#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pi2 h ASP 3 N 0.00 0.00 -0.36 -1.34 3.58 -2.02 -3.41 116.42 112.87 2pi2 h ASP 3 Ca 0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2pi2 h ASP 3 Cb 0.00 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 2pi2 h ASP 3 CO 0.00 0.53 0.07 1.15 -2.88 0.00 0.00 179.24 178.10 2pi2 n MET 4 N -4.17 2.88 0.20 0.28 0.00 -1.26 -4.00 117.12 111.04 2pi2 n MET 4 Ca -0.04 -1.71 0.14 0.00 0.00 0.00 0.00 57.70 56.10 2pi2 n MET 4 Cb 0.13 -1.87 0.63 0.00 0.00 0.00 0.00 33.22 32.11 2pi2 n MET 4 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 2pi2 h MET 5 N 1.89 0.00 -0.46 3.17 2.86 -2.00 -2.32 114.93 118.06 2pi2 h MET 5 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2pi2 h MET 5 Cb 1.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.10 2pi2 h MET 5 CO 0.33 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 178.05 2pi2 n ASP 6 N -2.59 4.42 -4.49 1.22 8.00 -1.26 -4.77 116.55 117.09 2pi2 n ASP 6 Ca 0.01 -2.67 -0.26 0.00 0.71 0.00 0.00 54.79 52.57 2pi2 n ASP 6 Cb 0.22 -0.54 -0.10 0.00 -0.02 0.00 0.00 41.12 40.68 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 -2.24 2.69 0.38 0.64 1.43 -0.88 -4.53 118.68 116.17 2pi2 s LEU 7 Ca 0.45 -0.77 -0.27 0.00 -1.03 0.00 0.00 54.13 52.51 2pi2 s LEU 7 Cb 0.32 -1.37 -0.09 0.00 0.03 0.00 0.00 46.19 45.08 2pi2 s LEU 7 CO 0.16 0.10 1.32 -2.84 0.23 0.00 0.00 176.35 175.32 2pi2 s PRO 8 N -2.90 4.11 -0.11 1.29 0.02 -1.26 -4.97 135.00 131.18 2pi2 s PRO 8 Ca 0.24 2.21 0.02 0.00 0.02 0.00 0.00 61.00 63.49 2pi2 s PRO 8 Cb -0.08 -2.88 0.01 0.00 0.02 0.00 0.00 34.50 31.58 2pi2 s PRO 8 CO 0.13 -0.40 -0.15 1.03 -0.33 0.00 0.00 177.00 177.28 2pi2 s ARG 9 N -2.08 2.17 0.08 5.54 0.52 -1.26 -4.69 118.95 119.22 2pi2 s ARG 9 Ca 0.54 -0.54 -0.30 0.00 -0.52 0.00 0.00 55.73 54.91 2pi2 s ARG 9 Cb -0.39 -1.85 -0.05 0.00 0.52 0.00 0.00 34.95 33.18 2pi2 s ARG 9 CO 0.51 -0.07 0.96 -1.12 0.02 0.00 0.00 175.30 175.61 2pi2 s SER 10 N 1.00 7.46 -0.21 0.23 0.01 -0.95 -4.59 113.70 116.65 2pi2 s SER 10 Ca -0.07 1.75 -0.28 0.00 1.31 0.00 0.00 55.95 58.67 2pi2 s SER 10 Cb -0.15 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2pi2 s SER 10 CO -0.02 -0.12 0.97 -0.13 0.41 0.00 0.00 173.24 174.36 2pi2 s ARG 11 N 0.27 4.27 0.32 12.44 0.52 -1.26 -0.49 118.95 135.02 2pi2 s ARG 11 Ca 0.48 1.24 0.03 0.00 -0.52 0.00 0.00 55.73 56.96 2pi2 s ARG 11 Cb -0.23 -3.62 -0.05 0.00 0.52 0.00 0.00 34.95 31.57 2pi2 s ARG 11 CO 0.29 -0.53 0.08 0.96 0.02 0.00 0.00 175.30 176.12 2pi2 s ILE 12 N 2.85 0.93 0.54 1.52 -4.36 -0.96 -4.94 121.20 116.78 2pi2 s ILE 12 Ca 0.42 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.83 2pi2 s ILE 12 Cb -0.16 -2.68 0.02 0.00 1.25 0.00 0.00 42.46 40.89 2pi2 s ILE 12 CO 0.09 0.00 0.18 0.54 0.24 0.00 0.00 174.94 175.99 2pi2 s ASN 13 N -3.46 4.36 0.33 4.36 2.20 -1.26 -4.47 114.94 117.00 2pi2 s ASN 13 Ca 0.35 -1.52 0.03 0.00 -0.94 0.00 0.00 52.86 50.78 2pi2 s ASN 13 Cb 0.08 0.60 0.59 0.00 -2.00 0.00 0.00 41.25 40.51 2pi2 s ASN 13 CO 0.15 -1.02 1.89 0.00 -2.94 0.00 0.00 177.10 175.18 2pi2 h ALA 14 N 1.03 1.38 0.00 3.54 0.00 -1.89 -1.68 119.26 121.64 2pi2 h ALA 14 Ca -0.41 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2pi2 h ALA 14 Cb 1.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2pi2 h ALA 14 CO 0.66 0.44 0.00 0.78 0.00 0.00 0.00 179.25 181.13 2pi2 h GLY 15 N 0.84 0.00 0.58 0.00 0.00 -1.93 -2.34 103.07 100.22 2pi2 h GLY 15 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2pi2 h GLY 15 CO 0.00 0.00 -0.82 1.03 0.00 0.00 0.00 176.54 176.75 2pi2 n MET 16 N -2.71 0.10 -0.26 4.80 2.81 -0.64 -4.52 117.12 116.70 2pi2 n MET 16 Ca -0.02 -0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.93 2pi2 n MET 16 Cb 0.10 -1.53 0.19 0.00 -0.71 0.00 0.00 33.22 31.27 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 0.30 -1.67 4.03 3.38 -1.43 -0.68 115.31 