70 0.00 0.00 0.00 174.94 174.94 3ii2 s GLU 85 N 0.19 1.34 -0.00 2.79 2.12 -0.56 -4.98 118.70 119.60 3ii2 s GLU 85 Ca -0.12 -0.46 0.05 0.00 0.36 0.00 0.00 54.97 54.80 3ii2 s GLU 85 Cb -0.15 -1.21 -0.01 0.00 0.26 0.00 0.00 34.13 33.01 3ii2 s GLU 85 CO 0.06 0.19 -0.14 -1.21 -0.54 0.00 0.00 175.26 173.62 3ii2 s GLU 86 N 0.06 1.12 -0.03 4.30 2.02 -1.26 -0.00 118.70 124.91 3ii2 s GLU 86 Ca -0.02 -0.57 -0.01 0.00 0.02 0.00 0.00 54.97 54.39 3ii2 s GLU 86 Cb -0.09 -1.10 0.03 0.00 0.10 0.00 0.00 34.13 33.07 3ii2 s GLU 86 CO 0.01 0.30 0.04 1.03 0.02 0.00 0.00 175.26 176.66 3ii2 s ARG 87 N -0.50 -0.04 -0.08 1.61 0.52 -0.15 -4.97 118.95 115.33 3ii2 s ARG 87 Ca 0.05 0.28 -0.30 0.00 -0.52 0.00 0.00 55.73 55.25 3ii2 s ARG 87 Cb -0.06 -0.40 -0.02 0.00 0.52 0.00 0.00 34.95 34.99 3ii2 s ARG 87 CO -0.00 -0.25 1.10 0.99 0.02 0.00 0.00 175.30 177.15 3ii2 s THR 88 N 1.65 4.53 -0.73 0.02 2.01 -1.26 0.01 115.64 121.87 3ii2 s THR 88 Ca -0.02 1.82 0.11 0.00 0.31 0.00 0.00 61.69 63.92 3ii2 s THR 88 Cb -0.12 -4.17 -0.07 0.00 0.01 0.00 0.00 72.50 68.14 3ii2 s THR 88 CO -0.03 0.00 0.55 1.33 -0.69 0.00 0.00 174.62 175.78 3ii2 n VAL 89 N 4.58 0.00 -3.61 3.82 0.24 0.42 -4.94 118.33 118.83 3ii2 n VAL 89 Ca 0.10 -0.30 -0.12 0.00 -2.04 0.00 0.00 64.34 61.98 3ii2 n VAL 89 Cb 0.47 1.05 -0.07 0.00 -1.47 0.00 0.00 33.84 33.83 3ii2 n VAL 89 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3ii2 s TYR 90 N -1.83 -0.60 -0.23 6.34 5.04 -1.06 -4.97 117.35 120.04 3ii2 s TYR 90 Ca 0.06 1.39 -0.18 0.00 -2.44 0.00 0.00 57.07 55.91 3ii2 s TYR 90 Cb 0.09 0.34 0.06 0.00 0.35 0.00 0.00 41.96 42.80 3ii2 s TYR 90 CO 0.39 -0.34 0.59 0.45 -1.34 0.00 0.00 175.55 175.29 3ii2 s SER 91 N -0.02 -0.68 -0.04 4.32 0.15 -1.26 -0.98 113.70 115.19 3ii2 s SER 91 Ca -0.00 1.23 -0.08 0.00 0.70 0.00 0.00 55.95 57.80 3ii2 s SER 91 Cb -0.04 1.18 0.01 0.00 -1.71 0.00 0.00 66.02 65.47 3ii2 s SER 91 CO -0.01 -0.21 0.19 -0.51 1.20 0.00 0.00 173.24 173.90 3ii2 s ILE 92 N 0.83 0.04 -0.09 6.45 2.07 -0.44 -5.00 121.20 125.06 3ii2 s ILE 92 Ca -0.04 -0.31 0.01 0.00 -1.41 0.00 0.00 60.65 58.90 3ii2 s ILE 92 Cb -0.05 -0.38 -0.02 0.00 0.13 0.00 0.00 42.46 42.14 3ii2 s ILE 92 CO -0.07 -0.17 -0.12 -1.61 -1.91 0.00 0.00 174.94 171.07 3ii2 s GLU 93 N -0.60 2.91 0.26 3.50 2.02 -1.26 -1.01 118.70 124.51 3ii2 s GLU 93 Ca -0.07 -0.65 -0.08 0.00 0.02 0.00 0.00 54.97 54.19 3ii2 s GLU 93 Cb -0.04 -2.54 0.03 0.00 0.10 0.00 0.00 34.13 