#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pi2 s ASP 3 N 0.00 5.36 -0.22 4.52 2.15 -1.26 -4.89 116.67 122.33 2pi2 s ASP 3 Ca 0.00 0.72 0.01 0.00 0.43 0.00 0.00 52.55 53.72 2pi2 s ASP 3 Cb 0.00 -2.52 0.29 0.00 -0.30 0.00 0.00 42.92 40.39 2pi2 s ASP 3 CO 0.00 -2.23 1.53 1.15 -0.17 0.00 0.00 175.17 175.44 2pi2 n MET 4 N 8.93 1.61 0.28 4.34 0.00 -1.26 -4.31 117.12 126.71 2pi2 n MET 4 Ca 0.23 -1.41 0.15 0.00 0.00 0.00 0.00 57.70 56.68 2pi2 n MET 4 Cb 0.51 -1.55 0.79 0.00 0.00 0.00 0.00 33.22 32.96 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 0.63 0.00 -0.52 3.17 2.86 -1.99 -2.82 114.93 116.26 2pi2 h MET 5 Ca 0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 2pi2 h MET 5 Cb 1.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.36 2pi2 h MET 5 CO 0.55 0.08 0.00 -0.25 1.06 0.00 0.00 176.91 178.35 2pi2 n ASP 6 N -3.42 2.75 -4.26 1.22 8.00 -1.26 -4.90 116.55 114.68 2pi2 n ASP 6 Ca -0.01 -2.11 -0.17 0.00 0.71 0.00 0.00 54.79 53.21 2pi2 n ASP 6 Cb 0.23 -0.37 -0.11 0.00 -0.02 0.00 0.00 41.12 40.86 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 -1.13 2.46 0.39 0.64 1.43 -1.07 -5.13 118.68 116.27 2pi2 s LEU 7 Ca 0.32 -0.90 -0.27 0.00 -1.03 0.00 0.00 54.13 52.25 2pi2 s LEU 7 Cb 0.18 -0.53 -0.09 0.00 0.03 0.00 0.00 46.19 45.78 2pi2 s LEU 7 CO 0.19 -0.19 1.29 -2.84 0.23 0.00 0.00 176.35 175.02 2pi2 s PRO 8 N -3.12 4.07 -0.09 1.29 0.02 -1.26 -5.03 135.00 130.88 2pi2 s PRO 8 Ca 0.13 2.13 0.03 0.00 0.02 0.00 0.00 61.00 63.31 2pi2 s PRO 8 Cb -0.02 -2.82 0.01 0.00 0.02 0.00 0.00 34.50 31.69 2pi2 s PRO 8 CO 0.03 -0.40 -0.16 1.03 -0.33 0.00 0.00 177.00 177.17 2pi2 s ARG 9 N -2.14 2.21 -0.02 5.54 0.52 -1.26 -4.73 118.95 119.07 2pi2 s ARG 9 Ca 0.55 -0.58 -0.28 0.00 -0.52 0.00 0.00 55.73 54.90 2pi2 s ARG 9 Cb -0.37 -1.79 -0.03 0.00 0.52 0.00 0.00 34.95 33.27 2pi2 s ARG 9 CO 0.49 0.04 0.89 0.45 0.02 0.00 0.00 175.30 177.18 2pi2 s SER 10 N 0.69 7.24 -0.33 0.23 0.15 -0.89 -4.61 113.70 116.17 2pi2 s SER 10 Ca -0.13 1.50 -0.29 0.00 0.70 0.00 0.00 55.95 57.73 2pi2 s SER 10 Cb -0.16 -2.52 0.01 0.00 -1.71 0.00 0.00 66.02 61.64 2pi2 s SER 10 CO 0.03 -0.21 1.19 -0.13 1.20 0.00 0.00 173.24 175.32 2pi2 s ARG 11 N 0.95 3.95 0.38 5.44 0.52 -1.26 0.38 118.95 129.31 2pi2 s ARG 11 Ca 0.47 1.08 0.05 0.00 -0.52 0.00 0.00 55.73 56.81 2pi2 s ARG 11 Cb -0.20 -3.82 -0.06 0.00 0.52 0.00 0.00 34.95 31.38 2pi2 s ARG 11 CO 0.25 -1.07 0.04 0.96 0.02 0.00 0.00 175.30 175.50 2pi2 s ILE 12 N 4.09 1.47 0.44 1.52 -4.36 -0.87 -4.93 121.20 118.56 2pi2 s ILE 12 Ca 0.51 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.91 2pi2 s ILE 12 Cb -0.13 -2.79 0.01 0.00 1.25 0.00 0.00 42.46 40.79 2pi2 s ILE 12 CO 0.21 0.00 0.08 -0.46 0.24 0.00 0.00 174.94 175.01 2pi2 n ASN 13 N -0.89 3.05 0.01 4.36 0.23 -1.26 -4.41 115.26 116.35 2pi2 n ASN 13 Ca -0.05 -2.85 -0.03 0.00 -0.53 0.00 0.00 54.58 51.12 2pi2 n ASN 13 Cb 0.67 0.23 0.21 0.00 -2.08 0.00 0.00 39.78 38.81 2pi2 n ASN 13 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2pi2 h ALA 14 N 1.10 1.13 0.00 -2.53 0.00 -1.89 -2.38 119.26 114.69 2pi2 h ALA 14 Ca -0.35 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2pi2 h ALA 14 Cb 1.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2pi2 h ALA 14 CO 0.57 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.77 2pi2 n GLY 15 N -0.46 -0.66 0.00 0.00 0.00 -1.26 -2.24 105.19 100.58 2pi2 n GLY 15 Ca 0.00 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.19 1.29 -0.30 1.61 2.81 -0.90 -4.61 117.12 115.83 2pi2 n MET 16 Ca 0.08 -0.00 0.04 0.00 -1.81 0.00 0.00 57.70 56.01 2pi2 n MET 16 Cb 0.09 -1.32 0.19 0.00 -0.71 0.00 0.00 33.22 31.48 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 0.70 -1.22 4.03 3.38 -1.49 -0.97 115.31 119.73 2pi2 h LEU 17 Ca 0.00 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2pi2 