119.24 2pi2 h LEU 17 Ca 0.00 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2pi2 h LEU 17 Cb 0.58 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2pi2 h LEU 17 CO 0.00 0.11 -0.18 0.00 0.09 0.00 0.00 178.44 178.46 2pi2 h ALA 18 N 1.55 1.28 0.00 1.53 0.00 -1.79 -2.00 119.26 119.83 2pi2 h ALA 18 Ca 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2pi2 h ALA 18 Cb 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2pi2 h ALA 18 CO -0.40 0.22 -0.27 1.04 0.00 0.00 0.00 179.25 179.84 2pi2 n GLN 19 N -3.72 0.05 -0.53 0.00 6.02 -0.29 -4.23 117.38 114.67 2pi2 n GLN 19 Ca -0.02 0.02 0.07 0.00 -0.01 0.00 0.00 57.00 57.07 2pi2 n GLN 19 Cb 0.29 -1.54 0.19 0.00 1.02 0.00 0.00 30.24 30.20 2pi2 n GLN 19 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2pi2 n PHE 20 N -1.62 0.00 -1.69 1.08 3.01 -0.76 -5.05 117.46 112.43 2pi2 n PHE 20 Ca 0.06 -1.35 -0.44 0.00 1.01 0.00 0.00 57.45 56.73 2pi2 n PHE 20 Cb 0.35 -0.22 -0.04 0.00 -0.01 0.00 0.00 39.48 39.56 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 -1.10 0.11 -1.10 4.37 5.41 -1.18 -1.90 119.36 123.97 2pi2 n ILE 21 Ca 0.18 -0.02 -0.03 0.00 1.00 0.00 0.00 62.75 63.87 2pi2 n ILE 21 Cb 0.70 -1.83 -0.01 0.00 -0.71 0.00 0.00 39.64 37.78 2pi2 n ILE 21 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2pi2 n ASP 22 N 4.25 -3.69 -4.69 4.38 2.03 0.10 -4.97 116.55 113.95 2pi2 n ASP 22 Ca 0.17 0.09 -0.32 0.00 0.52 0.00 0.00 54.79 55.25 2pi2 n ASP 22 Cb 0.33 -1.50 -0.08 0.00 -0.72 0.00 0.00 41.12 39.15 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 -1.77 2.76 0.14 -0.67 1.02 -0.80 -4.81 119.74 115.62 2pi2 s LYS 23 Ca 0.00 -0.66 -0.31 0.00 0.02 0.00 0.00 55.97 55.02 2pi2 s LYS 23 Cb 0.00 -2.66 -0.09 0.00 -0.52 0.00 0.00 37.83 34.57 2pi2 s LYS 23 CO 0.00 0.60 1.46 -2.14 -0.92 0.00 0.00 175.35 174.35 2pi2 s PRO 24 N -1.77 4.28 0.20 -1.68 0.02 -1.26 -1.93 135.00 132.86 2pi2 s PRO 24 Ca 0.22 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.43 2pi2 s PRO 24 Cb -0.12 -3.21 -0.05 0.00 0.02 0.00 0.00 34.50 31.15 2pi2 s PRO 24 CO 0.13 -0.50 0.07 0.14 -0.33 0.00 0.00 177.00 176.51 2pi2 s VAL 25 N 1.05 0.39 -0.14 3.83 -7.23 0.78 -2.23 120.40 116.84 2pi2 s VAL 25 Ca 0.66 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.85 2pi2 s VAL 25 Cb -0.40 -2.38 0.03 0.00 0.56 0.00 0.00 36.38 34.20 2pi2 s VAL 25 CO 0.31 -0.20 -0.05 0.00 -0.31 0.00 0.00 175.10 174.85 2pi2 s PHE 27 N 1.69 2.94 -0.13 0.00 5.36 0.36 -2.27 117.98 125.94 2pi2 s PHE 27 Ca 0.03 -1.52 -0.05 0.00 -0.96 0.00 0.00 56.93 54.42 2pi2 s PHE 27 Cb -0.14 -2.00 -0.04 0.00 -0.34 0.00 0.00 43.02 40.50 2pi2 s PHE 27 CO -0.08 -0.73 0.06 0.08 -1.46 0.00 0.00 175.22 173.09 2pi2 s VAL 28 N 1.33 4.83 0.14 3.12 1.01 -1.26 -0.20 120.40 129.36 2pi2 s VAL 28 Ca 0.03 -0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 2pi2 s VAL 28 Cb -0.15 -3.11 0.07 0.00 0.00 0.00 0.00 36.38 33.19 2pi2 s VAL 28 CO -0.08 0.55 1.02 -0.83 0.00 0.00 0.00 175.10 175.76 2pi2 s GLY 29 N -0.43 -0.19 -0.09 4.51 0.00 -0.65 -4.61 107.32 105.87 2pi2 s GLY 29 Ca 0.10 0.11 -0.17 0.00 0.00 0.00 0.00 44.72 44.76 2pi2 s GLY 29 CO 0.02 0.45 0.45 -1.60 0.00 0.00 0.00 173.10 172.42 2pi2 s ARG 30 N -2.97 4.24 -0.03 2.90 3.52 0.96 -0.76 118.95 126.81 2pi2 s ARG 30 Ca 0.14 0.43 -0.30 0.00 -0.13 0.00 0.00 55.73 55.88 2pi2 s ARG 30 Cb -0.01 -3.38 -0.07 0.00 -1.56 0.00 0.00 34.95 29.94 2pi2 s ARG 30 CO 0.02 0.30 1.77 -1.17 -0.81 0.00 0.00 175.30 175.41 2pi2 s LEU 31 N 0.16 4.34 -0.26 -0.88 2.96 -0.46 -0.17 118.68 124.36 2pi2 s LEU 31 Ca 0.25 2.37 -0.10 0.00 -0.22 0.00 0.00 54.13 56.43 2pi2 s LEU 31 Cb -0.16 -3.53 -0.13 0.00 0.50 0.00 0.00 46.19 42.88 2pi2 s LEU 31 CO 0.11 -0.99 -0.32 -0.62 -1.32 0.00 0.00 176.35 173.21 2pi2 n GLU 32 N 7.31 0.58 -3.73 1.98 -0.58 0.26 -4.72 120.64 121.74 2pi2 n GLU 32 Ca 0.18 0.22 -0.12 0.00 -0.42 0.00 0.00 57.16 57.03 2pi2 n GLU 32 Cb 0.42 -1.47 -0.11 0.00 -0.57 0.00 0.00 31.44 29.72 2pi2 n GLU 32 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2pi2 s LYS 33 N -2.49 0.41 -0.20 3.49 1.02 -1.20 -4.98 119.74 115.79 2pi2 s LYS 33 Ca -0.37 0.60 -0.10 0.00 0.02 0.00 0.00 55.97 56.13 2pi2 s LYS 33 Cb 0.13 0.13 -0.05 0.00 -0.52 0.00 0.00 37.83 37.52 2pi2 s LYS 33 CO 0.50 -0.09 0.12 0.42 -0.92 0.00 0.00 175.35 175.38 2pi2 s ILE 34 N 0.60 5.28 0.51 2.17 1.01 -1.26 -0.30 121.20 129.21 2pi2 s ILE 34 Ca -0.03 0.14 -0.23 0.00 0.00 0.00 0.00 60.65 60.54 2pi2 s ILE 34 Cb -0.05 -3.41 -0.06 0.00 0.01 0.00 0.00 42.46 38.95 2pi2 s ILE 34 CO -0.04 0.43 1.33 -2.28 0.00 0.00 0.00 174.94 174.38 2pi2 s HIS 35 N 0.48 2.44 0.35 3.97 5.65 0.12 -4.90 115.29 123.40 2pi2 s HIS 35 Ca 0.07 1.39 0.11 0.00 0.25 0.00 0.00 55.06 56.88 2pi2 s HIS 35 Cb -0.12 -3.73 0.89 0.00 -1.18 0.00 0.00 32.58 28.44 2pi2 s HIS 35 CO -0.01 -2.61 1.81 -1.35 -0.65 0.00 0.00 174.74 171.93 2pi2 h PRO 36 N 1.73 0.60 0.00 2.88 0.11 -1.99 0.46 132.00 135.78 2pi2 h PRO 36 Ca -0.51 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 2pi2 h PRO 36 Cb 1.28 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2pi2 h PRO 36 CO 0.58 0.39 -0.06 1.79 -0.21 0.00 0.00 178.00 180.50 2pi2 h THR 37 N 0.61 0.20 0.00 -1.15 1.35 -1.93 -3.47 112.91 108.52 2pi2 h THR 37 Ca 0.54 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 2pi2 h THR 37 Cb 1.04 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 2pi2 h THR 37 CO -0.30 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.64 2pi2 n GLY 38 N -0.22 0.39 1.16 5.82 0.00 0.15 -4.84 105.19 107.65 2pi2 n GLY 38 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.77 3.32 -3.65 1.61 5.02 -1.26 -0.88 118.16 120.55 2pi2 n LYS 39 Ca 0.00 -2.66 -0.15 0.00 -2.02 0.00 0.00 58.31 53.48 2pi2 n LYS 39 Cb 0.14 -1.72 -0.08 0.00 -0.02 0.00 0.00 35.03 33.35 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 -1.88 0.80 0.07 1.97 1.75 -1.26 -0.38 119.30 120.37 2pi2 s MET 40 Ca 0.41 0.30 -0.13 0.00 -1.25 0.00 0.00 55.69 55.03 2pi2 s MET 40 Cb 0.28 0.37 0.02 0.00 2.84 0.00 0.00 34.83 38.34 2pi2 s MET 40 CO 0.18 -0.20 0.28 -0.59 -0.65 0.00 0.00 175.02 174.05 2pi2 s PHE 41 N -0.71 -0.04 -0.15 4.11 -0.12 -0.22 -0.70 117.98 120.15 2pi2 s PHE 41 Ca -0.08 -0.20 -0.04 0.00 -0.05 0.00 0.00 56.93 56.57 2pi2 s PHE 41 Cb -0.03 0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.41 2pi2 s PHE 41 CO 0.05 -0.54 -0.04 0.42 -0.05 0.00 0.00 175.22 175.06 2pi2 s ILE 42 N -3.08 3.90 -0.05 -4.49 1.01 0.59 -0.17 121.20 118.91 2pi2 s ILE 42 Ca -0.01 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.33 2pi2 s ILE 42 Cb 0.01 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 2pi2 s ILE 42 CO -0.07 0.50 -0.18 -0.76 0.00 0.00 0.00 174.94 174.44 2pi2 s LEU 43 N 0.29 2.53 -0.22 2.97 1.43 -0.11 -0.57 118.68 124.99 2pi2 s LEU 43 Ca -0.03 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 52.64 2pi2 s LEU 43 Cb -0.14 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 2pi2 s LEU 43 CO 0.03 0.32 0.29 -0.55 0.23 0.00 0.00 176.35 176.67 2pi2 s SER 44 N -0.58 6.29 0.99 2.29 0.15 0.76 -0.19 113.70 123.41 2pi2 s SER 44 Ca 0.08 0.33 -0.11 0.00 0.70 0.00 0.00 55.95 56.95 2pi2 s SER 44 Cb -0.11 -2.18 0.16 0.00 -1.71 0.00 0.00 66.02 62.18 2pi2 s SER 44 CO 0.01 -0.01 0.92 -0.90 1.20 0.00 0.00 173.24 174.46 2pi2 n ASP 45 N 4.40 0.08 0.05 5.45 5.68 0.14 -0.03 116.55 132.32 2pi2 n ASP 45 Ca -0.11 -1.34 0.09 0.00 -0.50 0.00 0.00 54.79 52.93 2pi2 n ASP 45 Cb 0.51 -0.71 0.39 0.00 -1.14 0.00 0.00 41.12 40.18 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 -1.05 -1.14 1.04 6.12 0.00 -1.26 -1.77 105.19 107.13 2pi2 n GLY 46 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.81 2.36 -1.00 1.61 1.02 -1.26 -4.41 120.64 117.14 2pi2 n GLU 47 Ca 0.03 -2.06 -0.00 0.00 -0.02 0.00 0.00 57.16 55.11 2pi2 n GLU 47 Cb 0.20 