31.68 3ii2 s GLU 93 CO 0.01 0.48 0.48 -2.37 0.02 0.00 0.00 175.26 173.88 3ii2 n THR 94 N 2.75 0.00 -2.50 3.63 5.66 -0.06 -5.02 114.28 118.73 3ii2 n THR 94 Ca -0.18 -0.76 -0.40 0.00 -3.05 0.00 0.00 64.05 59.66 3ii2 n THR 94 Cb 0.52 0.67 -0.04 0.00 -1.55 0.00 0.00 70.33 69.93 3ii2 n THR 94 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3ii2 s TYR 95 N -4.32 3.59 0.32 1.09 2.02 -1.26 -0.48 117.35 118.32 3ii2 s TYR 95 Ca 0.12 1.72 0.02 0.00 -0.37 0.00 0.00 57.07 58.56 3ii2 s TYR 95 Cb -0.03 -3.24 0.58 0.00 -0.40 0.00 0.00 41.96 38.87 3ii2 s TYR 95 CO 0.09 -0.46 1.96 2.35 -1.57 0.00 0.00 175.55 177.92 3ii2 h TRP 96 N 3.74 0.93 0.00 2.71 -0.00 -1.52 -1.89 115.95 119.92 3ii2 h TRP 96 Ca -0.47 0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 58.42 3ii2 h TRP 96 Cb 1.21 -0.31 -0.00 0.00 -0.00 0.00 0.00 29.16 30.06 3ii2 h TRP 96 CO 0.59 0.53 -0.14 1.12 -0.00 0.00 0.00 178.44 180.54 3ii2 h HIS 97 N 0.95 0.00 0.10 2.65 2.07 -1.93 -0.03 115.15 118.97 3ii2 h HIS 97 Ca 0.32 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.70 3ii2 h HIS 97 Cb 0.08 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.07 3ii2 h HIS 97 CO -0.00 0.14 -0.62 0.82 -3.07 0.00 0.00 177.93 175.20 3ii2 h ILE 98 N 0.00 1.58 -0.38 6.12 2.04 -1.78 -3.26 117.51 121.83 3ii2 h ILE 98 Ca -0.00 -2.49 -0.12 0.00 1.00 0.00 0.00 64.86 63.26 3ii2 h ILE 98 Cb 0.35 3.24 -0.01 0.00 -0.74 0.00 0.00 36.82 39.66 3ii2 h ILE 98 CO 0.02 0.69 -0.23 0.15 0.00 0.00 0.00 178.15 178.77 3ii2 h PHE 99 N -0.54 0.86 -0.11 1.37 3.57 -0.97 -2.35 116.94 118.77 3ii2 h PHE 99 Ca -0.11 -0.20 -0.07 0.00 3.53 0.00 0.00 57.97 61.13 3ii2 h PHE 99 Cb 1.48 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 3ii2 h PHE 99 CO 0.22 0.92 -0.23 0.97 -2.23 0.00 0.00 178.31 177.95 3ii2 h ILE 100 N 0.66 1.22 0.00 1.41 2.10 -1.15 -2.62 117.51 119.13 3ii2 h ILE 100 Ca 0.09 -1.01 0.00 0.00 1.08 0.00 0.00 64.86 65.02 3ii2 h ILE 100 Cb 0.74 1.40 0.00 0.00 -1.09 0.00 0.00 36.82 37.87 3ii2 h ILE 100 CO 0.06 0.31 0.00 -0.67 -1.08 0.00 0.00 178.15 176.76 3ii2 n ASP 101 N -4.19 0.52 -0.00 2.19 2.03 -0.89 -2.95 116.55 113.26 3ii2 n ASP 101 Ca -0.01 0.58 0.08 0.00 0.52 0.00 0.00 54.79 55.96 3ii2 n ASP 101 Cb 0.33 -0.71 0.48 0.00 -0.72 0.00 0.00 41.12 40.51 3ii2 n ASP 101 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3ii2 h ILE 102 N 0.00 1.01 -1.12 5.18 2.04 -1.39 -1.70 117.51 121.54 3ii2 h ILE 102 Ca 0.00 -0.15 