h LEU 17 Cb 0.41 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2pi2 h LEU 17 CO 0.00 0.38 -0.20 0.00 0.09 0.00 0.00 178.44 178.71 2pi2 h ALA 18 N 1.49 1.05 0.00 1.53 0.00 -1.81 -2.50 119.26 119.01 2pi2 h ALA 18 Ca 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2pi2 h ALA 18 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2pi2 h ALA 18 CO -0.27 0.25 -0.24 1.04 0.00 0.00 0.00 179.25 180.04 2pi2 n GLN 19 N -3.40 0.06 -0.34 0.00 6.02 -0.40 -4.18 117.38 115.14 2pi2 n GLN 19 Ca -0.00 0.03 0.08 0.00 -0.01 0.00 0.00 57.00 57.10 2pi2 n GLN 19 Cb 0.40 -1.55 0.17 0.00 1.02 0.00 0.00 30.24 30.28 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 -1.65 0.00 -1.64 1.08 3.01 -0.95 -5.05 117.46 112.26 2pi2 n PHE 20 Ca 0.06 -1.24 -0.47 0.00 1.01 0.00 0.00 57.45 56.81 2pi2 n PHE 20 Cb 0.36 -0.20 -0.04 0.00 -0.01 0.00 0.00 39.48 39.59 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 -1.27 0.48 -0.87 4.37 2.08 -1.20 -1.43 119.36 121.52 2pi2 n ILE 21 Ca 0.17 -0.12 0.00 0.00 0.56 0.00 0.00 62.75 63.36 2pi2 n ILE 21 Cb 0.67 -1.25 0.00 0.00 -0.75 0.00 0.00 39.64 38.30 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 2.57 -2.41 -4.91 4.38 2.03 0.41 -4.96 116.55 113.66 2pi2 n ASP 22 Ca 0.15 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.14 2pi2 n ASP 22 Cb 0.27 -1.79 -0.04 0.00 -0.72 0.00 0.00 41.12 38.84 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 -0.84 3.54 0.14 -0.67 1.02 -0.51 -4.80 119.74 117.61 2pi2 s LYS 23 Ca 0.00 -0.24 -0.30 0.00 0.02 0.00 0.00 55.97 55.45 2pi2 s LYS 23 Cb 0.00 -2.95 -0.07 0.00 -0.52 0.00 0.00 37.83 34.28 2pi2 s LYS 23 CO 0.00 0.55 1.26 -2.14 -0.92 0.00 0.00 175.35 174.10 2pi2 s PRO 24 N -2.50 4.42 0.20 -1.68 0.02 -1.26 -2.22 135.00 131.98 2pi2 s PRO 24 Ca 0.37 1.92 0.01 0.00 0.02 0.00 0.00 61.00 63.33 2pi2 s PRO 24 Cb -0.13 -3.26 -0.05 0.00 0.02 0.00 0.00 34.50 31.08 2pi2 s PRO 24 CO 0.25 -0.25 0.05 0.14 -0.33 0.00 0.00 177.00 176.86 2pi2 s VAL 25 N 0.57 0.58 -0.22 3.83 -7.23 0.28 -2.10 120.40 116.11 2pi2 s VAL 25 Ca 0.58 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.75 2pi2 s VAL 25 Cb -0.33 -2.33 0.06 0.00 0.56 0.00 0.00 36.38 34.34 2pi2 s VAL 25 CO 0.33 -0.28 -0.00 0.00 -0.31 0.00 0.00 175.10 174.84 2pi2 s PHE 27 N 1.62 3.14 -0.20 0.00 5.36 0.11 -2.05 117.98 125.97 2pi2 s PHE 27 Ca -0.03 -1.02 -0.10 0.00 -0.96 0.00 0.00 56.93 54.82 2pi2 s PHE 27 Cb -0.18 -2.23 -0.05 0.00 -0.34 0.00 0.00 43.02 40.22 2pi2 s PHE 27 CO -0.08 -0.59 0.13 0.08 -1.46 0.00 0.00 175.22 173.31 2pi2 s VAL 28 N 1.48 5.41 0.21 3.12 1.01 -1.26 -0.46 120.40 129.91 2pi2 s VAL 28 Ca 0.02 0.20 -0.22 0.00 0.00 0.00 0.00 61.98 61.98 2pi2 s VAL 28 Cb -0.17 -3.47 0.06 0.00 0.00 0.00 0.00 36.38 32.80 2pi2 s VAL 28 CO 0.02 0.45 0.94 -0.83 0.00 0.00 0.00 175.10 175.68 2pi2 s GLY 29 N 0.31 -0.02 -0.16 4.51 0.00 -0.58 -4.66 107.32 106.73 2pi2 s GLY 29 Ca 0.08 -0.19 -0.18 0.00 0.00 0.00 0.00 44.72 44.43 2pi2 s GLY 29 CO -0.02 0.74 0.51 -1.60 0.00 0.00 0.00 173.10 172.74 2pi2 s ARG 30 N -2.82 4.25 -0.07 2.90 3.52 -0.39 -0.68 118.95 125.66 2pi2 s ARG 30 Ca 0.16 0.44 -0.29 0.00 -0.13 0.00 0.00 55.73 55.91 2pi2 s ARG 30 Cb -0.03 -3.51 -0.07 0.00 -1.56 0.00 0.00 34.95 29.78 2pi2 s ARG 30 CO 0.05 -0.03 2.09 -0.11 -0.81 0.00 0.00 175.30 176.49 2pi2 n LEU 31 N 4.34 3.79 -0.08 -0.88 7.94 0.27 -1.60 117.00 130.79 2pi2 n LEU 31 Ca -0.05 0.60 -0.20 0.00 -1.11 0.00 0.00 56.01 55.25 2pi2 n LEU 31 Cb 0.51 -1.54 -0.13 0.00 0.53 0.00 0.00 43.42 42.79 2pi2 n LEU 31 CO 0.43 -0.18 -1.12 -0.62 -1.11 0.00 0.00 177.39 174.79 2pi2 n GLU 32 N 8.07 0.69 -3.63 1.96 -0.58 0.26 -4.63 120.64 122.77 2pi2 n GLU 32 Ca 0.24 0.21 -0.12 0.00 -0.42 0.00 0.00 57.16 57.07 2pi2 n GLU 32 Cb 0.43 -1.60 -0.07 0.00 -0.57 0.00 0.00 31.44 29.63 2pi2 n GLU 32 