#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pi2 n ASP 3 N 0.00 -4.71 0.00 6.55 2.03 -1.26 -4.98 116.55 114.17 2pi2 n ASP 3 Ca 0.00 -0.77 0.06 0.00 0.52 0.00 0.00 54.79 54.60 2pi2 n ASP 3 Cb 0.00 -4.70 0.34 0.00 -0.72 0.00 0.00 41.12 36.05 2pi2 n ASP 3 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2pi2 n MET 4 N -3.73 0.95 0.24 -0.67 2.81 -1.26 -3.33 117.12 112.13 2pi2 n MET 4 Ca -0.15 0.00 0.16 0.00 -1.81 0.00 0.00 57.70 55.90 2pi2 n MET 4 Cb 0.63 -1.19 0.74 0.00 -0.71 0.00 0.00 33.22 32.69 2pi2 n MET 4 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 2pi2 h MET 5 N 0.00 0.00 -0.29 0.03 2.07 -2.00 -1.37 114.93 113.38 2pi2 h MET 5 Ca 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 2pi2 h MET 5 Cb 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.73 2pi2 h MET 5 CO 0.00 0.00 0.00 -0.25 1.07 0.00 0.00 176.91 177.73 2pi2 n ASP 6 N -2.74 3.21 -4.69 1.22 8.00 -1.21 -4.97 116.55 115.38 2pi2 n ASP 6 Ca -0.00 -1.94 -0.25 0.00 0.71 0.00 0.00 54.79 53.31 2pi2 n ASP 6 Cb 0.19 -0.18 -0.07 0.00 -0.02 0.00 0.00 41.12 41.04 2pi2 n ASP 6 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2pi2 s LEU 7 N -1.48 3.37 0.19 0.64 1.43 -0.52 -5.09 118.68 117.23 2pi2 s LEU 7 Ca 0.33 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 2pi2 s LEU 7 Cb 0.20 -1.96 -0.09 0.00 0.03 0.00 0.00 46.19 44.37 2pi2 s LEU 7 CO 0.29 0.04 1.36 -2.84 0.23 0.00 0.00 176.35 175.42 2pi2 s PRO 8 N -3.32 4.35 -0.14 1.29 0.02 -1.26 -4.99 135.00 130.94 2pi2 s PRO 8 Ca 0.30 2.11 0.01 0.00 0.02 0.00 0.00 61.00 63.44 2pi2 s PRO 8 Cb -0.08 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.25 2pi2 s PRO 8 CO 0.20 -0.33 -0.18 1.03 -0.33 0.00 0.00 177.00 177.39 2pi2 s ARG 9 N 0.10 3.16 0.08 5.54 0.52 -1.26 -4.68 118.95 122.40 2pi2 s ARG 9 Ca 0.59 -0.79 -0.30 0.00 -0.52 0.00 0.00 55.73 54.71 2pi2 s ARG 9 Cb -0.38 -2.52 -0.05 0.00 0.52 0.00 0.00 34.95 32.52 2pi2 s ARG 9 CO 0.37 0.06 1.02 -1.12 0.02 0.00 0.00 175.30 175.65 2pi2 s SER 10 N 0.68 7.37 -0.23 0.23 0.01 -0.93 -4.59 113.70 116.24 2pi2 s SER 10 Ca -0.09 1.82 -0.28 0.00 1.31 0.00 0.00 55.95 58.72 2pi2 s SER 10 Cb -0.16 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.49 2pi2 s SER 10 CO 0.02 -0.21 0.98 -0.13 0.41 0.00 0.00 173.24 174.31 2pi2 s ARG 11 N 0.42 4.24 0.35 12.44 0.52 -1.26 -0.31 118.95 135.35 2pi2 s ARG 11 Ca 0.51 1.24 0.04 0.00 -0.52 0.00 0.00 55.73 56.99 2pi2 s ARG 11 Cb -0.24 -3.64 -0.06 0.00 0.52 0.00 0.00 34.95 31.53 2pi2 s ARG 11 CO 0.30 -0.59 0.06 0.96 0.02 0.00 0.00 175.30 176.05 2pi2 s ILE 12 N 3.08 1.16 0.52 1.52 -4.36 -0.94 -4.94 121.20 117.24 2pi2 s ILE 12 Ca 0.41 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.82 2pi2 s ILE 12 Cb -0.15 -2.72 -0.00 0.00 1.25 0.00 0.00 42.46 40.83 2pi2 s ILE 12 CO 0.06 0.00 0.08 0.54 0.24 0.00 0.00 174.94 175.86 2pi2 s ASN 13 N -3.53 4.23 0.33 4.36 2.20 -1.26 -4.44 114.94 116.82 2pi2 s ASN 13 Ca 0.33 -1.58 0.05 0.00 -0.94 0.00 0.00 52.86 50.72 2pi2 s ASN 13 Cb 0.08 0.52 0.59 0.00 -2.00 0.00 0.00 41.25 40.43 2pi2 s ASN 13 CO 0.15 -0.91 1.85 0.00 -2.94 0.00 0.00 177.10 175.25 2pi2 h ALA 14 N 1.23 1.33 0.00 3.54 0.00 -1.89 -1.46 119.26 122.01 2pi2 h ALA 14 Ca -0.43 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2pi2 h ALA 14 Cb 1.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2pi2 h ALA 14 CO 0.71 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.82 2pi2 n GLY 15 N -0.76 -0.93 0.00 0.00 0.00 -1.26 -1.99 105.19 100.25 2pi2 n GLY 15 Ca 0.01 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.23 2pi2 n GLY 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2pi2 n MET 16 N -2.02 0.01 -0.21 1.61 2.81 -0.55 -4.51 117.12 114.26 2pi2 n MET 16 Ca 0.00 -0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.91 2pi2 n MET 16 Cb 0.10 -1.50 0.12 0.00 -0.71 0.00 0.00 33.22 31.23 2pi2 n MET 16 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2pi2 h LEU 