0.33 0.00 1.00 0.00 0.00 64.86 66.05 3ii2 h ILE 102 Cb 0.50 0.55 -0.12 0.00 -0.74 0.00 0.00 36.82 37.00 3ii2 h ILE 102 CO 0.00 0.08 0.70 -0.33 0.00 0.00 0.00 178.15 178.59 3ii2 h GLU 103 N 0.43 0.28 -0.38 2.37 5.08 -1.72 -0.87 114.58 119.76 3ii2 h GLU 103 Ca 0.18 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3ii2 h GLU 103 Cb 0.19 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3ii2 h GLU 103 CO -0.04 0.18 0.00 0.09 -1.00 0.00 0.00 179.01 178.24 3ii2 n ASN 104 N -4.78 3.35 -4.74 1.42 5.03 -0.64 -4.94 115.26 109.96 3ii2 n ASN 104 Ca 0.31 -1.98 -0.41 0.00 0.87 0.00 0.00 54.58 53.37 3ii2 n ASN 104 Cb 1.08 -0.24 -0.04 0.00 -1.02 0.00 0.00 39.78 39.56 3ii2 n ASN 104 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3ii2 s ASP 105 N -1.49 7.10 0.25 6.41 -1.08 -0.33 -4.94 116.67 122.59 3ii2 s ASP 105 Ca 0.38 2.27 0.13 0.00 -0.52 0.00 0.00 52.55 54.81 3ii2 s ASP 105 Cb 0.23 -2.61 0.18 0.00 -1.46 0.00 0.00 42.92 39.25 3ii2 s ASP 105 CO 0.31 -0.34 1.49 -0.07 0.52 0.00 0.00 175.17 177.09 3ii2 h LEU 106 N 4.85 0.00 -7.18 -1.34 3.38 -1.92 -3.41 115.31 109.69 3ii2 h LEU 106 Ca -0.45 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 56.99 3ii2 h LEU 106 Cb 1.21 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.56 3ii2 h LEU 106 CO 0.72 0.65 -0.76 0.20 0.09 0.00 0.00 178.44 179.34 3ii2 s ASN 107 N -6.61 3.17 0.19 -0.43 0.01 -1.26 -5.11 114.94 104.90 3ii2 s ASN 107 Ca 0.01 -1.02 -0.24 0.00 -0.71 0.00 0.00 52.86 50.91 3ii2 s ASN 107 Cb 0.10 -0.60 0.05 0.00 0.41 0.00 0.00 41.25 41.21 3ii2 s ASN 107 CO 0.76 -0.34 0.84 0.00 -1.51 0.00 0.00 177.10 176.84 3ii2 s PRO 109 N -3.55 4.24 0.15 0.00 0.02 -1.26 -4.88 135.00 129.72 3ii2 s PRO 109 Ca 0.10 2.27 -0.14 0.00 0.02 0.00 0.00 61.00 63.25 3ii2 s PRO 109 Cb -0.03 -3.24 0.03 0.00 0.02 0.00 0.00 34.50 31.28 3ii2 s PRO 109 CO 0.02 -0.58 1.72 -0.92 -0.33 0.00 0.00 177.00 176.91 3ii2 h TYR 110 N 7.00 0.71 -0.61 6.54 3.20 -2.00 -1.65 116.97 130.15 3ii2 h TYR 110 Ca -0.42 -0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.46 3ii2 h TYR 110 Cb 1.20 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 39.22 3ii2 h TYR 110 CO 0.67 0.58 0.41 -0.24 -1.64 0.00 0.00 178.16 177.94 3ii2 h VAL 111 N 0.63 1.02 -0.06 1.81 3.04 -1.99 0.83 116.25 121.53 3ii2 h VAL 111 Ca 0.16 -0.22 -0.06 0.00 -1.01 0.00 0.00 66.70 65.58 3ii2 h VAL 111 Cb 0.16 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 29.77 