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2pi2 s LYS 33 N -2.53 0.80 -0.15 3.49 2.20 -1.20 -4.97 119.74 117.37 2pi2 s LYS 33 Ca -0.30 1.06 -0.02 0.00 -0.36 0.00 0.00 55.97 56.35 2pi2 s LYS 33 Cb 0.08 0.33 -0.02 0.00 -1.51 0.00 0.00 37.83 36.71 2pi2 s LYS 33 CO 0.66 -0.11 -0.08 0.42 -0.36 0.00 0.00 175.35 175.88 2pi2 s ILE 34 N 0.74 3.43 0.44 5.43 1.01 -1.26 -0.57 121.20 130.42 2pi2 s ILE 34 Ca -0.03 -0.52 -0.25 0.00 0.00 0.00 0.00 60.65 59.85 2pi2 s ILE 34 Cb -0.05 -2.48 -0.08 0.00 0.01 0.00 0.00 42.46 39.86 2pi2 s ILE 34 CO -0.05 0.50 1.40 -2.28 0.00 0.00 0.00 174.94 174.51 2pi2 s HIS 35 N 0.51 2.52 0.47 3.97 5.65 -0.17 -4.91 115.29 123.33 2pi2 s HIS 35 Ca -0.06 1.30 0.23 0.00 0.25 0.00 0.00 55.06 56.78 2pi2 s HIS 35 Cb -0.15 -3.87 1.25 0.00 -1.18 0.00 0.00 32.58 28.64 2pi2 s HIS 35 CO 0.03 -2.77 1.88 -1.00 -0.65 0.00 0.00 174.74 172.24 2pi2 h PRO 36 N 2.37 0.22 0.00 2.88 0.13 -2.00 0.23 132.00 135.83 2pi2 h PRO 36 Ca -0.51 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.57 2pi2 h PRO 36 Cb 1.26 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2pi2 h PRO 36 CO 0.61 0.14 -0.18 1.79 -0.23 0.00 0.00 178.00 180.13 2pi2 h THR 37 N 0.22 0.59 0.00 1.56 1.35 -1.93 -3.47 112.91 111.24 2pi2 h THR 37 Ca 0.43 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2pi2 h THR 37 Cb 1.32 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 2pi2 h THR 37 CO -0.10 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 2pi2 n GLY 38 N -0.29 0.50 1.13 5.82 0.00 0.81 -4.76 105.19 108.40 2pi2 n GLY 38 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.58 2.70 -3.67 1.61 5.02 -1.26 -0.35 118.16 119.63 2pi2 n LYS 39 Ca 0.00 -2.44 -0.15 0.00 -2.02 0.00 0.00 58.31 53.71 2pi2 n LYS 39 Cb 0.04 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.49 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 -1.05 0.75 0.17 1.97 1.75 -1.26 -1.34 119.30 120.29 2pi2 s MET 40 Ca 0.41 0.24 -0.10 0.00 -1.25 0.00 0.00 55.69 54.98 2pi2 s MET 40 Cb 0.21 0.35 -0.00 0.00 2.84 0.00 0.00 34.83 38.23 2pi2 s MET 40 CO 0.28 -0.19 0.32 -0.59 -0.65 0.00 0.00 175.02 174.20 2pi2 s PHE 41 N -0.76 0.34 -0.11 4.11 -0.12 -0.15 -1.00 117.98 120.29 2pi2 s PHE 41 Ca -0.08 -0.70 0.02 0.00 -0.05 0.00 0.00 56.93 56.11 2pi2 s PHE 41 Cb -0.03 0.01 -0.01 0.00 -0.63 0.00 0.00 43.02 42.36 2pi2 s PHE 41 CO 0.05 -0.76 -0.18 0.42 -0.05 0.00 0.00 175.22 174.70 2pi2 s ILE 42 N -3.96 2.64 -0.03 -4.49 -1.09 0.27 -0.25 121.20 114.28 2pi2 s ILE 42 Ca 0.17 -0.82 0.05 0.00 -2.23 0.00 0.00 60.65 57.82 2pi2 s ILE 42 Cb 0.03 -2.07 -0.03 0.00 -1.58 0.00 0.00 42.46 38.81 2pi2 s ILE 42 CO 0.00 0.54 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.33 2pi2 s LEU 43 N 0.28 2.60 -0.14 2.97 1.43 -0.27 -0.57 118.68 124.98 2pi2 s LEU 43 Ca -0.13 -0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 52.64 2pi2 s LEU 43 Cb -0.16 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 2pi2 s LEU 43 CO 0.07 0.33 0.09 -0.94 0.23 0.00 0.00 176.35 176.13 2pi2 s SER 44 N -0.80 5.94 0.93 2.29 1.04 -0.62 0.55 113.70 123.02 2pi2 s SER 44 Ca 0.12 0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.71 2pi2 s SER 44 Cb -0.10 -1.92 0.18 0.00 0.10 0.00 0.00 66.02 64.28 2pi2 s SER 44 CO 0.01 0.32 1.11 -0.90 0.98 0.00 0.00 173.24 174.76 2pi2 n ASP 45 N 2.57 0.36 0.00 7.02 5.68 0.81 -1.26 116.55 131.72 2pi2 n ASP 45 Ca -0.18 -1.57 0.06 0.00 -0.50 0.00 0.00 54.79 52.60 2pi2 n ASP 45 Cb 0.54 -0.82 0.36 0.00 -1.14 0.00 0.00 41.12 40.06 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 -2.49 -0.54 0.97 6.12 0.00 -1.26 -0.92 105.19 107.07 2pi2 n GLY 46 Ca 0.15 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.12 2.29 -1.41 1.61 1.02 -1.26 -4.43 120.64 117.34 2pi2 n GLU 47 Ca 0.08 -2.10 -0.09 0.00 -0.02 0.00 0.00 57.16 55.03 2pi2 n GLU 47 Cb 0.07 -1.43 -0.04 0.00 -0.02 