17 N 0.00 0.07 -2.15 4.03 3.38 -1.43 -1.29 115.31 117.92 2pi2 h LEU 17 Ca 0.00 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2pi2 h LEU 17 Cb 0.51 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2pi2 h LEU 17 CO 0.00 0.04 -0.02 0.00 0.09 0.00 0.00 178.44 178.55 2pi2 h ALA 18 N 1.48 1.05 -0.01 1.53 0.00 -1.79 -1.55 119.26 119.98 2pi2 h ALA 18 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2pi2 h ALA 18 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2pi2 h ALA 18 CO -0.39 0.03 -0.51 1.04 0.00 0.00 0.00 179.25 179.42 2pi2 n GLN 19 N -3.19 0.53 -0.43 0.00 3.00 -0.52 -4.28 117.38 112.50 2pi2 n GLN 19 Ca -0.01 -0.37 0.06 0.00 -0.01 0.00 0.00 57.00 56.67 2pi2 n GLN 19 Cb 0.20 -1.49 0.19 0.00 0.00 0.00 0.00 30.24 29.14 2pi2 n GLN 19 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2pi2 n PHE 20 N -0.91 0.30 -1.64 1.08 3.01 -0.59 -5.05 117.46 113.65 2pi2 n PHE 20 Ca 0.08 -1.26 -0.48 0.00 1.01 0.00 0.00 57.45 56.80 2pi2 n PHE 20 Cb 0.37 -0.26 -0.05 0.00 -0.01 0.00 0.00 39.48 39.53 2pi2 n PHE 20 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2pi2 n ILE 21 N -1.16 0.08 -1.07 4.37 2.08 -1.20 -0.91 119.36 121.55 2pi2 n ILE 21 Ca 0.21 -0.02 -0.03 0.00 0.56 0.00 0.00 62.75 63.47 2pi2 n ILE 21 Cb 0.76 -1.32 -0.01 0.00 -0.75 0.00 0.00 39.64 38.32 2pi2 n ILE 21 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2pi2 n ASP 22 N 3.05 -4.65 -4.88 4.38 2.03 0.51 -4.95 116.55 112.04 2pi2 n ASP 22 Ca 0.17 0.06 -0.34 0.00 0.52 0.00 0.00 54.79 55.20 2pi2 n ASP 22 Cb 0.26 -2.37 -0.05 0.00 -0.72 0.00 0.00 41.12 38.24 2pi2 n ASP 22 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2pi2 s LYS 23 N -1.53 3.36 0.14 -0.67 -0.14 -0.09 -4.77 119.74 116.05 2pi2 s LYS 23 Ca 0.00 -0.33 -0.31 0.00 -1.36 0.00 0.00 55.97 53.97 2pi2 s LYS 23 Cb 0.00 -3.06 -0.09 0.00 -1.68 0.00 0.00 37.83 33.00 2pi2 s LYS 23 CO 0.00 0.68 1.42 -2.14 -0.76 0.00 0.00 175.35 174.56 2pi2 s PRO 24 N -1.77 4.30 0.13 -1.68 0.02 -1.26 -1.43 135.00 133.31 2pi2 s PRO 24 Ca 0.25 2.15 0.01 0.00 0.02 0.00 0.00 61.00 63.42 2pi2 s PRO 24 Cb -0.12 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.14 2pi2 s PRO 24 CO 0.16 -0.46 -0.01 0.14 -0.33 0.00 0.00 177.00 176.50 2pi2 s VAL 25 N 0.96 0.51 -0.16 3.83 -7.23 0.56 -2.19 120.40 116.68 2pi2 s VAL 25 Ca 0.65 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 2pi2 s VAL 25 Cb -0.39 -1.94 0.04 0.00 0.56 0.00 0.00 36.38 34.65 2pi2 s VAL 25 CO 0.32 -0.62 -0.09 0.00 -0.31 0.00 0.00 175.10 174.40 2pi2 s PHE 27 N 1.55 2.98 -0.14 0.00 5.36 0.74 -2.22 117.98 126.25 2pi2 s PHE 27 Ca 0.02 -1.31 -0.06 0.00 -0.96 0.00 0.00 56.93 54.61 2pi2 s PHE 27 Cb -0.15 -2.06 -0.04 0.00 -0.34 0.00 0.00 43.02 40.43 2pi2 s PHE 27 CO -0.08 -0.67 0.08 0.08 -1.46 0.00 0.00 175.22 173.17 2pi2 s VAL 28 N 1.39 4.99 0.09 3.12 1.01 -1.26 -0.88 120.40 128.85 2pi2 s VAL 28 Ca 0.03 0.02 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 2pi2 s VAL 28 Cb -0.15 -3.19 0.09 0.00 0.00 0.00 0.00 36.38 33.12 2pi2 s VAL 28 CO -0.05 0.55 1.09 -0.83 0.00 0.00 0.00 175.10 175.85 2pi2 s GLY 29 N -0.39 -0.30 -0.00 4.51 0.00 -0.91 -4.61 107.32 105.63 2pi2 s GLY 29 Ca 0.10 0.35 -0.22 0.00 0.00 0.00 0.00 44.72 44.95 2pi2 s GLY 29 CO 0.02 0.05 0.66 -1.60 0.00 0.00 0.00 173.10 172.23 2pi2 s ARG 30 N -2.94 4.39 -0.32 2.90 3.52 0.38 -0.79 118.95 126.09 2pi2 s ARG 30 Ca 0.13 0.86 -0.28 0.00 -0.13 0.00 0.00 55.73 56.31 2pi2 s ARG 30 Cb 0.01 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 30.01 2pi2 s ARG 30 CO -0.00 0.29 1.92 -1.17 -0.81 0.00 0.00 175.30 175.52 2pi2 s LEU 31 N 0.03 3.48 -0.14 -0.88 2.96 0.34 -1.06 118.68 123.41 2pi2 s LEU 31 Ca 0.34 1.40 -0.17 0.00 -0.22 0.00 0.00 54.13 55.48 2pi2 s LEU 31 Cb -0.19 -3.45 -0.15 0.00 0.50 0.00 0.00 46.19 42.90 2pi2 s LEU 31 CO 0.19 -1.82 0.36 -0.33 -1.32 0.00 0.00 176.35 173.42 2pi2 h GLU 32 N 13.64 0.00 -3.01 1.98 4.39 -1.53 -3.42 114.58 126.62 