3ii2 h VAL 111 CO -0.02 0.12 -0.19 0.25 -1.01 0.00 0.00 177.57 176.72 3ii2 h LEU 112 N 0.63 0.28 -0.82 3.16 5.85 -1.71 -0.52 115.31 122.18 3ii2 h LEU 112 Ca 0.26 -0.61 0.02 0.00 0.84 0.00 0.00 57.88 58.39 3ii2 h LEU 112 Cb 0.23 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3ii2 h LEU 112 CO -0.08 0.84 0.53 0.00 -0.34 0.00 0.00 178.44 179.39 3ii2 h ALA 113 N 0.45 1.06 -0.44 1.25 0.00 -0.88 -1.44 119.26 119.26 3ii2 h ALA 113 Ca -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3ii2 h ALA 113 Cb 0.81 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3ii2 h ALA 113 CO 0.04 0.39 0.14 -0.22 0.00 0.00 0.00 179.25 179.60 3ii2 h LYS 114 N 1.05 0.68 -0.34 0.00 1.63 -0.84 -0.84 116.57 117.91 3ii2 h LYS 114 Ca 0.31 -0.14 0.05 0.00 -0.85 0.00 0.00 60.65 60.02 3ii2 h LYS 114 Cb -0.05 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.44 3ii2 h LYS 114 CO -0.09 0.65 0.06 0.35 -3.45 0.00 0.00 179.45 176.97 3ii2 h PHE 115 N 0.57 0.11 -0.38 1.91 3.57 -0.72 -1.42 116.94 120.57 3ii2 h PHE 115 Ca 0.14 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3ii2 h PHE 115 Cb 0.25 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3ii2 h PHE 115 CO 0.01 0.02 0.11 0.82 -2.23 0.00 0.00 178.31 177.03 3ii2 h ILE 116 N 0.18 1.22 -0.53 1.41 2.04 -1.09 -2.51 117.51 118.23 3ii2 h ILE 116 Ca 0.16 -0.73 0.10 0.00 1.00 0.00 0.00 64.86 65.40 3ii2 h ILE 116 Cb 0.18 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3ii2 h ILE 116 CO -0.21 0.25 0.36 -0.08 0.00 0.00 0.00 178.15 178.47 3ii2 h GLU 117 N 0.47 0.26 -0.11 2.37 4.81 -0.79 -2.04 114.58 119.55 3ii2 h GLU 117 Ca 0.12 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3ii2 h GLU 117 Cb 0.28 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3ii2 h GLU 117 CO -0.00 0.17 0.00 -1.33 -0.73 0.00 0.00 179.01 177.12 3ii2 n MET 118 N -4.45 1.42 -1.63 1.92 2.81 -0.57 -4.94 117.12 111.68 3ii2 n MET 118 Ca 0.09 -0.64 -0.38 0.00 -1.81 0.00 0.00 57.70 54.96 3ii2 n MET 118 Cb 0.41 -1.33 0.04 0.00 -0.71 0.00 0.00 33.22 31.63 3ii2 n MET 118 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 3ii2 n ARG 119 N -0.13 1.08 -1.92 0.03 1.85 -0.77 -4.52 116.66 112.28 3ii2 n ARG 119 Ca 0.14 0.41 -0.42 0.00 -1.00 0.00 0.00 57.85 56.98 3ii2 n ARG 119 Cb 0.21 -2.19 -0.02 0.00 -1.05 0.00 0.00 32.46 29.41 3ii2 n ARG 119 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3ii2 s PRO 120 N -2.62 4.21 0.96 2.89 0.04 -1.26 -4.79 