0.00 0.00 31.44 30.03 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 1.19 0.94 3.80 0.62 0.00 -0.10 -5.02 105.19 106.63 2pi2 n GLY 48 Ca 0.16 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.05 3.19 0.06 1.61 -0.14 -1.26 -4.79 119.74 115.37 2pi2 s LYS 49 Ca 0.00 -0.34 -0.16 0.00 -1.36 0.00 0.00 55.97 54.11 2pi2 s LYS 49 Cb 0.00 -2.97 -0.06 0.00 -1.68 0.00 0.00 37.83 33.12 2pi2 s LYS 49 CO 0.00 0.70 0.50 -0.80 -0.76 0.00 0.00 175.35 174.99 2pi2 s ASN 50 N -1.32 6.90 -0.08 2.83 0.01 -1.26 -0.13 114.94 121.88 2pi2 s ASN 50 Ca 0.18 1.09 0.04 0.00 -0.71 0.00 0.00 52.86 53.47 2pi2 s ASN 50 Cb -0.12 -2.29 -0.01 0.00 0.41 0.00 0.00 41.25 39.24 2pi2 s ASN 50 CO 0.08 0.25 -0.23 -0.83 -1.51 0.00 0.00 177.10 174.87 2pi2 s GLY 51 N -1.26 1.35 -0.15 0.66 0.00 0.19 -4.87 107.32 103.24 2pi2 s GLY 51 Ca 0.29 -1.00 -0.20 0.00 0.00 0.00 0.00 44.72 43.81 2pi2 s GLY 51 CO 0.17 -0.47 0.59 -1.59 0.00 0.00 0.00 173.10 171.79 2pi2 s THR 52 N 0.08 5.08 -0.19 0.90 2.01 -1.26 -1.11 115.64 121.15 2pi2 s THR 52 Ca -0.10 1.14 -0.03 0.00 0.31 0.00 0.00 61.69 63.01 2pi2 s THR 52 Cb -0.16 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 2pi2 s THR 52 CO 0.06 0.20 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.49 2pi2 s ILE 53 N 1.34 3.32 0.06 1.82 -1.09 0.65 -1.09 121.20 126.21 2pi2 s ILE 53 Ca 0.29 -0.53 0.03 0.00 -2.23 0.00 0.00 60.65 58.20 2pi2 s ILE 53 Cb -0.16 -2.47 -0.04 0.00 -1.58 0.00 0.00 42.46 38.21 2pi2 s ILE 53 CO 0.12 0.46 0.05 -1.61 -1.23 0.00 0.00 174.94 172.73 2pi2 s GLU 54 N 1.03 2.82 0.12 2.79 2.02 0.12 -0.97 118.70 126.62 2pi2 s GLU 54 Ca 0.00 -0.69 0.08 0.00 0.02 0.00 0.00 54.97 54.38 2pi2 s GLU 54 Cb -0.15 -2.70 -0.04 0.00 0.10 0.00 0.00 34.13 31.35 2pi2 s GLU 54 CO -0.00 0.58 -0.18 -0.51 0.02 0.00 0.00 175.26 175.16 2pi2 s LEU 55 N -2.19 2.35 0.06 1.80 1.43 -0.45 -0.31 118.68 121.37 2pi2 s LEU 55 Ca 0.27 -0.75 -0.09 0.00 -1.03 0.00 0.00 54.13 52.53 2pi2 s LEU 55 Cb -0.12 -0.78 -0.30 0.00 0.03 0.00 0.00 46.19 45.02 2pi2 s LEU 55 CO 0.19 -0.01 1.10 0.24 0.23 0.00 0.00 176.35 178.09 2pi2 h MET 56 N 3.77 0.38 -6.80 1.70 2.86 -1.86 -3.46 114.93 111.52 2pi2 h MET 56 Ca -0.43 -0.64 -0.69 0.00 -2.06 0.00 0.00 59.70 55.88 2pi2 h MET 56 Cb 1.19 0.24 -0.24 0.00 0.06 0.00 0.00 31.60 32.85 2pi2 h MET 56 CO 0.45 1.30 -0.87 -1.21 1.06 0.00 0.00 176.91 177.63 2pi2 s GLU 57 N -2.66 1.58 0.75 1.72 8.01 -1.26 -5.10 118.70 121.73 2pi2 s GLU 57 Ca -0.06 -1.23 -0.15 0.00 0.01 0.00 0.00 54.97 53.54 2pi2 s GLU 57 Cb 0.06 -1.92 0.02 0.00 -4.31 0.00 0.00 34.13 27.98 2pi2 s GLU 57 CO 0.91 0.47 0.98 -2.30 0.01 0.00 0.00 175.26 175.34 2pi2 n PRO 58 N 1.32 0.39 -1.79 0.39 -0.02 -1.26 -4.77 135.00 129.27 2pi2 n PRO 58 Ca -0.17 0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 61.08 2pi2 n PRO 58 Cb 0.53 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 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 -3.53 4.36 0.00 2.45 1.43 0.52 -4.91 118.68 119.00 2pi2 s LEU 59 Ca 0.72 2.89 0.24 0.00 -1.03 0.00 0.00 54.13 56.95 2pi2 s LEU 59 Cb -0.33 -3.62 0.36 0.00 0.03 0.00 0.00 46.19 42.63 2pi2 s LEU 59 CO 0.51 -0.92 1.31 -0.90 0.23 0.00 0.00 176.35 176.59 2pi2 n ASP 60 N 2.90 0.90 -4.01 2.29 5.75 -1.26 -4.90 116.55 118.22 2pi2 n ASP 60 Ca 0.11 -0.70 -0.10 0.00 -0.01 0.00 0.00 54.79 54.09 2pi2 n ASP 60 Cb 0.37 0.40 -0.11 0.00 -1.03 0.00 0.00 41.12 40.75 2pi2 n ASP 60 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 2pi2 s GLU 61 N -2.82 0.38 0.19 0.11 -1.05 -1.26 -5.13 118.70 109.12 2pi2 s GLU 61 Ca 0.14 -0.69 -0.30 0.00 -0.15 0.00 0.00 54.97 53.98 2pi2 s GLU 61 Cb 0.18 0.02 -0.08 0.00 -0.44 0.00 0.00 34.13 33.81 2pi2 s GLU 61 CO 0.68 -0.03 1.16 -2.00 0.95 0.00 0.00 175.26 176.01 2pi2 s GLU 62 N -1.67 4.54 0.17 -4.83 2.12 -1.26 -5.05 118.70 112.73 2pi2 s GLU 62 Ca -0.13 1.81 