2pi2 h GLU 32 Ca -0.35 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.35 2pi2 h GLU 32 Cb 1.19 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.73 2pi2 h GLU 32 CO 1.02 0.60 0.21 -1.59 -1.16 0.00 0.00 179.01 178.09 2pi2 s LYS 33 N -2.05 1.38 -0.15 2.33 -2.85 -1.24 -5.00 119.74 112.16 2pi2 s LYS 33 Ca -0.14 -0.58 -0.02 0.00 -1.00 0.00 0.00 55.97 54.22 2pi2 s LYS 33 Cb -0.00 0.59 -0.02 0.00 -2.06 0.00 0.00 37.83 36.34 2pi2 s LYS 33 CO 0.42 -0.61 -0.08 0.42 0.10 0.00 0.00 175.35 175.61 2pi2 s ILE 34 N -3.79 3.52 0.51 3.79 1.01 -1.26 -1.52 121.20 123.46 2pi2 s ILE 34 Ca 0.03 -0.49 -0.23 0.00 0.00 0.00 0.00 60.65 59.96 2pi2 s ILE 34 Cb -0.02 -2.52 -0.06 0.00 0.01 0.00 0.00 42.46 39.87 2pi2 s ILE 34 CO -0.09 0.50 1.34 1.57 0.00 0.00 0.00 174.94 178.27 2pi2 n HIS 35 N 3.59 2.30 -0.33 3.97 -0.00 0.70 -4.88 115.22 120.57 2pi2 n HIS 35 Ca -0.18 0.44 0.22 0.00 -0.00 0.00 0.00 57.72 58.21 2pi2 n HIS 35 Cb 0.52 -2.38 0.45 0.00 -0.00 0.00 0.00 29.99 28.58 2pi2 n HIS 35 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2pi2 h PRO 36 N 1.68 0.35 0.00 1.57 0.11 -2.00 0.22 132.00 133.93 2pi2 h PRO 36 Ca -0.50 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 2pi2 h PRO 36 Cb 1.30 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2pi2 h PRO 36 CO 0.58 0.23 -0.07 1.79 -0.21 0.00 0.00 178.00 180.32 2pi2 h THR 37 N 0.36 0.38 0.00 -1.15 1.35 -1.93 -3.46 112.91 108.46 2pi2 h THR 37 Ca 0.71 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 2pi2 h THR 37 Cb 1.56 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 2pi2 h THR 37 CO -0.59 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.36 2pi2 n GLY 38 N -0.71 0.48 0.75 5.82 0.00 0.77 -4.78 105.19 107.52 2pi2 n GLY 38 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 2pi2 n GLY 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pi2 n LYS 39 N -2.37 2.92 -3.63 1.61 5.02 -1.26 -0.15 118.16 120.29 2pi2 n LYS 39 Ca 0.00 -2.37 -0.12 0.00 -2.02 0.00 0.00 58.31 53.80 2pi2 n LYS 39 Cb 0.06 -1.51 -0.07 0.00 -0.02 0.00 0.00 35.03 33.50 2pi2 n LYS 39 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2pi2 s MET 40 N -1.73 0.79 0.12 1.97 1.75 -1.26 -0.92 119.30 120.02 2pi2 s MET 40 Ca 0.31 1.06 -0.03 0.00 -1.25 0.00 0.00 55.69 55.78 2pi2 s MET 40 Cb 0.21 0.33 -0.03 0.00 2.84 0.00 0.00 34.83 38.17 2pi2 s MET 40 CO 0.13 -0.11 0.08 -0.59 -0.65 0.00 0.00 175.02 173.88 2pi2 s PHE 41 N 0.75 0.67 -0.12 4.11 -0.12 0.19 -0.21 117.98 123.25 2pi2 s PHE 41 Ca -0.03 -1.08 0.00 0.00 -0.05 0.00 0.00 56.93 55.77 2pi2 s PHE 41 Cb -0.05 -0.37 -0.02 0.00 -0.63 0.00 0.00 43.02 41.96 2pi2 s PHE 41 CO -0.05 -0.52 -0.13 0.42 -0.05 0.00 0.00 175.22 174.88 2pi2 s ILE 42 N -4.00 3.03 -0.06 -4.49 -1.09 -0.58 -0.05 121.20 113.97 2pi2 s ILE 42 Ca 0.18 -0.68 0.06 0.00 -2.23 0.00 0.00 60.65 57.98 2pi2 s ILE 42 Cb 0.07 -2.26 -0.01 0.00 -1.58 0.00 0.00 42.46 38.68 2pi2 s ILE 42 CO -0.02 0.53 -0.24 -0.76 -1.23 0.00 0.00 174.94 173.22 2pi2 s LEU 43 N 0.19 2.12 -0.16 2.97 1.43 -0.46 -1.27 118.68 123.50 2pi2 s LEU 43 Ca -0.08 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.45 2pi2 s LEU 43 Cb -0.15 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 2pi2 s LEU 43 CO 0.05 0.25 0.10 -0.94 0.23 0.00 0.00 176.35 176.04 2pi2 s SER 44 N -0.17 5.98 0.93 2.29 1.04 -0.22 -0.05 113.70 123.50 2pi2 s SER 44 Ca -0.03 0.25 -0.07 0.00 0.48 0.00 0.00 55.95 56.57 2pi2 s SER 44 Cb -0.14 -1.98 0.11 0.00 0.10 0.00 0.00 66.02 64.12 2pi2 s SER 44 CO 0.04 0.27 0.68 -0.90 0.98 0.00 0.00 173.24 174.30 2pi2 n ASP 45 N 2.93 0.16 0.00 7.02 5.68 0.39 -0.47 116.55 132.25 2pi2 n ASP 45 Ca -0.18 -1.31 0.11 0.00 -0.50 0.00 0.00 54.79 52.91 2pi2 n ASP 45 Cb 0.53 -0.51 0.54 0.00 -1.14 0.00 0.00 41.12 40.54 2pi2 n ASP 45 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pi2 n GLY 46 N 0.45 -1.00 1.10 6.12 0.00 -1.26 -1.22 105.19 109.39 2pi2 n GLY 46 Ca 0.09 