135.00 134.43 3ii2 s PRO 120 Ca 0.73 2.41 -0.12 0.00 0.04 0.00 0.00 61.00 64.06 3ii2 s PRO 120 Cb -0.44 -3.09 0.17 0.00 0.04 0.00 0.00 34.50 31.17 3ii2 s PRO 120 CO 0.49 -0.54 1.09 -1.21 0.04 0.00 0.00 177.00 176.87 3ii2 s GLU 121 N 0.00 0.74 0.07 4.56 2.02 -1.26 -4.70 118.70 120.12 3ii2 s GLU 121 Ca 0.64 0.95 -0.34 0.00 0.02 0.00 0.00 54.97 56.23 3ii2 s GLU 121 Cb -0.44 -1.74 -0.14 0.00 0.10 0.00 0.00 34.13 31.91 3ii2 s GLU 121 CO 0.41 -2.64 1.65 0.34 0.02 0.00 0.00 175.26 175.05 3ii2 n PHE 122 N -4.17 2.21 -1.50 1.61 7.35 -1.26 -1.30 117.46 120.39 3ii2 n PHE 122 Ca 0.07 0.23 -0.17 0.00 -0.76 0.00 0.00 57.45 56.82 3ii2 n PHE 122 Cb 0.54 -2.56 -0.07 0.00 0.35 0.00 0.00 39.48 37.75 3ii2 n PHE 122 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 3ii2 n HIS 123 N 4.34 0.00 -4.43 -5.13 8.25 -0.13 -4.97 115.22 113.15 3ii2 n HIS 123 Ca 0.19 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.45 3ii2 n HIS 123 Cb 0.27 -3.09 -0.05 0.00 1.12 0.00 0.00 29.99 28.25 3ii2 n HIS 123 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3ii2 n LYS 124 N -2.13 0.96 -4.16 -0.41 5.02 -0.42 -4.91 118.16 112.10 3ii2 n LYS 124 Ca -0.17 -2.42 -0.24 0.00 -2.02 0.00 0.00 58.31 53.46 3ii2 n LYS 124 Cb 0.61 0.94 -0.07 0.00 -0.02 0.00 0.00 35.03 36.50 3ii2 n LYS 124 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3ii2 s THR 125 N -2.39 2.86 -0.33 -0.18 -4.23 -1.26 -4.18 115.64 105.91 3ii2 s THR 125 Ca 0.06 -1.77 -0.19 0.00 -1.18 0.00 0.00 61.69 58.61 3ii2 s THR 125 Cb 0.00 -2.93 -0.00 0.00 1.34 0.00 0.00 72.50 70.91 3ii2 s THR 125 CO 0.05 -0.17 0.59 0.00 -0.54 0.00 0.00 174.62 174.54 3ii2 s ALA 126 N -2.46 3.49 0.65 3.99 0.00 -1.26 -4.48 121.76 121.68 3ii2 s ALA 126 Ca 0.37 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.49 3ii2 s ALA 126 Cb -0.01 -3.08 0.07 0.00 0.00 0.00 0.00 23.12 20.10 3ii2 s ALA 126 CO 0.22 -1.19 0.91 -0.46 0.00 0.00 0.00 175.76 175.24 3ii2 s TRP 127 N 2.56 2.44 -0.17 0.00 -0.00 -1.26 -4.97 118.94 117.53 3ii2 s TRP 127 Ca 0.23 0.01 -0.06 0.00 -0.00 0.00 0.00 56.10 56.27 3ii2 s TRP 127 Cb -0.15 -2.96 0.08 0.00 -0.00 0.00 0.00 33.47 30.44 3ii2 s TRP 127 CO 0.13 -1.30 0.36 0.08 -0.00 0.00 0.00 176.95 176.22 3ii2 s VAL 128 N -3.02 -0.54 0.77 5.86 1.01 -1.26 -4.99 120.40 118.24 3ii2 s VAL 128 Ca 0.61 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.69 3ii2 s VAL 128 Cb -0.09 -0.58 0.06 0.00 0.00 0.00 0.00 36.38 35.77 3ii2 