0.09 0.00 0.36 0.00 0.00 54.97 57.11 2pi2 s GLU 62 Cb -0.09 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 2pi2 s GLU 62 CO -0.01 -0.01 -0.11 0.96 -0.54 0.00 0.00 175.26 175.54 2pi2 s ILE 63 N -0.20 3.11 0.24 -3.70 -4.36 -1.26 -5.14 121.20 109.89 2pi2 s ILE 63 Ca 0.51 -1.66 -0.22 0.00 -0.26 0.00 0.00 60.65 59.03 2pi2 s ILE 63 Cb -0.31 -2.53 0.04 0.00 1.25 0.00 0.00 42.46 40.91 2pi2 s ILE 63 CO 0.36 -0.09 0.67 -0.94 0.24 0.00 0.00 174.94 175.19 2pi2 s SER 64 N -2.74 -0.36 0.31 4.36 1.04 -1.26 -5.02 113.70 110.02 2pi2 s SER 64 Ca 0.24 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.27 2pi2 s SER 64 Cb -0.09 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2pi2 s SER 64 CO 0.14 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.76 2pi2 n GLY 65 N -0.43 1.10 3.67 7.32 0.00 -1.26 -4.69 105.19 110.90 2pi2 n GLY 65 Ca -0.09 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 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 5.03 -0.07 -0.61 -1.09 -1.26 -0.56 121.20 122.64 2pi2 s ILE 66 Ca 0.00 1.21 0.03 0.00 -2.23 0.00 0.00 60.65 59.67 2pi2 s ILE 66 Cb 0.00 -3.95 0.01 0.00 -1.58 0.00 0.00 42.46 36.93 2pi2 s ILE 66 CO 0.00 0.14 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.00 2pi2 s VAL 67 N 1.70 1.42 -0.32 2.92 1.01 0.14 -1.00 120.40 126.28 2pi2 s VAL 67 Ca 0.30 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 2pi2 s VAL 67 Cb -0.16 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 2pi2 s VAL 67 CO 0.11 0.42 0.16 -0.70 0.00 0.00 0.00 175.10 175.09 2pi2 s GLU 68 N 0.42 3.34 -0.15 2.72 2.12 0.58 -1.52 118.70 126.21 2pi2 s GLU 68 Ca -0.13 -0.72 -0.05 0.00 0.36 0.00 0.00 54.97 54.43 2pi2 s GLU 68 Cb -0.15 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.61 2pi2 s GLU 68 CO 0.04 -0.43 0.02 0.08 -0.54 0.00 0.00 175.26 174.44 2pi2 s VAL 69 N 1.62 4.47 -0.16 3.70 1.01 0.39 -0.91 120.40 130.53 2pi2 s VAL 69 Ca 0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 2pi2 s VAL 69 Cb -0.17 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 2pi2 s VAL 69 CO 0.07 0.52 0.01 -0.69 0.00 0.00 0.00 175.10 175.00 2pi2 s VAL 70 N -0.06 4.30 0.00 2.92 1.01 0.11 -0.71 120.40 127.97 2pi2 s VAL 70 Ca 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 2pi2 s VAL 70 Cb -0.12 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2pi2 s VAL 70 CO 0.02 0.49 0.04 0.61 0.00 0.00 0.00 175.10 176.26 2pi2 n GLY 71 N 3.37 0.89 3.42 4.51 0.00 -1.01 0.09 105.19 116.48 2pi2 n GLY 71 Ca -0.17 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.00 3.23 0.14 1.61 3.52 -0.80 -0.56 118.95 124.10 2pi2 s ARG 72 Ca 0.01 -0.65 -0.31 0.00 -0.13 0.00 0.00 55.73 54.64 2pi2 s ARG 72 Cb -0.00 -2.63 -0.09 0.00 -1.56 0.00 0.00 34.95 30.67 2pi2 s ARG 72 CO 0.00 0.32 1.57 0.08 -0.81 0.00 0.00 175.30 176.46 2pi2 s VAL 73 N 0.08 2.80 0.79 7.11 1.01 -0.94 -1.16 120.40 130.09 2pi2 s VAL 73 Ca -0.04 0.51 -0.11 0.00 0.00 0.00 0.00 61.98 62.33 2pi2 s VAL 73 Cb -0.14 -3.33 0.07 0.00 0.00 0.00 0.00 36.38 32.98 2pi2 s VAL 73 CO 0.04 0.03 1.16 0.42 0.00 0.00 0.00 175.10 176.75 2pi2 s THR 74 N 1.49 2.10 0.46 3.92 -4.23 0.75 -0.45 115.64 119.68 2pi2 s THR 74 Ca 0.70 -0.01 0.21 0.00 -1.18 0.00 0.00 61.69 61.41 2pi2 s THR 74 Cb -0.42 -3.02 0.40 0.00 1.34 0.00 0.00 72.50 70.80 2pi2 s THR 74 CO 0.31 -0.03 1.90 0.00 -0.54 0.00 0.00 174.62 176.26 2pi2 h ALA 75 N -0.99 2.36 -0.26 3.99 0.00 -1.95 -1.35 119.26 121.07 2pi2 h ALA 75 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2pi2 h ALA 75 Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2pi2 h ALA 75 CO 0.65 -0.60 0.00 1.63 0.00 0.00 0.00 179.25 180.93 2pi2 n LYS 76 N -4.43 1.65 -2.70 0.00 5.02 -1.26 -4.93 118.16 111.51 2pi2 n LYS 76 Ca 0.16 -1.01 -0.17 0.00 -2.02 0.00 0.00 58.31 55.28 2pi2 n LYS 76 Cb 0.70 -1.26 0.02 0.00 -0.02 0.00 