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.13 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 1.44 0.46 3.84 0.62 0.00 -0.73 -5.04 105.19 105.77 2pi2 n GLY 48 Ca 0.19 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.72 3.34 0.03 1.61 -0.14 -1.26 -4.82 119.74 117.78 2pi2 s LYS 49 Ca 0.00 -0.22 -0.15 0.00 -1.36 0.00 0.00 55.97 54.24 2pi2 s LYS 49 Cb 0.00 -3.09 -0.06 0.00 -1.68 0.00 0.00 37.83 33.00 2pi2 s LYS 49 CO 0.00 0.75 0.45 -0.80 -0.76 0.00 0.00 175.35 174.99 2pi2 s ASN 50 N -1.13 6.85 -0.04 2.83 0.01 -1.26 -0.69 114.94 121.51 2pi2 s ASN 50 Ca 0.16 1.02 0.05 0.00 -0.71 0.00 0.00 52.86 53.38 2pi2 s ASN 50 Cb -0.12 -2.27 -0.01 0.00 0.41 0.00 0.00 41.25 39.27 2pi2 s ASN 50 CO 0.06 0.28 -0.19 -0.83 -1.51 0.00 0.00 177.10 174.91 2pi2 s GLY 51 N -1.21 1.01 -0.20 0.66 0.00 0.73 -4.85 107.32 103.47 2pi2 s GLY 51 Ca 0.27 -0.80 -0.16 0.00 0.00 0.00 0.00 44.72 44.03 2pi2 s GLY 51 CO 0.15 -0.48 0.42 -1.59 0.00 0.00 0.00 173.10 171.61 2pi2 s THR 52 N -0.09 5.18 -0.24 0.90 2.01 -1.26 -0.94 115.64 121.21 2pi2 s THR 52 Ca -0.02 0.75 -0.06 0.00 0.31 0.00 0.00 61.69 62.67 2pi2 s THR 52 Cb -0.11 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 2pi2 s THR 52 CO 0.02 0.24 0.04 -0.63 -0.69 0.00 0.00 174.62 173.60 2pi2 s ILE 53 N 1.37 4.07 -0.12 1.82 -1.09 0.76 -1.12 121.20 126.89 2pi2 s ILE 53 Ca 0.20 -0.26 -0.09 0.00 -2.23 0.00 0.00 60.65 58.28 2pi2 s ILE 53 Cb -0.15 -2.88 -0.04 0.00 -1.58 0.00 0.00 42.46 37.80 2pi2 s ILE 53 CO 0.08 0.37 0.17 -1.61 -1.23 0.00 0.00 174.94 172.72 2pi2 s GLU 54 N 1.51 3.64 0.01 2.79 2.02 0.82 -1.05 118.70 128.43 2pi2 s GLU 54 Ca 0.06 -0.08 0.04 0.00 0.02 0.00 0.00 54.97 55.00 2pi2 s GLU 54 Cb -0.15 -3.24 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 2pi2 s GLU 54 CO 0.02 0.67 -0.07 -0.51 0.02 0.00 0.00 175.26 175.39 2pi2 s LEU 55 N -0.75 3.13 0.26 1.80 1.02 0.49 -0.59 118.68 124.04 2pi2 s LEU 55 Ca 0.15 -0.17 -0.02 0.00 0.02 0.00 0.00 54.13 54.11 2pi2 s LEU 55 Cb -0.12 -1.80 0.33 0.00 0.02 0.00 0.00 46.19 44.62 2pi2 s LEU 55 CO 0.04 0.28 1.76 0.24 0.02 0.00 0.00 176.35 178.69 2pi2 h MET 56 N 4.51 0.81 -3.09 1.70 2.86 -1.86 -3.46 114.93 116.41 2pi2 h MET 56 Ca -0.48 -0.21 -0.10 0.00 -2.06 0.00 0.00 59.70 56.85 2pi2 h MET 56 Cb 1.17 -0.10 -0.18 0.00 0.06 0.00 0.00 31.60 32.55 2pi2 h MET 56 CO 0.53 0.80 -0.20 -1.83 1.06 0.00 0.00 176.91 177.27 2pi2 s GLU 57 N -5.02 0.80 0.65 1.72 -1.05 -1.26 -5.14 118.70 109.39 2pi2 s GLU 57 Ca -0.10 -0.33 -0.17 0.00 -0.15 0.00 0.00 54.97 54.22 2pi2 s GLU 57 Cb 0.15 0.35 -0.03 0.00 -0.44 0.00 0.00 34.13 34.16 2pi2 s GLU 57 CO 0.81 -0.25 0.91 -0.35 0.95 0.00 0.00 175.26 177.33 2pi2 n PRO 58 N 0.81 0.71 -1.73 -4.83 -0.04 -1.26 -4.79 135.00 123.86 2pi2 n PRO 58 Ca -0.20 0.29 -0.42 0.00 -0.04 0.00 0.00 63.50 63.13 2pi2 n PRO 58 Cb 0.58 -2.14 -0.01 0.00 -0.04 0.00 0.00 33.50 31.90 2pi2 n PRO 58 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2pi2 n LEU 59 N -0.96 4.13 0.01 1.53 4.77 -0.06 -4.91 117.00 121.51 2pi2 n LEU 59 Ca 0.13 1.20 0.12 0.00 -0.03 0.00 0.00 56.01 57.43 2pi2 n LEU 59 Cb 0.48 -1.55 0.29 0.00 -2.33 0.00 0.00 43.42 40.31 2pi2 n LEU 59 CO 0.49 -0.12 0.51 0.47 -1.33 0.00 0.00 177.39 177.41 2pi2 n ASP 60 N 1.07 0.47 -3.76 -1.43 8.00 -1.26 -4.99 116.55 114.64 2pi2 n ASP 60 Ca 0.05 -0.09 -0.10 0.00 0.71 0.00 0.00 54.79 55.36 2pi2 n ASP 60 Cb 0.37 0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.56 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 -3.03 1.32 -0.08 -1.24 -1.05 -1.26 -5.13 118.70 108.23 2pi2 s GLU 61 Ca 0.11 -0.90 -0.30 0.00 -0.15 0.00 0.00 54.97 53.73 2pi2 s GLU 61 Cb 0.17 0.49 -0.02 0.00 -0.44 0.00 0.00 34.13 34.33 2pi2 s GLU 61 CO 0.68 -0.55 1.09 -2.00 0.95 0.00 0.00 175.26 175.43 2pi2 s GLU 62 N -3.88 4.40 0.08 -4.83 2.56 -1.26 -5.05 118.70 110.72 2pi2 s GLU 62 Ca 0.10 1.51 0.07 0.00 0.00 0.00 0.00 54.97 56.65 2pi2 s GLU 62 Cb -0.00 -3.54 -0.04 0.00 2.00 0.00 0.00 34.13 32.55 2pi2 s GLU 62 CO -0.03 -0.36 -0.13 0.96 -0.56 0.00 0.00 175.26 175.14 2pi2 s ILE 63 N 2.04 3.16 0.27 -3.70 -4.36 -1.26 -5.13 121.20 112.22 2pi2 s ILE 63 Ca 0.52 -1.23 -0.21 0.00 -0.26 0.00 0.00 60.65 59.47 2pi2 s ILE 63 Cb -0.21 -2.43 0.04 0.00 1.25 0.00 0.00 42.46 41.11 2pi2 s ILE 63 CO 0.20 0.20 0.80 -0.94 0.24 0.00 0.00 174.94 175.45 2pi2 s SER 64 N -1.91 -0.18 0.76 4.36 1.04 -1.26 -5.04 113.70 111.47 2pi2 s SER 64 Ca 0.19 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.95 2pi2 s SER 64 Cb -0.11 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2pi2 s SER 64 CO 0.10 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 173.64 2pi2 n GLY 65 N -0.49 2.24 3.73 7.32 0.00 -1.26 -4.70 105.19 112.03 2pi2 n GLY 65 Ca -0.05 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 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 5.05 -0.03 -0.61 1.09 -1.26 -1.36 121.20 124.08 2pi2 s ILE 66 Ca 0.00 1.29 0.03 0.00 -1.10 0.00 0.00 60.65 60.87 2pi2 s ILE 66 Cb 0.00 -3.96 -0.00 0.00 -1.06 0.00 0.00 42.46 37.43 2pi2 s ILE 66 CO 0.00 0.31 -0.12 -0.69 -0.10 0.00 0.00 174.94 174.34 2pi2 s VAL 67 N 0.55 0.97 -0.21 2.92 1.01 0.06 -0.41 120.40 125.29 2pi2 s VAL 67 Ca 0.33 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 2pi2 s VAL 67 Cb -0.17 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 2pi2 s VAL 67 CO 0.16 0.29 -0.01 -0.70 0.00 0.00 0.00 175.10 174.84 2pi2 s GLU 68 N 0.06 3.54 -0.14 2.72 2.12 0.83 -1.63 118.70 126.19 2pi2 s GLU 68 Ca -0.02 -0.56 -0.02 0.00 0.36 0.00 0.00 54.97 54.73 2pi2 s GLU 68 Cb -0.08 -3.05 -0.02 0.00 0.26 0.00 0.00 34.13 31.23 2pi2 s GLU 68 CO 0.01 -0.05 -0.06 0.08 -0.54 0.00 0.00 175.26 174.69 2pi2 s VAL 69 N 1.15 3.69 -0.15 3.70 1.01 0.72 -1.13 120.40 129.39 2pi2 s VAL 69 Ca 0.02 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 2pi2 s VAL 69 Cb -0.14 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 2pi2 s VAL 69 CO 0.01 0.51 0.16 -0.69 0.00 0.00 0.00 175.10 175.08 2pi2 s VAL 70 N 0.25 5.44 0.00 2.92 1.01 0.22 -0.48 120.40 129.75 2pi2 s VAL 70 Ca -0.04 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.19 2pi2 s VAL 70 Cb -0.14 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2pi2 s VAL 70 CO 0.03 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2pi2 n GLY 71 N 2.64 0.67 3.31 4.51 0.00 -0.80 -0.01 105.19 115.52 2pi2 n GLY 71 Ca -0.18 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.18 2.51 0.05 1.61 3.52 -0.70 -0.16 118.95 124.59 2pi2 s ARG 72 Ca 0.00 -0.87 -0.31 0.00 -0.13 0.00 0.00 55.73 54.43 2pi2 s ARG 72 Cb 0.00 -2.20 -0.06 0.00 -1.56 0.00 0.00 34.95 31.13 2pi2 s ARG 72 CO 0.00 0.44 1.36 0.08 -0.81 0.00 0.00 175.30 176.38 2pi2 s VAL 73 N -0.31 3.62 0.79 7.11 1.01 -0.81 -0.96 120.40 130.85 2pi2 s VAL 73 Ca 0.01 1.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.98 2pi2 s VAL 73 Cb -0.13 -3.70 0.09 0.00 0.00 0.00 0.00 36.38 32.63 2pi2 s VAL 73 CO 0.02 0.04 1.15 0.42 0.00 0.00 0.00 175.10 176.73 2pi2 s THR 74 N 1.70 2.07 0.57 3.92 -4.23 0.23 -0.72 115.64 119.17 2pi2 s THR 74 Ca 0.63 -0.08 0.27 0.00 -1.18 0.00 0.00 61.69 61.33 2pi2 s THR 74 Cb -0.33 -2.99 0.37 0.00 1.34 0.00 0.00 72.50 70.88 2pi2 s THR 74 CO 0.28 0.00 2.05 0.00 -0.54 0.00 0.00 174.62 176.41 2pi2 h ALA 75 N -0.98 2.07 -0.39 3.99 0.00 -1.95 -1.30 119.26 120.69 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 1.