s VAL 128 CO 0.42 0.09 1.08 -1.61 0.00 0.00 0.00 175.10 175.08 3ii2 s GLU 129 N 2.49 2.27 0.50 2.72 0.41 -1.26 -4.68 118.70 121.15 3ii2 s GLU 129 Ca -0.01 0.84 -0.23 0.00 -0.41 0.00 0.00 54.97 55.16 3ii2 s GLU 129 Cb -0.12 -1.92 -0.07 0.00 -1.78 0.00 0.00 34.13 30.24 3ii2 s GLU 129 CO -0.11 -1.54 1.25 -1.91 -0.49 0.00 0.00 175.26 172.46 3ii2 n GLU 130 N -3.41 1.68 -3.53 1.61 2.13 -1.26 -4.86 120.64 113.00 3ii2 n GLU 130 Ca 0.07 0.61 -0.13 0.00 0.66 0.00 0.00 57.16 58.37 3ii2 n GLU 130 Cb 0.55 -2.42 -0.05 0.00 0.27 0.00 0.00 31.44 29.79 3ii2 n GLU 130 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3ii2 s SER 131 N -0.78 -0.50 -0.07 4.31 0.15 -1.26 -4.99 113.70 110.56 3ii2 s SER 131 Ca 0.67 0.45 0.10 0.00 0.70 0.00 0.00 55.95 57.88 3ii2 s SER 131 Cb -0.46 0.43 0.16 0.00 -1.71 0.00 0.00 66.02 64.44 3ii2 s SER 131 CO 0.53 -0.53 1.05 -0.46 1.20 0.00 0.00 173.24 175.03 3ii2 n ASN 132 N 0.60 1.87 -4.80 5.45 6.94 -1.26 -5.06 115.26 119.00 3ii2 n ASN 132 Ca -0.14 -2.54 -0.35 0.00 -0.02 0.00 0.00 54.58 51.54 3ii2 n ASN 132 Cb 0.59 -0.26 -0.05 0.00 -2.36 0.00 0.00 39.78 37.70 3ii2 n ASN 132 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 3ii2 s TYR 133 N -1.86 3.19 -0.03 -2.53 5.04 -1.26 -5.07 117.35 114.83 3ii2 s TYR 133 Ca 0.17 1.62 -0.02 0.00 -2.44 0.00 0.00 57.07 56.40 3ii2 s TYR 133 Cb 0.15 -3.01 0.01 0.00 0.35 0.00 0.00 41.96 39.46 3ii2 s TYR 133 CO 0.02 -0.52 0.07 -1.54 -1.34 0.00 0.00 175.55 172.24 3ii2 s SER 134 N -1.91 -0.07 0.88 4.32 1.04 -1.26 -4.51 113.70 112.19 3ii2 s SER 134 Ca 0.62 0.14 -0.12 0.00 0.48 0.00 0.00 55.95 57.08 3ii2 s SER 134 Cb -0.16 0.14 0.12 0.00 0.10 0.00 0.00 66.02 66.22 3ii2 s SER 134 CO 0.20 -0.03 1.10 0.27 0.98 0.00 0.00 173.24 175.76 3ii2 s ILE 135 N 0.08 2.60 -0.47 -1.02 -4.36 -0.59 -4.97 121.20 112.47 3ii2 s ILE 135 Ca -0.00 0.20 0.24 0.00 -0.26 0.00 0.00 60.65 60.82 3ii2 s ILE 135 Cb -0.01 -2.80 0.20 0.00 1.25 0.00 0.00 42.46 41.10 3ii2 s ILE 135 CO -0.00 -0.25 1.45 0.00 0.24 0.00 0.00 174.94 176.37 3ii2 h ALA 136 N -1.45 0.81 -2.64 2.27 0.00 -2.00 -3.46 119.26 112.78 3ii2 h ALA 136 Ca -0.50 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.85 3ii2 h ALA 136 Cb 1.29 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 3ii2 h ALA 136 CO 0.58 0.00 -0.06 -1.21 0.00 0.00 0.00 179.25 178.56 3ii2 s GLU 137 N -3.22 4.09 1.12 0.00 2.02 -1.26 -5.08 118.70 116.37 3ii2 s GLU 137 Ca 0.06 0.62 -0.17 0.00 