0.00 35.03 34.47 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 0.29 -0.68 -2.24 7.82 0.00 -0.51 -5.03 120.51 120.17 2pi2 n ALA 77 Ca 0.11 0.20 -0.23 0.00 0.00 0.00 0.00 53.44 53.53 2pi2 n ALA 77 Cb 0.25 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 16.91 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 -2.98 2.14 -0.18 0.00 -4.23 -1.26 -4.76 115.64 104.37 2pi2 s THR 78 Ca 0.17 -1.31 -0.01 0.00 -1.18 0.00 0.00 61.69 59.37 2pi2 s THR 78 Cb -0.08 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.32 2pi2 s THR 78 CO 0.21 0.00 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.54 2pi2 s ILE 79 N -2.64 2.78 -0.51 2.99 1.01 -0.25 -0.18 121.20 124.41 2pi2 s ILE 79 Ca 0.46 -0.71 -0.28 0.00 0.00 0.00 0.00 60.65 60.12 2pi2 s ILE 79 Cb -0.04 -2.21 0.03 0.00 0.01 0.00 0.00 42.46 40.26 2pi2 s ILE 79 CO 0.28 0.49 1.12 -0.22 0.00 0.00 0.00 174.94 176.62 2pi2 s LEU 80 N 1.13 3.64 -0.07 2.97 2.96 -0.31 0.10 118.68 129.10 2pi2 s LEU 80 Ca 0.01 0.29 -0.30 0.00 -0.22 0.00 0.00 54.13 53.91 2pi2 s LEU 80 Cb -0.14 -3.37 -0.02 0.00 0.50 0.00 0.00 46.19 43.16 2pi2 s LEU 80 CO -0.04 -1.30 1.01 0.00 -1.32 0.00 0.00 176.35 174.70 2pi2 n THR 82 N 4.38 0.55 -3.59 0.00 -2.24 0.11 -4.65 114.28 108.84 2pi2 n THR 82 Ca 0.08 -0.57 -0.10 0.00 -2.27 0.00 0.00 64.05 61.19 2pi2 n THR 82 Cb 0.49 -0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 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 -4.61 -0.44 0.03 3.42 1.04 -0.96 -5.02 113.70 107.15 2pi2 s SER 83 Ca -0.08 -0.23 -0.17 0.00 0.48 0.00 0.00 55.95 55.94 2pi2 s SER 83 Cb 0.09 0.63 0.03 0.00 0.10 0.00 0.00 66.02 66.88 2pi2 s SER 83 CO 0.75 -1.09 0.39 -0.72 0.98 0.00 0.00 173.24 173.56 2pi2 s TYR 84 N -3.81 -0.24 -0.05 5.02 -0.85 -1.26 0.05 117.35 116.20 2pi2 s TYR 84 Ca 0.05 0.23 0.03 0.00 -0.52 0.00 0.00 57.07 56.86 2pi2 s TYR 84 Cb -0.02 0.19 0.00 0.00 0.38 0.00 0.00 41.96 42.51 2pi2 s TYR 84 CO -0.06 -0.54 -0.15 0.08 -1.52 0.00 0.00 175.55 173.36 2pi2 s VAL 85 N -2.28 1.28 -0.17 -3.49 1.01 -0.08 -4.98 120.40 111.68 2pi2 s VAL 85 Ca -0.07 -0.60 -0.26 0.00 0.00 0.00 0.00 61.98 61.05 2pi2 s VAL 85 Cb -0.01 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 2pi2 s VAL 85 CO -0.01 0.38 0.86 -1.10 0.00 0.00 0.00 175.10 175.23 2pi2 s GLN 86 N 0.30 4.30 -0.12 2.72 -0.21 -1.26 -0.31 119.66 125.08 2pi2 s GLN 86 Ca -0.08 1.07 -0.30 0.00 0.02 0.00 0.00 55.36 56.07 2pi2 s GLN 86 Cb -0.13 -3.58 -0.02 0.00 1.00 0.00 0.00 33.01 30.28 2pi2 s GLN 86 CO 0.03 -0.36 1.26 -0.06 -2.12 0.00 0.00 175.29 174.04 2pi2 s PHE 87 N 2.26 2.93 0.09 0.91 0.40 -0.17 -4.99 117.98 119.41 2pi2 s PHE 87 Ca 0.39 1.04 -0.31 0.00 -0.60 0.00 0.00 56.93 57.45 2pi2 s PHE 87 Cb -0.16 -3.50 -0.06 0.00 0.51 0.00 0.00 43.02 39.80 2pi2 s PHE 87 CO 0.12 -1.69 1.25 0.15 0.70 0.00 0.00 175.22 175.76 2pi2 s LYS 88 N 3.04 4.40 -0.27 0.44 1.02 -1.26 -4.60 119.74 122.50 2pi2 s LYS 88 Ca 0.56 1.86 0.11 0.00 0.02 0.00 0.00 55.97 58.53 2pi2 s LYS 88 Cb -0.24 -3.31 0.47 0.00 -0.52 0.00 0.00 37.83 34.23 2pi2 s LYS 88 CO 0.18 -0.30 1.17 0.39 -0.92 0.00 0.00 175.35 175.88 2pi2 n GLU 89 N 3.83 2.99 0.05 1.68 1.02 -1.26 -4.85 120.64 124.10 2pi2 n GLU 89 Ca 0.09 -3.93 0.13 0.00 -0.02 0.00 0.00 57.16 53.44 2pi2 n GLU 89 Cb 0.45 -2.04 0.41 0.00 -0.02 0.00 0.00 31.44 30.24 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 -0.68 0.48 -0.06 1.62 5.68 -1.26 -4.07 116.55 118.26 2pi2 n ASP 90 Ca 0.33 0.36 -0.08 0.00 -0.50 0.00 0.00 54.79 54.90 2pi2 n ASP 90 Cb 0.92 -0.39 -0.06 0.00 -1.14 0.00 0.00 41.12 40.46 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 -1.88 3.05 -3.85 -1.12 3.41 -1.26 -5.06 113.62 106.92 2pi2 n SER 91 Ca 0.06 -0.06 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 2pi2 n SER 91 Cb 0.39 -0.12 -0.15 0.00 -0.26 0.00 0.00 64.21 64.08 