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2pi2 h ALA 75 CO 0.62 -0.43 0.00 1.63 0.00 0.00 0.00 179.25 181.07 2pi2 n LYS 76 N -4.01 1.95 -3.37 0.00 5.02 -1.26 -4.92 118.16 111.58 2pi2 n LYS 76 Ca 0.04 -1.42 -0.24 0.00 -2.02 0.00 0.00 58.31 54.67 2pi2 n LYS 76 Cb 0.43 -1.32 0.05 0.00 -0.02 0.00 0.00 35.03 34.17 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 0.64 -1.14 -2.33 7.82 0.00 -0.49 -5.02 120.51 119.99 2pi2 n ALA 77 Ca 0.13 0.31 -0.25 0.00 0.00 0.00 0.00 53.44 53.63 2pi2 n ALA 77 Cb 0.35 -4.50 0.01 0.00 0.00 0.00 0.00 19.45 15.31 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 -3.23 1.69 -0.16 0.00 -4.23 -1.26 -4.73 115.64 103.73 2pi2 s THR 78 Ca 0.46 -1.40 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 2pi2 s THR 78 Cb -0.21 -2.09 0.02 0.00 1.34 0.00 0.00 72.50 71.56 2pi2 s THR 78 CO 0.57 0.00 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.83 2pi2 s ILE 79 N -2.77 1.90 -0.44 2.99 1.01 -0.27 -0.60 121.20 123.01 2pi2 s ILE 79 Ca 0.39 -0.85 -0.28 0.00 0.00 0.00 0.00 60.65 59.91 2pi2 s ILE 79 Cb -0.03 -1.72 0.03 0.00 0.01 0.00 0.00 42.46 40.74 2pi2 s ILE 79 CO 0.24 0.52 1.05 -0.22 0.00 0.00 0.00 174.94 176.53 2pi2 s LEU 80 N 1.20 3.81 0.06 2.97 2.96 -0.13 -0.13 118.68 129.42 2pi2 s LEU 80 Ca 0.01 0.44 -0.27 0.00 -0.22 0.00 0.00 54.13 54.09 2pi2 s LEU 80 Cb -0.14 -3.42 -0.05 0.00 0.50 0.00 0.00 46.19 43.08 2pi2 s LEU 80 CO -0.09 -1.11 0.85 0.00 -1.32 0.00 0.00 176.35 174.68 2pi2 n THR 82 N 2.89 1.36 -3.72 0.00 -1.04 0.99 -4.41 114.28 110.35 2pi2 n THR 82 Ca -0.00 -0.67 -0.10 0.00 -2.04 0.00 0.00 64.05 61.24 2pi2 n THR 82 Cb 0.50 -0.95 -0.03 0.00 -1.82 0.00 0.00 70.33 68.03 2pi2 n THR 82 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2pi2 s SER 83 N -5.89 -0.29 0.06 8.00 1.04 -1.13 -4.93 113.70 110.57 2pi2 s SER 83 Ca -0.22 -0.45 -0.14 0.00 0.48 0.00 0.00 55.95 55.62 2pi2 s SER 83 Cb 0.07 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.81 2pi2 s SER 83 CO 0.67 -1.08 0.31 -0.72 0.98 0.00 0.00 173.24 173.40 2pi2 s TYR 84 N -3.87 -0.10 -0.01 5.02 -0.85 -1.26 -0.61 117.35 115.67 2pi2 s TYR 84 Ca 0.09 -0.08 0.01 0.00 -0.52 0.00 0.00 57.07 56.57 2pi2 s TYR 84 Cb -0.01 0.11 0.01 0.00 0.38 0.00 0.00 41.96 42.44 2pi2 s TYR 84 CO -0.03 -0.53 -0.04 0.08 -1.52 0.00 0.00 175.55 173.51 2pi2 s VAL 85 N -2.83 0.40 -0.09 -3.49 1.01 -0.28 -4.97 120.40 110.13 2pi2 s VAL 85 Ca -0.03 -0.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.57 2pi2 s VAL 85 Cb 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 2pi2 s VAL 85 CO -0.05 0.14 0.68 -1.10 0.00 0.00 0.00 175.10 174.77 2pi2 s GLN 86 N 0.23 4.40 -0.09 2.72 -0.21 -1.26 -0.12 119.66 125.33 2pi2 s GLN 86 Ca -0.02 0.82 -0.30 0.00 0.02 0.00 0.00 55.36 55.88 2pi2 s GLN 86 Cb -0.06 -3.47 -0.03 0.00 1.00 0.00 0.00 33.01 30.45 2pi2 s GLN 86 CO -0.00 0.02 1.26 -0.06 -2.12 0.00 0.00 175.29 174.39 2pi2 s PHE 87 N 0.98 2.98 0.10 0.91 0.40 0.45 -4.97 117.98 118.82 2pi2 s PHE 87 Ca 0.35 1.05 -0.31 0.00 -0.60 0.00 0.00 56.93 57.43 2pi2 s PHE 87 Cb -0.17 -3.50 -0.10 0.00 0.51 0.00 0.00 43.02 39.76 2pi2 s PHE 87 CO 0.16 -1.69 1.84 0.21 0.70 0.00 0.00 175.22 176.44 2pi2 s LYS 88 N 2.77 4.14 0.00 0.44 2.20 -1.26 -4.60 119.74 123.43 2pi2 s LYS 88 Ca 0.57 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.75 2pi2 s LYS 88 Cb -0.25 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.34 2pi2 s LYS 88 CO 0.20 -0.86 0.53 0.39 -0.36 0.00 0.00 175.35 175.25 2pi2 n GLU 89 N 6.13 0.60 -0.03 4.03 1.02 -1.26 -4.86 120.64 126.27 2pi2 n GLU 89 Ca 0.18 -0.67 -0.08 0.00 -0.02 0.00 0.00 57.16 56.57 2pi2 n GLU 89 Cb 0.39 -0.76 -0.02 0.00 -0.02 0.00 0.00 31.44 31.03 2pi2 n GLU 89 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2pi2 h ASP 90 N 0.00 -0.56 0.52 1.62 2.03 -2.02 -2.99 116.42 115.02 2pi2 h ASP 90 Ca 0.00 0.11 -0.28 0.00 -0.73 0.00 0.00 57.03 56.13 2pi2 h ASP 90 Cb 0.51 0.28 0.01 0.00 -0.83 0.00 0.00 39.33 39.30 2pi2 h ASP 90 CO 0.00 -0.22 -1.23 0.77 -1.03 0.00 0.00 179.24 177.53 2pi2 h SER 91 N -0.19 0.52 -3.09 4.15 4.64 -2.03 -3.45 113.55 114.10 2pi2 h SER 91 Ca 0.12 -0.53 -0.29 0.00 -0.47 0.00 0.00 61.79 60.62 2pi2 h SER 91 Cb 0.37 -0.17 -0.36 0.00 -0.31 0.00 0.00 62.40 61.94 2pi2 h SER 91 CO -0.31 1.39 -0.64 -1.00 -0.87 0.00 0.00 176.83 175.41 2pi2 s HIS 92 N -2.75 -0.18 0.28 4.77 3.76 -1.13 -5.13 115.29 114.91 