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.11 2pi2 n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pi2 n GLU 47 N -1.28 2.49 -1.14 1.61 1.02 -1.26 -4.36 120.64 117.71 2pi2 n GLU 47 Ca 0.10 -2.29 -0.04 0.00 -0.02 0.00 0.00 57.16 54.91 2pi2 n GLU 47 Cb 0.17 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.09 2pi2 n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pi2 n GLY 48 N 1.37 0.65 3.73 0.62 0.00 -0.36 -5.03 105.19 106.17 2pi2 n GLY 48 Ca 0.19 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 2pi2 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pi2 s LYS 49 N -2.38 3.06 0.09 1.61 1.02 -1.26 -4.81 119.74 117.08 2pi2 s LYS 49 Ca 0.00 -0.38 -0.17 0.00 0.02 0.00 0.00 55.97 55.45 2pi2 s LYS 49 Cb 0.00 -2.86 -0.07 0.00 -0.52 0.00 0.00 37.83 34.38 2pi2 s LYS 49 CO 0.00 0.71 0.54 -0.80 -0.92 0.00 0.00 175.35 174.88 2pi2 s ASN 50 N -1.03 6.93 -0.04 2.83 0.01 -1.26 -0.46 114.94 121.92 2pi2 s ASN 50 Ca 0.15 1.14 0.06 0.00 -0.71 0.00 0.00 52.86 53.50 2pi2 s ASN 50 Cb -0.12 -2.31 -0.01 0.00 0.41 0.00 0.00 41.25 39.22 2pi2 s ASN 50 CO 0.04 0.21 -0.22 -0.83 -1.51 0.00 0.00 177.10 174.80 2pi2 s GLY 51 N -1.36 1.11 -0.15 0.66 0.00 0.93 -4.87 107.32 103.65 2pi2 s GLY 51 Ca 0.32 -0.91 -0.19 0.00 0.00 0.00 0.00 44.72 43.95 2pi2 s GLY 51 CO 0.18 -0.60 0.51 -1.59 0.00 0.00 0.00 173.10 171.61 2pi2 s THR 52 N -0.20 5.14 -0.20 0.90 2.01 -1.26 -1.36 115.64 120.66 2pi2 s THR 52 Ca -0.00 0.99 -0.03 0.00 0.31 0.00 0.00 61.69 62.96 2pi2 s THR 52 Cb -0.11 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 2pi2 s THR 52 CO 0.02 0.25 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.51 2pi2 s ILE 53 N 1.13 3.40 0.07 1.82 -1.09 0.93 -0.83 121.20 126.62 2pi2 s ILE 53 Ca 0.26 -0.50 0.04 0.00 -2.23 0.00 0.00 60.65 58.23 2pi2 s ILE 53 Cb -0.15 -2.52 -0.04 0.00 -1.58 0.00 0.00 42.46 38.16 2pi2 s ILE 53 CO 0.10 0.44 -0.03 -1.61 -1.23 0.00 0.00 174.94 172.62 2pi2 s GLU 54 N 1.21 2.51 0.11 2.79 2.02 0.14 -0.63 118.70 126.85 2pi2 s GLU 54 Ca 0.03 -0.82 0.08 0.00 0.02 0.00 0.00 54.97 54.28 2pi2 s GLU 54 Cb -0.14 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.54 2pi2 s GLU 54 CO -0.01 0.56 -0.20 -0.51 0.02 0.00 0.00 175.26 175.12 2pi2 s LEU 55 N -2.05 2.33 0.09 1.80 1.43 -0.09 -0.89 118.68 121.30 2pi2 s LEU 55 Ca 0.23 -0.72 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 2pi2 s LEU 55 Cb -0.11 -0.84 -0.22 0.00 0.03 0.00 0.00 46.19 45.05 2pi2 s LEU 55 CO 0.15 0.02 1.17 0.24 0.23 0.00 0.00 176.35 178.16 2pi2 h MET 56 N 3.90 0.02 -6.67 1.70 2.86 -1.86 -3.46 114.93 111.42 2pi2 h MET 56 Ca -0.45 -0.03 -0.66 0.00 -2.06 0.00 0.00 59.70 56.51 2pi2 h MET 56 Cb 1.19 0.01 -0.23 0.00 0.06 0.00 0.00 31.60 32.63 2pi2 h MET 56 CO 0.42 0.93 -0.86 -1.21 1.06 0.00 0.00 176.91 177.25 2pi2 s GLU 57 N -2.69 1.41 0.79 1.72 0.41 -1.26 -5.11 118.70 113.98 2pi2 s GLU 57 Ca -0.00 -1.24 -0.14 0.00 -0.41 0.00 0.00 54.97 53.18 2pi2 s GLU 57 Cb 0.09 -1.78 0.07 0.00 -1.78 0.00 0.00 34.13 30.73 2pi2 s GLU 57 CO 0.82 0.43 1.22 -2.30 -0.49 0.00 0.00 175.26 174.94 2pi2 n PRO 58 N 1.16 0.29 -1.86 0.39 -0.02 -1.26 -4.76 135.00 128.93 2pi2 n PRO 58 Ca -0.18 0.17 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 2pi2 n PRO 58 Cb 0.53 -2.45 -0.00 0.00 -0.02 0.00 0.00 33.50 31.56 2pi2 n PRO 58 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pi2 s LEU 59 N -5.54 4.29 0.00 2.45 1.43 0.78 -4.93 118.68 117.16 2pi2 s LEU 59 Ca 0.75 2.95 0.21 0.00 -1.03 0.00 0.00 54.13 57.01 2pi2 s LEU 59 Cb -0.30 -3.73 0.57 0.00 0.03 0.00 0.00 46.19 42.76 2pi2 s LEU 59 CO 0.49 -0.88 1.48 0.47 0.23 0.00 0.00 176.35 178.15 2pi2 n ASP 60 N 0.36 3.50 -3.47 2.29 8.00 -1.26 -4.95 116.55 121.02 2pi2 n ASP 60 Ca 0.02 -1.99 -0.10 0.00 0.71 0.00 0.00 54.79 53.42 2pi2 n ASP 60 Cb 0.40 -0.41 -0.02 0.00 -0.02 0.00 0.00 41.12 41.07 2pi2 n ASP 60 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2pi2 s GLU 61 N -1.17 1.01 0.31 -1.24 -1.05 -1.26 -5.14 118.70 110.16 2pi2 s GLU 61 Ca 0.44 -0.35 -0.28 0.00 -0.15 0.00 0.00 54.97 54.62 2pi2 s GLU 61 Cb 0.23 0.46 -0.09 0.00 -0.44 0.00 0.00 34.13 34.29 2pi2 s GLU 61 CO 0.30 -0.44 1.09 -2.00 0.95 0.00 0.00 175.26 175.16 2pi2 s GLU 62 N -3.31 4.50 0.20 -4.83 2.12 -1.26 -5.06 118.70 111.05 2pi2 s GLU 62 Ca 0.03 1.73 0.10 0.00 0.36 0.00 0.00 54.97 57.19 2pi2 s GLU 62 Cb -0.01 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.33 2pi2 s GLU 62 CO -0.10 0.11 -0.17 0.96 -0.54 0.00 0.00 175.26 175.52 2pi2 s ILE 63 N -1.30 2.73 0.24 -3.70 -4.36 -1.26 -5.16 121.20 108.40 2pi2 s ILE 63 Ca 0.48 -1.91 -0.22 0.00 -0.26 0.00 0.00 60.65 58.74 2pi2 s ILE 63 Cb -0.29 -2.34 0.03 0.00 1.25 0.00 0.00 42.46 41.11 2pi2 s ILE 63 CO 0.37 -0.15 0.75 -0.94 0.24 0.00 0.00 174.94 175.22 2pi2 s SER 64 N -2.84 -0.28 0.39 4.36 1.04 -1.26 -5.02 113.70 110.10 2pi2 s SER 64 Ca 0.23 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2pi2 s SER 64 Cb -0.08 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2pi2 s SER 64 CO 0.13 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.73 2pi2 n GLY 65 N -0.45 1.25 3.70 7.32 0.00 -1.26 -4.66 105.19 111.09 2pi2 n GLY 65 Ca -0.06 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 2pi2 n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pi2 s ILE 66 N 0.00 5.04 -0.02 -0.61 -1.09 -1.26 -0.50 121.20 122.76 2pi2 s ILE 66 Ca 0.00 1.36 0.03 0.00 -2.23 0.00 0.00 60.65 59.81 2pi2 s ILE 66 Cb 0.00 -4.01 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 2pi2 s ILE 66 CO 0.00 0.22 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.14 2pi2 s VAL 67 N 1.09 0.82 -0.21 2.92 1.01 0.03 -0.98 120.40 125.08 2pi2 s VAL 67 Ca 0.35 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 2pi2 s VAL 67 Cb -0.17 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 2pi2 s VAL 67 CO 0.15 0.25 -0.03 -0.70 0.00 0.00 0.00 175.10 174.77 2pi2 s GLU 68 N 0.11 3.45 -0.15 2.72 2.12 0.74 -2.13 118.70 125.57 2pi2 s GLU 68 Ca -0.02 -0.60 -0.04 0.00 0.36 0.00 0.00 54.97 54.67 2pi2 s GLU 68 Cb -0.08 -3.01 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 2pi2 s GLU 68 CO 0.00 -0.11 -0.01 0.08 -0.54 0.00 0.00 175.26 174.69 2pi2 s VAL 69 N 1.26 4.17 -0.15 3.70 1.01 -0.06 -1.19 120.40 129.14 2pi2 s VAL 69 Ca 0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 2pi2 s VAL 69 Cb -0.14 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2pi2 s VAL 69 CO -0.01 0.50 0.05 -0.69 0.00 0.00 0.00 175.10 174.96 2pi2 s VAL 70 N 0.17 4.72 0.00 2.92 1.01 -0.18 -0.19 120.40 128.86 2pi2 s VAL 70 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.91 2pi2 s VAL 70 Cb -0.13 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.16 2pi2 s VAL 70 CO 0.02 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2pi2 n GLY 71 N 3.05 0.98 3.41 4.51 0.00 -0.80 -0.35 105.19 115.99 2pi2 n GLY 71 Ca -0.17 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 2pi2 n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pi2 s ARG 72 N -1.96 2.82 0.08 1.61 3.52 -0.46 -0.33 118.95 124.23 2pi2 s ARG 72 Ca 0.00 -0.72 -0.31 0.00 -0.13 0.00 0.00 55.73 54.57 2pi2 s ARG 72 Cb 0.00 -2.43 -0.07 0.00 -1.56 0.00 0.00 34.95 30.88 2pi2 s ARG 72 CO 0.00 0.44 1.43 0.08 -0.81 0.00 0.00 175.30 176.45 2pi2 s VAL 73 N -0.27 3.37 0.81 7.11 1.01 -0.51 -1.07 120.40 130.85 2pi2 s VAL 73 Ca 0.01 0.91 -0.11 0.00 0.00 0.00 0.00 61.98 62.80 2pi2 s VAL 73 Cb -0.13 -3.58 0.10 0.00 0.00 0.00 0.00 36.38 32.77 2pi2 s VAL 73 CO 0.03 0.04 1.15 0.42 0.00 0.00 0.00 175.10 176.74 2pi2 s THR 74 N 1.70 2.09 0.55 3.92 -4.23 0.84 -0.36 115.64 120.15 2pi2 s THR 74 Ca 0.66 -0.12 0.25 0.00 -1.18 0.00 0.00 61.69 61.30 2pi2 s THR 74 Cb -0.36 -2.97 0.37 0.00 1.34 0.00 0.00 72.50 70.87 2pi2 s THR 74 CO 0.29 0.00 2.04 0.00 -0.54 0.00 0.00 174.62 176.41 2pi2 h ALA 75 N -1.02 2.22 -0.43 3.99 0.00 -1.95 -1.28 119.26 120.80 2pi2 h ALA 75 