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 -2.24 0.04 0.32 7.33 3.76 -1.26 -5.14 115.29 118.11 2pi2 s HIS 92 Ca -0.15 0.03 -0.29 0.00 -0.15 0.00 0.00 55.06 54.50 2pi2 s HIS 92 Cb 0.04 -0.09 -0.10 0.00 1.11 0.00 0.00 32.58 33.53 2pi2 s HIS 92 CO 0.28 -0.03 1.37 -2.14 -0.85 0.00 0.00 174.74 173.38 2pi2 s PRO 93 N 0.32 4.28 0.03 8.40 0.02 -1.26 -4.52 135.00 142.27 2pi2 s PRO 93 Ca -0.03 2.31 -0.30 0.00 0.02 0.00 0.00 61.00 63.00 2pi2 s PRO 93 Cb -0.04 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.37 2pi2 s PRO 93 CO -0.01 -0.31 1.18 0.12 -0.33 0.00 0.00 177.00 177.65 2pi2 s PHE 94 N -0.87 3.40 -0.91 6.54 5.36 -1.26 -4.98 117.98 125.25 2pi2 s PHE 94 Ca 0.52 1.31 -0.21 0.00 -0.96 0.00 0.00 56.93 57.60 2pi2 s PHE 94 Cb -0.42 -3.39 0.10 0.00 -0.34 0.00 0.00 43.02 38.97 2pi2 s PHE 94 CO 0.53 -1.18 1.20 0.34 -1.46 0.00 0.00 175.22 174.66 2pi2 s ASP 95 N 1.16 6.51 0.33 6.13 -1.08 -1.26 -4.87 116.67 123.59 2pi2 s ASP 95 Ca 0.57 -1.67 0.14 0.00 -0.52 0.00 0.00 52.55 51.08 2pi2 s ASP 95 Cb -0.28 -2.46 0.56 0.00 -1.46 0.00 0.00 42.92 39.29 2pi2 s ASP 95 CO 0.27 -1.27 1.70 0.25 0.52 0.00 0.00 175.17 176.64 2pi2 h LEU 96 N 11.32 0.00 -0.58 -1.34 5.85 -1.96 -1.82 115.31 126.78 2pi2 h LEU 96 Ca 0.09 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 2pi2 h LEU 96 Cb 1.03 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 2pi2 h LEU 96 CO 1.22 0.48 0.22 1.23 -0.34 0.00 0.00 178.44 181.24 2pi2 h GLY 97 N 1.79 0.94 1.07 3.75 0.00 -1.90 -0.89 103.07 107.85 2pi2 h GLY 97 Ca -0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 2pi2 h GLY 97 CO 0.06 0.49 0.00 -2.00 0.00 0.00 0.00 176.54 175.10 2pi2 h LEU 98 N 0.80 1.03 -0.50 3.11 5.85 -1.89 -2.64 115.31 121.08 2pi2 h LEU 98 Ca 0.19 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.63 2pi2 h LEU 98 Cb 0.22 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 2pi2 h LEU 98 CO -0.01 1.08 0.30 0.22 -0.34 0.00 0.00 178.44 179.69 2pi2 h TYR 99 N 0.95 0.56 -0.91 1.25 3.20 -1.15 -1.81 116.97 119.06 2pi2 h TYR 99 Ca 0.17 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.17 2pi2 h TYR 99 Cb 0.55 -0.18 -0.08 0.00 1.54 0.00 0.00 36.73 38.56 2pi2 h TYR 99 CO 0.04 0.33 0.55 -0.97 -1.64 0.00 0.00 178.16 176.46 2pi2 h ASN 100 N 0.60 0.79 -0.65 -2.11 -1.24 -0.98 -0.07 115.58 111.92 2pi2 h ASN 100 Ca 0.20 0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.24 2pi2 h ASN 100 Cb 0.01 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 38.92 2pi2 h ASN 100 CO -0.08 0.43 0.33 -0.33 -1.29 0.00 0.00 177.43 176.48 2pi2 h GLU 101 N 0.88 0.93 -0.66 6.67 4.39 -1.11 -1.24 114.58 124.44 2pi2 h GLU 101 Ca 0.45 -0.13 0.06 0.00 0.34 0.00 0.00 59.36 60.08 2pi2 h GLU 101 Cb 0.44 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 28.87 2pi2 h GLU 101 CO -0.26 0.73 0.36 0.00 -1.16 0.00 0.00 179.01 178.67 2pi2 h ALA 102 N 1.15 0.88 -0.65 3.43 0.00 -0.31 -1.96 119.26 121.80 2pi2 h ALA 102 Ca 0.23 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.20 2pi2 h ALA 102 Cb 0.09 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2pi2 h ALA 102 CO -0.03 0.03 0.37 0.28 0.00 0.00 0.00 179.25 179.90 2pi2 h VAL 103 N 0.67 1.00 -0.78 0.00 2.07 -0.73 -0.88 116.25 117.59 2pi2 h VAL 103 Ca 0.29 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.58 2pi2 h VAL 103 Cb 0.19 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 2pi2 h VAL 103 CO -0.18 0.13 0.51 0.11 0.02 0.00 0.00 177.57 178.15 2pi2 h LYS 104 N 0.69 1.03 -0.27 1.57 1.57 -0.84 -2.93 116.57 117.40 2pi2 h LYS 104 Ca 0.28 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.85 2pi2 h LYS 104 Cb 0.14 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2pi2 h LYS 104 CO -0.16 0.70 -0.39 0.82 -0.57 0.00 0.00 179.45 179.84 2pi2 h ILE 105 N 1.06 1.29 -0.96 1.86 2.04 -1.04 -1.56 117.51 120.20 2pi2 h ILE 