2pi2 s HIS 92 Ca -0.05 0.61 -0.30 0.00 -0.15 0.00 0.00 55.06 55.17 2pi2 s HIS 92 Cb 0.07 -0.26 -0.12 0.00 1.11 0.00 0.00 32.58 33.38 2pi2 s HIS 92 CO 0.89 -0.27 1.58 -2.30 -0.85 0.00 0.00 174.74 173.79 2pi2 n PRO 93 N 5.31 2.59 -2.65 8.40 -0.02 -1.26 -4.59 135.00 142.79 2pi2 n PRO 93 Ca -0.05 0.92 -0.42 0.00 -2.02 0.00 0.00 63.50 61.94 2pi2 n PRO 93 Cb 0.50 -2.69 -0.03 0.00 -0.02 0.00 0.00 33.50 31.26 2pi2 n PRO 93 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2pi2 s PHE 94 N 0.10 3.63 -0.78 6.00 5.36 -1.26 -4.99 117.98 126.04 2pi2 s PHE 94 Ca 0.66 1.63 -0.21 0.00 -0.96 0.00 0.00 56.93 58.05 2pi2 s PHE 94 Cb -0.52 -3.18 0.10 0.00 -0.34 0.00 0.00 43.02 39.08 2pi2 s PHE 94 CO 0.47 -0.25 1.04 0.34 -1.46 0.00 0.00 175.22 175.36 2pi2 s ASP 95 N 0.87 6.38 0.27 6.13 -1.08 -1.26 -4.87 116.67 123.11 2pi2 s ASP 95 Ca 0.53 -1.48 0.06 0.00 -0.52 0.00 0.00 52.55 51.14 2pi2 s ASP 95 Cb -0.23 -2.41 0.38 0.00 -1.46 0.00 0.00 42.92 39.20 2pi2 s ASP 95 CO 0.29 -1.27 1.65 0.25 0.52 0.00 0.00 175.17 176.61 2pi2 h LEU 96 N 10.92 0.23 -0.68 -1.34 5.85 -1.96 -1.82 115.31 126.52 2pi2 h LEU 96 Ca -0.08 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.45 2pi2 h LEU 96 Cb 1.05 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 2pi2 h LEU 96 CO 1.15 0.69 0.14 1.23 -0.34 0.00 0.00 178.44 181.32 2pi2 h GLY 97 N 1.36 1.19 0.93 3.75 0.00 -1.90 -0.00 103.07 108.40 2pi2 h GLY 97 Ca 0.01 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 2pi2 h GLY 97 CO 0.08 0.71 0.14 -2.00 0.00 0.00 0.00 176.54 175.47 2pi2 h LEU 98 N 1.03 0.41 -0.57 3.11 5.85 -1.90 -2.40 115.31 120.84 2pi2 h LEU 98 Ca 0.21 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.89 2pi2 h LEU 98 Cb 0.40 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 2pi2 h LEU 98 CO 0.01 0.42 0.19 0.22 -0.34 0.00 0.00 178.44 178.94 2pi2 h TYR 99 N 0.36 0.32 -0.74 1.25 3.20 -1.04 -1.59 116.97 118.73 2pi2 h TYR 99 Ca 0.10 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.08 2pi2 h TYR 99 Cb 0.13 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.28 2pi2 h TYR 99 CO -0.02 0.07 0.41 -0.97 -1.64 0.00 0.00 178.16 176.01 2pi2 h ASN 100 N 0.35 0.60 -0.81 -2.11 -1.24 -0.76 -0.72 115.58 110.89 2pi2 h ASN 100 Ca 0.29 0.04 0.03 0.00 0.71 0.00 0.00 56.30 57.37 2pi2 h ASN 100 Cb 0.37 -0.08 -0.05 0.00 0.73 0.00 0.00 38.32 39.29 2pi2 h ASN 100 CO -0.31 0.37 0.52 -0.33 -1.29 0.00 0.00 177.43 176.39 2pi2 h GLU 101 N 0.73 0.99 -0.69 6.67 4.39 -0.81 -2.06 114.58 123.80 2pi2 h GLU 101 Ca 0.34 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 60.02 2pi2 h GLU 101 Cb 0.26 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 28.64 2pi2 h GLU 101 CO -0.21 0.66 0.43 0.00 -1.16 0.00 0.00 179.01 178.72 2pi2 h ALA 102 N 1.34 0.91 -0.68 3.43 0.00 -0.46 -1.08 119.26 122.72 2pi2 h ALA 102 Ca 0.32 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.30 2pi2 h ALA 102 Cb -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.51 2pi2 h ALA 102 CO -0.11 0.19 0.33 0.28 0.00 0.00 0.00 179.25 179.93 2pi2 h VAL 103 N 0.83 0.85 -0.59 0.00 2.07 -0.79 0.14 116.25 118.75 2pi2 h VAL 103 Ca 0.28 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.51 2pi2 h VAL 103 Cb 0.05 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 2pi2 h VAL 103 CO -0.12 0.10 -0.04 0.11 0.02 0.00 0.00 177.57 177.65 2pi2 h LYS 104 N 0.57 1.07 -0.53 1.57 1.57 -0.70 -2.40 116.57 117.72 2pi2 h LYS 104 Ca 0.33 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2pi2 h LYS 104 Cb 0.34 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2pi2 h LYS 104 CO -0.26 1.06 0.19 0.82 -0.57 0.00 0.00 179.45 180.69 2pi2 h ILE 105 N 0.96 1.23 -0.63 1.86 2.04 -0.74 -0.02 117.51 122.20 2pi2 h ILE 105 Ca 0.16 -0.73 0.13 0.00 1.00 0.00 0.00 64.86 65.42 2pi2 h ILE 105 Cb 0.60 0.72 -0.10 0.00 -0.74 0.00 0.00 36.82 37.30 2pi2 h ILE 105 CO 0.04 0.27 0.07 0.40 0.00 0.00 0.00 