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2pi2 h ALA 75 Cb 1.30 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2pi2 h ALA 75 CO 0.57 -0.46 0.00 1.63 0.00 0.00 0.00 179.25 180.98 2pi2 n LYS 76 N -4.22 2.01 -3.00 0.00 5.02 -1.26 -4.92 118.16 111.79 2pi2 n LYS 76 Ca 0.05 -1.55 -0.22 0.00 -2.02 0.00 0.00 58.31 54.57 2pi2 n LYS 76 Cb 0.46 -1.34 0.03 0.00 -0.02 0.00 0.00 35.03 34.16 2pi2 n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pi2 n ALA 77 N 0.75 -0.96 -2.24 7.82 0.00 -0.48 -5.03 120.51 120.37 2pi2 n ALA 77 Ca 0.14 0.28 -0.23 0.00 0.00 0.00 0.00 53.44 53.63 2pi2 n ALA 77 Cb 0.37 -3.82 0.02 0.00 0.00 0.00 0.00 19.45 16.01 2pi2 n ALA 77 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2pi2 s THR 78 N -3.17 1.88 -0.17 0.00 -4.23 -1.26 -4.74 115.64 103.95 2pi2 s THR 78 Ca 0.29 -1.29 0.01 0.00 -1.18 0.00 0.00 61.69 59.52 2pi2 s THR 78 Cb -0.13 -2.17 0.01 0.00 1.34 0.00 0.00 72.50 71.55 2pi2 s THR 78 CO 0.36 0.00 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.63 2pi2 s ILE 79 N -2.72 2.32 -0.61 2.99 1.01 -0.01 -0.11 121.20 124.07 2pi2 s ILE 79 Ca 0.46 -0.87 -0.27 0.00 0.00 0.00 0.00 60.65 59.97 2pi2 s ILE 79 Cb -0.04 -1.98 0.04 0.00 0.01 0.00 0.00 42.46 40.49 2pi2 s ILE 79 CO 0.29 0.52 1.14 -0.22 0.00 0.00 0.00 174.94 176.67 2pi2 s LEU 80 N 1.09 3.60 -0.01 2.97 2.96 -0.23 0.24 118.68 129.30 2pi2 s LEU 80 Ca -0.00 -0.19 -0.30 0.00 -0.22 0.00 0.00 54.13 53.41 2pi2 s LEU 80 Cb -0.14 -2.91 -0.03 0.00 0.50 0.00 0.00 46.19 43.61 2pi2 s LEU 80 CO -0.07 -1.50 1.04 0.00 -1.32 0.00 0.00 176.35 174.50 2pi2 n THR 82 N 4.03 0.00 -3.54 0.00 -2.24 0.53 -4.66 114.28 108.40 2pi2 n THR 82 Ca 0.07 -0.30 -0.10 0.00 -2.27 0.00 0.00 64.05 61.45 2pi2 n THR 82 Cb 0.50 0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 69.07 2pi2 n THR 82 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2pi2 s SER 83 N -3.44 -0.45 0.09 3.42 1.04 -1.08 -5.02 113.70 108.25 2pi2 s SER 83 Ca -0.03 -0.14 -0.19 0.00 0.48 0.00 0.00 55.95 56.08 2pi2 s SER 83 Cb 0.10 0.57 0.04 0.00 0.10 0.00 0.00 66.02 66.84 2pi2 s SER 83 CO 0.64 -0.97 0.45 -0.72 0.98 0.00 0.00 173.24 173.62 2pi2 s TYR 84 N -3.63 -0.30 -0.04 5.02 -0.85 -1.26 -1.01 117.35 115.28 2pi2 s TYR 84 Ca 0.04 0.16 0.02 0.00 -0.52 0.00 0.00 57.07 56.77 2pi2 s TYR 84 Cb -0.02 0.29 0.02 0.00 0.38 0.00 0.00 41.96 42.63 2pi2 s TYR 84 CO -0.08 -0.67 -0.06 0.08 -1.52 0.00 0.00 175.55 173.31 2pi2 s VAL 85 N -3.12 0.61 -0.05 -3.49 1.01 -0.33 -4.98 120.40 110.06 2pi2 s VAL 85 Ca -0.01 -0.21 -0.25 0.00 0.00 0.00 0.00 61.98 61.51 2pi2 s VAL 85 Cb 0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 2pi2 s VAL 85 CO -0.07 0.23 0.76 -1.10 0.00 0.00 0.00 175.10 174.91 2pi2 s GLN 86 N 0.64 4.46 -0.05 2.72 -0.21 -1.26 -0.18 119.66 125.78 2pi2 s GLN 86 Ca -0.09 0.99 -0.30 0.00 0.02 0.00 0.00 55.36 55.98 2pi2 s GLN 86 Cb -0.12 -3.44 -0.03 0.00 1.00 0.00 0.00 33.01 30.41 2pi2 s GLN 86 CO 0.01 0.06 1.20 -0.06 -2.12 0.00 0.00 175.29 174.37 2pi2 s PHE 87 N 0.78 3.20 0.07 0.91 0.40 -0.15 -4.97 117.98 118.22 2pi2 s PHE 87 Ca 0.40 1.22 -0.31 0.00 -0.60 0.00 0.00 56.93 57.65 2pi2 s PHE 87 Cb -0.19 -3.42 -0.07 0.00 0.51 0.00 0.00 43.02 39.86 2pi2 s PHE 87 CO 0.20 -1.29 1.34 0.15 0.70 0.00 0.00 175.22 176.33 2pi2 s LYS 88 N 2.18 4.34 -0.11 0.44 1.02 -1.26 -4.60 119.74 121.74 2pi2 s LYS 88 Ca 0.56 1.97 0.16 0.00 0.02 0.00 0.00 55.97 58.67 2pi2 s LYS 88 Cb -0.25 -3.35 0.37 0.00 -0.52 0.00 0.00 37.83 34.08 2pi2 s LYS 88 CO 0.22 -0.42 1.18 0.39 -0.92 0.00 0.00 175.35 175.79 2pi2 n GLU 89 N 4.29 0.87 0.00 1.68 1.02 -1.26 -4.87 120.64 122.38 2pi2 n GLU 89 Ca 0.11 -2.58 0.10 0.00 -0.02 0.00 0.00 57.16 54.78 2pi2 n GLU 89 Cb 0.44 -0.96 0.49 0.00 -0.02 0.00 0.00 31.44 31.39 2pi2 n GLU 89 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2pi2 n ASP 90 N -0.51 0.00 0.00 1.62 5.68 -1.26 -3.41 116.55 118.67 2pi2 n ASP 90 Ca 0.13 