105 Ca 0.28 -1.56 0.06 0.00 1.00 0.00 0.00 64.86 64.65 2pi2 h ILE 105 Cb -0.10 1.51 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 2pi2 h ILE 105 CO -0.06 0.50 0.62 0.40 0.00 0.00 0.00 178.15 179.61 2pi2 h ILE 106 N 0.53 1.09 0.00 -0.67 2.04 -0.99 -0.08 117.51 119.44 2pi2 h ILE 106 Ca 0.05 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2pi2 h ILE 106 Cb 0.91 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2pi2 h ILE 106 CO 0.08 0.21 -0.73 0.45 0.00 0.00 0.00 178.15 178.16 2pi2 h HIS 107 N 1.13 0.00 0.00 1.37 3.86 -1.35 -3.19 115.15 116.97 2pi2 h HIS 107 Ca 0.41 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.46 2pi2 h HIS 107 Cb 0.15 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 2pi2 h HIS 107 CO -0.00 0.00 -0.86 -0.44 0.86 0.00 0.00 177.93 177.49 2pi2 h ASP 108 N 0.00 0.00 -2.16 2.45 3.32 -0.93 -3.39 116.42 115.70 2pi2 h ASP 108 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 2pi2 h ASP 108 Cb 0.95 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.09 2pi2 h ASP 108 CO 0.00 0.70 -0.88 0.49 -1.72 0.00 0.00 179.24 177.83 2pi2 n PHE 109 N -3.21 2.37 0.29 4.55 3.01 -0.07 -4.91 117.46 119.48 2pi2 n PHE 109 Ca -0.01 -3.92 0.16 0.00 1.01 0.00 0.00 57.45 54.68 2pi2 n PHE 109 Cb 0.84 -0.46 0.86 0.00 -0.01 0.00 0.00 39.48 40.71 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 3.04 0.00 0.00 -1.08 0.13 -1.76 -1.61 132.00 130.72 2pi2 h PRO 110 Ca 0.12 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.23 2pi2 h PRO 110 Cb 0.71 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 2pi2 h PRO 110 CO 0.68 0.06 -0.08 -0.56 -0.23 0.00 0.00 178.00 177.87 2pi2 h GLN 111 N 0.00 0.00 -0.32 0.86 -0.00 -1.91 -2.31 115.11 111.43 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 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.71 2pi2 h GLN 111 CO 0.01 0.08 0.00 1.19 -0.00 0.00 0.00 178.83 180.10 2pi2 n PHE 112 N -4.01 0.42 -2.98 0.06 3.01 -0.62 -4.68 117.46 108.66 2pi2 n PHE 112 Ca -0.03 -0.31 -0.15 0.00 1.01 0.00 0.00 57.45 57.97 2pi2 n PHE 112 Cb 0.16 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 39.61 2pi2 n PHE 112 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 2pi2 n TYR 113 N 0.95 -2.17 -2.35 1.38 9.36 -0.88 -5.13 117.16 118.32 2pi2 n TYR 113 Ca 0.14 -2.47 -0.39 0.00 3.32 0.00 0.00 57.90 58.51 2pi2 n TYR 113 Cb 0.47 0.77 -0.03 0.00 -0.63 0.00 0.00 39.34 39.92 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 0.05 4.22 -0.55 2.98 0.02 -1.13 -4.70 135.00 135.88 2pi2 s PRO 114 Ca 0.33 1.82 -0.21 0.00 0.02 0.00 0.00 61.00 62.96 2pi2 s PRO 114 Cb 0.15 -2.80 0.06 0.00 0.02 0.00 0.00 34.50 31.93 2pi2 s PRO 114 CO -0.17 -0.17 0.75 -1.17 -0.33 0.00 0.00 177.00 175.91 2pi2 s LEU 115 N -2.24 4.79 0.05 -5.54 2.96 -1.26 -4.94 118.68 112.50 2pi2 s LEU 115 Ca 0.54 -0.90 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 2pi2 s LEU 115 Cb -0.30 -2.49 0.00 0.00 0.50 0.00 0.00 46.19 43.89 2pi2 s LEU 115 CO 0.39 -1.08 0.00 0.61 -1.32 0.00 0.00 176.35 174.95 2pi2 n GLY 116 N 5.20 -2.33 0.25 7.98 0.00 -1.26 -3.98 105.19 111.06 2pi2 n GLY 116 Ca -0.05 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 2pi2 n GLY 116 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2pi2 h ILE 117 N -0.13 0.00 -2.01 -0.61 2.04 -2.04 -3.37 117.51 111.40 2pi2 h ILE 117 Ca -0.01 -0.02 -0.49 0.00 1.00 0.00 0.00 64.86 65.33 2pi2 h ILE 117 Cb 0.12 0.00 -0.40 0.00 -0.74 0.00 0.00 36.82 35.80 2pi2 h ILE 117 CO 0.01 0.00 -1.10 1.33 0.00 0.00 0.00 178.15 178.38 2pi2 n VAL 118 N -3.76 0.44 -0.54 1.67 0.24 -1.26 -5.14 118.33 109.98 2pi2 n VAL 118 Ca -0.08 -4.70 0.00 0.00 -2.04 0.00 0.00 64.34 57.52 2pi2 n VAL 118 Cb 0.25 -0.42 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 2pi2 n VAL 118 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36