0.02 0.00 0.00 54.97 55.50 3ii2 s GLU 137 Cb 0.09 -3.08 0.25 0.00 0.10 0.00 0.00 34.13 31.48 3ii2 s GLU 137 CO 0.70 0.56 1.12 0.16 0.02 0.00 0.00 175.26 177.81 3ii2 s ASP 138 N -1.41 1.62 0.32 -0.19 1.47 -1.26 -4.72 116.67 112.50 3ii2 s ASP 138 Ca 0.33 0.79 0.04 0.00 1.18 0.00 0.00 52.55 54.89 3ii2 s ASP 138 Cb -0.17 -1.17 0.55 0.00 -0.34 0.00 0.00 42.92 41.79 3ii2 s ASP 138 CO 0.19 -3.71 1.84 -2.24 0.68 0.00 0.00 175.17 171.92 3ii2 h ASP 139 N -2.30 0.49 0.15 2.11 2.03 -1.98 -0.36 116.42 116.56 3ii2 h ASP 139 Ca -0.48 -0.11 -0.01 0.00 -0.73 0.00 0.00 57.03 55.70 3ii2 h ASP 139 Cb 1.31 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 3ii2 h ASP 139 CO 0.43 0.61 -0.07 0.40 -1.03 0.00 0.00 179.24 179.57 3ii2 h ILE 140 N 0.49 1.00 -0.87 4.15 1.08 -1.99 -1.51 117.51 119.86 3ii2 h ILE 140 Ca 0.10 -0.92 0.04 0.00 -0.39 0.00 0.00 64.86 63.69 3ii2 h ILE 140 Cb 0.42 1.54 -0.05 0.00 -3.07 0.00 0.00 36.82 35.66 3ii2 h ILE 140 CO 0.02 0.21 0.57 1.56 -0.69 0.00 0.00 178.15 179.82 3ii2 h GLN 141 N -0.66 1.04 0.19 2.37 4.20 -1.90 -0.43 115.11 119.91 3ii2 h GLN 141 Ca -0.02 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3ii2 h GLN 141 Cb 0.49 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3ii2 h GLN 141 CO 0.03 0.69 -0.09 1.98 -0.67 0.00 0.00 178.83 180.77 3ii2 h MET 142 N 1.07 -0.24 -0.58 1.46 4.05 -1.00 0.52 114.93 120.20 3ii2 h MET 142 Ca 0.35 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.77 3ii2 h MET 142 Cb 0.05 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.88 3ii2 h MET 142 CO -0.11 -0.10 0.30 0.28 0.23 0.00 0.00 176.91 177.51 3ii2 h VAL 143 N -0.33 1.20 -0.82 -5.77 2.07 -1.00 -2.01 116.25 109.59 3ii2 h VAL 143 Ca -0.03 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 3ii2 h VAL 143 Cb 0.25 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3ii2 h VAL 143 CO 0.04 0.22 0.40 -0.33 0.02 0.00 0.00 177.57 177.92 3ii2 h GLU 144 N 0.79 1.17 -0.80 1.57 4.39 -0.90 -1.15 114.58 119.65 3ii2 h GLU 144 Ca 0.20 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 3ii2 h GLU 144 Cb 0.08 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.48 3ii2 h GLU 144 CO -0.03 0.89 0.38 0.77 -1.16 0.00 0.00 179.01 179.86 3ii2 h SER 145 N 1.16 1.05 -0.22 1.42 0.02 -0.58 -0.79 113.55 115.61 3ii2 h SER 145 Ca 0.28 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3ii2 h SER 145 Cb 0.11 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 