178.15 178.93 2pi2 h ILE 106 N 0.71 0.54 0.00 -0.67 2.04 -0.47 -0.11 117.51 119.55 2pi2 h ILE 106 Ca 0.17 -0.06 -0.11 0.00 1.00 0.00 0.00 64.86 65.86 2pi2 h ILE 106 Cb 0.24 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 2pi2 h ILE 106 CO -0.01 0.03 -0.51 0.45 0.00 0.00 0.00 178.15 178.11 2pi2 h HIS 107 N 0.18 0.00 0.00 1.37 3.86 -1.07 -3.09 115.15 116.39 2pi2 h HIS 107 Ca 0.33 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.45 2pi2 h HIS 107 Cb 0.54 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 2pi2 h HIS 107 CO -0.31 0.51 -0.46 -0.44 0.86 0.00 0.00 177.93 178.09 2pi2 h ASP 108 N 0.00 0.00 -2.12 2.45 3.32 -0.54 -3.39 116.42 116.14 2pi2 h ASP 108 Ca -0.01 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.51 2pi2 h ASP 108 Cb 1.33 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.47 2pi2 h ASP 108 CO 0.07 0.46 -0.92 0.49 -1.72 0.00 0.00 179.24 177.61 2pi2 n PHE 109 N -3.36 2.14 0.26 4.55 3.01 -0.10 -4.93 117.46 119.03 2pi2 n PHE 109 Ca 0.01 -3.89 0.09 0.00 1.01 0.00 0.00 57.45 54.67 2pi2 n PHE 109 Cb 0.64 -0.45 0.65 0.00 -0.01 0.00 0.00 39.48 40.30 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 2.98 0.00 -0.07 -1.08 0.13 -1.75 -1.07 132.00 131.14 2pi2 h PRO 110 Ca 0.11 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.26 2pi2 h PRO 110 Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 2pi2 h PRO 110 CO 0.66 0.06 0.09 -0.56 -0.23 0.00 0.00 178.00 178.02 2pi2 h GLN 111 N 0.00 0.00 -0.25 0.86 -0.00 -1.91 -2.30 115.11 111.51 2pi2 h GLN 111 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2pi2 h GLN 111 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.59 2pi2 h GLN 111 CO 0.01 0.00 0.00 1.19 -0.00 0.00 0.00 178.83 180.03 2pi2 n PHE 112 N -3.65 0.32 -2.89 0.06 0.99 -0.42 -4.71 117.46 107.17 2pi2 n PHE 112 Ca -0.01 -0.35 -0.11 0.00 -0.00 0.00 0.00 57.45 56.98 2pi2 n PHE 112 Cb 0.19 -0.02 -0.00 0.00 -1.00 0.00 0.00 39.48 38.65 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 0.55 -2.94 -2.38 1.38 9.36 -0.88 -5.13 117.16 117.13 2pi2 n TYR 113 Ca 0.10 -1.98 -0.36 0.00 3.32 0.00 0.00 57.90 58.98 2pi2 n TYR 113 Cb 0.38 1.16 -0.02 0.00 -0.63 0.00 0.00 39.34 40.23 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 0.50 3.78 -0.53 2.98 0.02 -1.14 -4.67 135.00 135.95 2pi2 s PRO 114 Ca 0.32 1.61 -0.21 0.00 0.02 0.00 0.00 61.00 62.73 2pi2 s PRO 114 Cb 0.09 -2.30 0.05 0.00 0.02 0.00 0.00 34.50 32.36 2pi2 s PRO 114 CO -0.14 -0.49 0.77 -1.17 -0.33 0.00 0.00 177.00 175.64 2pi2 s LEU 115 N -3.17 4.57 0.00 -5.54 2.96 -1.26 -4.98 118.68 111.26 2pi2 s LEU 115 Ca 0.65 -0.65 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 2pi2 s LEU 115 Cb -0.24 -2.62 0.00 0.00 0.50 0.00 0.00 46.19 43.83 2pi2 s LEU 115 CO 0.29 -1.04 0.00 0.61 -1.32 0.00 0.00 176.35 174.88 2pi2 n GLY 116 N 5.15 -1.47 0.08 7.98 0.00 -1.26 -4.41 105.19 111.25 2pi2 n GLY 116 Ca -0.03 -1.23 -0.11 0.00 0.00 0.00 0.00 46.02 44.65 2pi2 n GLY 116 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2pi2 h ILE 117 N 0.00 1.28 0.14 -0.61 3.07 -1.98 -3.40 117.51 116.02 2pi2 h ILE 117 Ca 0.00 -1.78 -0.23 0.00 1.55 0.00 0.00 64.86 64.40 2pi2 h ILE 117 Cb 0.00 2.33 0.03 0.00 -0.27 0.00 0.00 36.82 38.91 2pi2 h ILE 117 CO 0.00 0.40 -1.00 0.58 -1.05 0.00 0.00 178.15 177.09 2pi2 h VAL 118 N -0.93 1.42 -0.15 0.16 2.07 -2.02 -3.52 116.25 113.27 2pi2 h VAL 118 Ca -0.00 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.02 2pi2 h VAL 118 Cb 0.69 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 2pi2 h VAL 118 CO 0.01 0.73 0.00 0.00 0.02 0.00 0.00 177.57 178.32 2pi2 n GLN 119 N -4.00 3.15 0.00 1.57 6.02 -1.26 -4.77 117.38 118.09 2pi2 n GLN 119 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 2pi2 n GLN 119 Cb 0.89 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.15 2pi2 n GLN 119 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63