0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.62 2pi2 n ASP 90 Cb 0.84 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 2pi2 n ASP 90 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2pi2 n SER 91 N -1.38 2.19 -3.60 -1.12 3.41 -1.26 -5.07 113.62 106.79 2pi2 n SER 91 Ca 0.08 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.52 2pi2 n SER 91 Cb 0.20 0.35 -0.14 0.00 -0.26 0.00 0.00 64.21 64.35 2pi2 n SER 91 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2pi2 s HIS 92 N -1.11 -0.25 0.33 7.33 3.76 -1.22 -5.13 115.29 119.00 2pi2 s HIS 92 Ca 0.00 0.50 -0.29 0.00 -0.15 0.00 0.00 55.06 55.12 2pi2 s HIS 92 Cb 0.00 -0.27 -0.10 0.00 1.11 0.00 0.00 32.58 33.31 2pi2 s HIS 92 CO 0.00 -0.42 1.36 -2.14 -0.85 0.00 0.00 174.74 172.69 2pi2 s PRO 93 N 2.33 4.29 -0.04 8.40 0.02 -1.26 -4.48 135.00 144.25 2pi2 s PRO 93 Ca 0.04 2.31 -0.26 0.00 0.02 0.00 0.00 61.00 63.11 2pi2 s PRO 93 Cb -0.14 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.30 2pi2 s PRO 93 CO -0.09 -0.29 0.81 0.12 -0.33 0.00 0.00 177.00 177.22 2pi2 s PHE 94 N -1.01 3.60 -0.64 6.54 5.36 -1.26 -5.00 117.98 125.58 2pi2 s PHE 94 Ca 0.51 1.42 -0.23 0.00 -0.96 0.00 0.00 56.93 57.67 2pi2 s PHE 94 Cb -0.42 -2.93 0.06 0.00 -0.34 0.00 0.00 43.02 39.39 2pi2 s PHE 94 CO 0.54 0.04 0.98 0.34 -1.46 0.00 0.00 175.22 175.67 2pi2 s ASP 95 N 0.89 6.21 0.12 6.13 -1.08 -1.26 -4.87 116.67 122.81 2pi2 s ASP 95 Ca 0.43 -0.80 0.05 0.00 -0.52 0.00 0.00 52.55 51.70 2pi2 s ASP 95 Cb -0.19 -2.43 -0.19 0.00 -1.46 0.00 0.00 42.92 38.65 2pi2 s ASP 95 CO 0.22 -1.43 1.27 0.25 0.52 0.00 0.00 175.17 176.00 2pi2 h LEU 96 N 11.41 0.09 -0.70 -1.34 5.85 -1.95 -2.33 115.31 126.34 2pi2 h LEU 96 Ca -0.28 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.35 2pi2 h LEU 96 Cb 1.07 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 2pi2 h LEU 96 CO 1.17 1.05 0.46 1.23 -0.34 0.00 0.00 178.44 182.01 2pi2 h GLY 97 N 2.63 0.99 0.90 3.75 0.00 -1.90 -0.55 103.07 108.89 2pi2 h GLY 97 Ca -0.03 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 2pi2 h GLY 97 CO 0.14 0.37 -0.07 -2.00 0.00 0.00 0.00 176.54 174.98 2pi2 h LEU 98 N 0.95 0.59 -0.55 3.11 5.85 -1.91 -2.65 115.31 120.70 2pi2 h LEU 98 Ca 0.26 -0.36 0.10 0.00 0.84 0.00 0.00 57.88 58.72 2pi2 h LEU 98 Cb -0.10 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.68 2pi2 h LEU 98 CO -0.05 0.82 0.08 0.22 -0.34 0.00 0.00 178.44 179.17 2pi2 h TYR 99 N 0.36 0.12 -0.84 1.25 3.20 -1.26 -1.45 116.97 118.35 2pi2 h TYR 99 Ca 0.08 0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.09 2pi2 h TYR 99 Cb 0.56 0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.78 2pi2 h TYR 99 CO 0.05 -0.05 0.47 -0.97 -1.64 0.00 0.00 178.16 176.02 2pi2 h ASN 100 N 0.21 0.65 -0.77 -2.11 -1.24 -0.97 -0.27 115.58 111.08 2pi2 h ASN 100 Ca 0.29 0.06 -0.02 0.00 0.71 0.00 0.00 56.30 57.34 2pi2 h ASN 100 Cb 0.42 -0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.37 2pi2 h ASN 100 CO -0.40 0.35 0.42 -0.33 -1.29 0.00 0.00 177.43 176.18 2pi2 h GLU 101 N 0.76 1.08 -0.57 6.67 4.39 -1.03 -2.02 114.58 123.86 2pi2 h GLU 101 Ca 0.42 -0.13 0.06 0.00 0.34 0.00 0.00 59.36 60.06 2pi2 h GLU 101 Cb 0.45 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 2pi2 h GLU 101 CO -0.28 0.80 0.27 0.00 -1.16 0.00 0.00 179.01 178.64 2pi2 h ALA 102 N 1.22 0.73 -0.49 3.43 0.00 -0.11 -1.67 119.26 122.36 2pi2 h ALA 102 Ca 0.27 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.28 2pi2 h ALA 102 Cb 0.04 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2pi2 h ALA 102 CO -0.04 -0.09 0.18 0.28 0.00 0.00 0.00 179.25 179.58 2pi2 h VAL 103 N 0.51 0.85 -0.88 0.00 2.07 -0.75 0.97 116.25 119.03 2pi2 h VAL 103 Ca 0.26 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 2pi2 h VAL 103 Cb 0.21 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 2pi2 h VAL 103 CO -0.20 0.07 0.47 0.11 0.02 0.00 0.00 177.57 178.03 2pi2 h LYS 104 N 0.36 1.23 -0.37 1.57 1.57 -0.99 -2.55 116.57 117.39 2pi2 h LYS 104 Ca 0.23 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2pi2 h LYS 104 Cb 0.24 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2pi2 h LYS 104 CO -0.23 0.91 0.01 0.82 -0.57 0.00 0.00 179.45 180.39 2pi2 h ILE 105 N 1.23 1.26 -0.59 1.86 2.04 -0.84 -1.40 117.51 121.07 2pi2 h ILE 105 Ca 0.31 -0.97 0.12 0.00 1.00 0.00 0.00 64.86 65.32 2pi2 h ILE 105 Cb 0.04 1.15 -0.10 0.00 -0.74 0.00 0.00 36.82 37.17 2pi2 h ILE 105 CO -0.05 0.32 0.00 0.40 0.00 0.00 0.00 178.15 178.83 2pi2 h ILE 106 N 0.48 0.52 0.00 -0.67 2.04 -0.63 -1.09 117.51 118.16 2pi2 h ILE 106 Ca 0.11 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.87 2pi2 h ILE 106 Cb 0.45 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2pi2 h ILE 106 CO 0.02 0.02 -0.27 0.45 0.00 0.00 0.00 178.15 178.37 2pi2 h HIS 107 N 0.12 0.00 0.00 1.37 3.86 -1.10 -3.09 115.15 116.30 2pi2 h HIS 107 Ca 0.31 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.42 2pi2 h HIS 107 Cb 0.49 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.94 2pi2 h HIS 107 CO -0.36 0.27 -0.67 -0.44 0.86 0.00 0.00 177.93 177.60 2pi2 h ASP 108 N 0.00 0.00 -2.08 2.45 3.32 -0.72 -3.39 116.42 116.00 2pi2 h ASP 108 Ca -0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.49 2pi2 h ASP 108 Cb 0.98 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.11 2pi2 h ASP 108 CO 0.04 0.43 -0.81 0.49 -1.72 0.00 0.00 179.24 177.66 2pi2 n PHE 109 N -3.10 2.93 0.28 4.55 3.01 -0.46 -4.90 117.46 119.77 2pi2 n PHE 109 Ca -0.00 -3.81 0.14 0.00 1.01 0.00 0.00 57.45 54.79 2pi2 n PHE 109 Cb 0.72 -0.43 0.87 0.00 -0.01 0.00 0.00 39.48 40.63 2pi2 n PHE 109 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2pi2 h PRO 110 N 2.94 0.00 0.00 -1.08 0.13 -1.75 -0.42 132.00 131.82 2pi2 h PRO 110 Ca 0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 2pi2 h PRO 110 Cb 0.69 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 2pi2 h PRO 110 CO 0.73 0.00 -0.03 -0.56 -0.23 0.00 0.00 178.00 177.91 2pi2 h GLN 111 N 0.00 0.00 -0.09 0.86 -0.00 -1.91 -2.63 115.11 111.35 2pi2 h GLN 111 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2pi2 h GLN 111 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.52 2pi2 h GLN 111 CO -0.00 0.03 0.00 1.19 -0.00 0.00 0.00 178.83 180.05 2pi2 n PHE 112 N -3.29 0.10 -3.01 0.06 0.99 -0.19 -4.70 117.46 107.42 2pi2 n PHE 112 Ca -0.02 -0.11 -0.15 0.00 -0.00 0.00 0.00 57.45 57.17 2pi2 n PHE 112 Cb 0.18 -0.01 -0.03 0.00 -1.00 0.00 0.00 39.48 38.62 2pi2 n PHE 112 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 2pi2 n TYR 113 N 0.61 -2.27 -2.28 1.38 9.36 -1.01 -5.13 117.16 117.83 2pi2 n TYR 113 Ca 0.08 -2.41 -0.38 0.00 3.32 0.00 0.00 57.90 58.51 2pi2 n TYR 113 Cb 0.32 0.82 -0.02 0.00 -0.63 0.00 0.00 39.34 39.82 2pi2 n TYR 113 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 2pi2 s PRO 114 N 0.20 4.04 -0.53 2.98 0.02 -1.12 -4.64 135.00 135.94 2pi2 s PRO 114 Ca 0.32 1.86 -0.20 0.00 0.02 0.00 0.00 61.00 63.00 2pi2 s PRO 114 Cb 0.10 -2.68 0.06 0.00 0.02 0.00 0.00 34.50 32.01 2pi2 s PRO 114 CO -0.15 -0.33 0.70 -1.17 -0.33 0.00 0.00 177.00 175.71 2pi2 s LEU 115 N -2.50 4.86 0.00 -5.54 2.96 -1.26 -4.96 118.68 112.25 2pi2 s LEU 115 Ca 0.57 -0.90 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 2pi2 s LEU 115 Cb -0.31 -2.48 0.00 0.00 0.50 0.00 0.00 46.19 43.90 2pi2 s LEU 115 CO 0.39 -0.99 0.00 0.61 -1.32 0.00 0.00 176.35 175.04 2pi2 n GLY 116 N 5.18 -2.36 3.74 7.98 0.00 -1.26 -4.86 105.19 113.61 2pi2 n GLY 116 Ca -0.06 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 2pi2 n GLY 116 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2pi2 s ILE 117 N -0.71 3.77 0.00 -0.61 -4.36 -1.26 -5.13 121.20 112.90 2pi2 s ILE 117 Ca 0.00 1.52 0.00 0.00 -0.26 0.00 0.00 60.65 61.91 2pi2 s ILE 117 Cb 0.00 -3.97 0.00 0.00 1.25 0.00 0.00 42.46 39.74 2pi2 s ILE 117 CO 0.00 0.26 0.19 0.55 0.24 0.00 0.00 174.94 176.18