3ii2 h SER 145 CO -0.04 0.89 0.10 0.40 -1.14 0.00 0.00 176.83 177.05 3ii2 h ILE 146 N 1.13 1.14 -0.29 3.27 2.04 -0.86 -1.35 117.51 122.59 3ii2 h ILE 146 Ca 0.27 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3ii2 h ILE 146 Cb 0.13 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3ii2 h ILE 146 CO -0.03 0.14 0.19 0.11 0.00 0.00 0.00 178.15 178.56 3ii2 h LYS 147 N 0.22 0.39 -0.44 2.37 1.57 -0.98 -1.32 116.57 118.38 3ii2 h LYS 147 Ca 0.07 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3ii2 h LYS 147 Cb 0.13 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3ii2 h LYS 147 CO -0.01 0.26 0.29 -0.09 -0.57 0.00 0.00 179.45 179.33 3ii2 h ARG 148 N 0.40 0.57 -0.45 3.15 2.43 -1.07 -0.08 114.38 119.32 3ii2 h ARG 148 Ca 0.11 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3ii2 h ARG 148 Cb -0.04 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 3ii2 h ARG 148 CO -0.02 0.38 0.21 -0.92 -1.51 0.00 0.00 179.97 178.10 3ii2 h TYR 149 N 0.58 0.67 -0.17 2.20 3.20 -1.07 -2.73 116.97 119.65 3ii2 h TYR 149 Ca 0.16 -0.04 -0.15 0.00 3.14 0.00 0.00 58.73 61.85 3ii2 h TYR 149 Cb -0.06 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 3ii2 h TYR 149 CO -0.05 0.55 -0.52 -0.07 -1.64 0.00 0.00 178.16 176.43 3ii2 h LEU 150 N 0.59 0.54 -0.79 2.82 3.38 -0.98 -0.84 115.31 120.02 3ii2 h LEU 150 Ca 0.15 -0.28 0.10 0.00 0.09 0.00 0.00 57.88 57.95 3ii2 h LEU 150 Cb 0.14 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 3ii2 h LEU 150 CO -0.02 0.96 0.44 -0.33 0.09 0.00 0.00 178.44 179.58 3ii2 h GLU 151 N 0.38 0.71 0.47 1.13 4.39 -0.92 0.89 114.58 121.63 3ii2 h GLU 151 Ca 0.01 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3ii2 h GLU 151 Cb 1.04 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 3ii2 h GLU 151 CO 0.09 0.47 -0.23 0.00 -1.16 0.00 0.00 179.01 178.18 3ii2 h ARG 152 N 0.73 -0.61 -0.60 2.33 3.08 -1.18 -3.23 114.38 114.89 3ii2 h ARG 152 Ca 0.39 0.04 0.17 0.00 0.07 0.00 0.00 59.98 60.65 3ii2 h ARG 152 Cb 0.38 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3ii2 h ARG 152 CO -0.26 -0.32 0.43 -0.22 -1.07 0.00 0.00 179.97 178.53 3ii2 h LYS 153 N -1.03 0.01 -0.01 0.04 1.63 -0.98 -3.52 116.57 112.71 3ii2 h LYS 153 Ca -0.06 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 3ii2 h LYS 153 Cb 0.58 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 3ii2 h LYS 153 CO 0.11 0.01 0.00 -0.89 -3.45 0.00 0.00 179.45 175.23