#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ppi s PHE 2 N 0.00 2.57 -0.06 -0.72 -0.12 -1.26 -5.12 117.98 113.27 2ppi s PHE 2 Ca 0.00 -0.44 0.02 0.00 -0.05 0.00 0.00 56.93 56.46 2ppi s PHE 2 Cb 0.00 -1.62 0.02 0.00 -0.63 0.00 0.00 43.02 40.79 2ppi s PHE 2 CO 0.00 -0.02 -0.09 -0.65 -0.05 0.00 0.00 175.22 174.41 2ppi s GLN 3 N -0.41 1.30 0.13 1.99 -0.21 -1.26 -5.13 119.66 116.07 2ppi s GLN 3 Ca 0.04 -0.27 0.08 0.00 0.02 0.00 0.00 55.36 55.23 2ppi s GLN 3 Cb -0.12 -1.15 -0.04 0.00 1.00 0.00 0.00 33.01 32.70 2ppi s GLN 3 CO 0.02 -0.03 -0.18 -1.54 -2.12 0.00 0.00 175.29 171.43 2ppi s SER 4 N 0.81 2.50 0.07 5.90 1.04 -1.26 -5.16 113.70 117.60 2ppi s SER 4 Ca -0.12 -0.78 0.05 0.00 0.48 0.00 0.00 55.95 55.57 2ppi s SER 4 Cb -0.15 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.81 2ppi s SER 4 CO 0.02 -0.02 -0.13 -0.32 0.98 0.00 0.00 173.24 173.77 2ppi s MET 5 N -2.43 0.79 -0.28 4.02 1.75 -1.26 -5.12 119.30 116.77 2ppi s MET 5 Ca 0.11 -0.96 0.03 0.00 -1.25 0.00 0.00 55.69 53.61 2ppi s MET 5 Cb -0.07 -0.72 0.07 0.00 2.84 0.00 0.00 34.83 36.95 2ppi s MET 5 CO 0.05 0.15 -0.04 0.00 -0.65 0.00 0.00 175.02 174.53 2ppi s ALA 6 N -1.46 2.50 -0.16 4.11 0.00 -1.26 -5.12 121.76 120.37 2ppi s ALA 6 Ca -0.02 -1.92 -0.08 0.00 0.00 0.00 0.00 51.96 49.94 2ppi s ALA 6 Cb -0.09 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 2ppi s ALA 6 CO 0.02 -1.37 0.11 0.08 0.00 0.00 0.00 175.76 174.60 2ppi s VAL 7 N 1.12 5.28 -0.11 0.00 1.01 -1.26 -5.09 120.40 121.35 2ppi s VAL 7 Ca -0.01 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.14 2ppi s VAL 7 Cb -0.19 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.83 2ppi s VAL 7 CO -0.07 0.52 -0.23 -0.55 0.00 0.00 0.00 175.10 174.76 2ppi s SER 8 N -0.20 3.12 -0.43 3.32 0.15 -1.26 -5.10 113.70 113.31 2ppi s SER 8 Ca 0.10 -0.56 -0.09 0.00 0.70 0.00 0.00 55.95 56.10 2ppi s SER 8 Cb -0.12 -1.42 0.08 0.00 -1.71 0.00 0.00 66.02 62.86 2ppi s SER 8 CO 0.01 0.15 0.27 -0.62 1.20 0.00 0.00 173.24 174.25 2ppi s ASP 9 N 0.40 5.66 0.08 5.45 -1.08 -1.26 -4.98 116.67 120.94 2ppi s ASP 9 Ca -0.17 -1.54 0.26 0.00 -0.52 0.00 0.00 52.55 50.57 2ppi s ASP 9 Cb -0.18 -1.99 1.01 0.00 -1.46 0.00 0.00 42.92 40.30 2ppi s ASP 9 CO 0.08 -0.56 1.80 -0.81 0.52 0.00 0.00 175.17 176.20 2ppi n PRO 10 N 4.92 0.09 0.00 4.34 -0.04 -1.26 -2.27 135.00 140.79 2ppi n PRO 10 Ca -0.10 0.13 0.14 0.00 -0.04 0.00 0.00 63.50 63.64 2ppi n PRO 10 Cb 0.43 -1.62 0.57 0.00 -0.04 0.00 0.00 33.50 32.84 2ppi n PRO 10 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2ppi n GLN 11 N -1.79 1.10 -0.02 0.54 3.00 -1.26 -4.41 117.38 114.54 2ppi n GLN 11 Ca 0.06 -0.52 -0.12 0.00 -0.01 0.00 0.00 57.00 56.41 2ppi n GLN 11 Cb 0.33 -1.49 -0.06 0.00 0.00 0.00 0.00 30.24 29.02 2ppi n GLN 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2ppi h HIS 12 N 1.27 0.17 -0.59 1.08 6.17 -1.89 -2.32 115.15 119.04 2ppi h HIS 12 Ca 0.00 -0.02 0.03 0.00 0.71 0.00 0.00 60.37 61.09 2ppi h HIS 12 Cb 0.40 -0.05 -0.04 0.00 2.52 0.00 0.00 27.41 30.24 2ppi h HIS 12 CO 0.00 0.31 0.35 0.00 0.71 0.00 0.00 177.93 179.30 2ppi h ALA 13 N 0.85 0.77 -0.15 5.26 0.00 -1.80 -0.34 119.26 123.84 2ppi h ALA 13 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ppi h ALA 13 Cb 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2ppi h ALA 13 CO -0.00 0.07 0.08 0.00 0.00 0.00 0.00 179.25 179.40 2ppi h ALA 14 N 1.27 0.20 -0.34 0.00 0.00 -1.80 -1.34 119.26 117.25 2ppi h ALA 14 Ca 0.24 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2ppi h ALA 14 Cb 0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2ppi h ALA 14 CO -0.12 -0.26 0.15 -0.09 0.00 0.00 0.00 179.25 178.94 2ppi h ARG 15 N 0.14 0.30 -0.78 0.00 2.43 -1.21 -1.90 114.38 113.37 2ppi h ARG 15 Ca 0.05 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2ppi h ARG 15 Cb 0.09 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 2ppi h ARG 15 CO -0.01 0.20 0.50 1.25 -1.51 0.00 0.00 179.97 180.41 2ppi h LEU 16 N 0.31 0.85 -1.11 3.80 5.85 -0.96 -2.74 115.31 121.31 2ppi h LEU 16 Ca 0.14 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.92 2ppi h LEU 16 Cb 0.08 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 2ppi h LEU 16 CO -0.12 0.60 0.61 0.25 -0.34 0.00 0.00 178.44 179.44 2ppi h LEU 17 N 1.00 0.94 -0.75 2.25 5.85 -0.72 -0.70 115.31 123.19 2ppi h LEU 17 Ca 0.30 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.93 2ppi h LEU 17 Cb -0.05 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 2ppi h LEU 17 CO -0.09 0.60 -0.06 0.03 -0.34 0.00 0.00 178.44 178.58 2ppi h ARG 18 N 1.07 0.89 -0.53 1.25 3.08 -1.08 -0.54 114.38 118.52 2ppi h ARG 18 Ca 0.40 -0.29 -0.11 0.00 0.07 0.00 0.00 59.98 60.05 2ppi h ARG 18 Cb 0.19 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2ppi h ARG 18 CO -0.15 0.93 -0.12 0.00 -1.07 0.00 0.00 179.97 179.56 2ppi h ALA 19 N 1.11 0.79 -0.47 0.04 0.00 -1.17 -2.76 119.26 116.80 2ppi h ALA 19 Ca 0.14 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2ppi h ALA 19 Cb 0.57 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2ppi h ALA 19 CO 0.03 0.67 0.08 -0.07 0.00 0.00 0.00 179.25 179.96 2ppi h LEU 20 N 0.89 0.68 -1.38 0.00 3.38 -0.92 -2.55 115.31 115.41 2ppi h LEU 20 Ca 0.14 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.05 2ppi h LEU 20 Cb 0.68 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 2ppi h LEU 20 CO 0.05 0.70 0.48 -1.28 0.09 0.00 0.00 178.44 178.48 2ppi h SER 21 N 0.70 0.66 -0.01 -0.43 0.87 -0.91 -2.09 113.55 112.34 2ppi h SER 21 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2ppi h SER 21 Cb 0.32 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2ppi h SER 21 CO 0.00 0.42 0.01 0.28 -0.53 0.00 0.00 176.83 177.02 2ppi h SER 22 N 0.75 0.00 0.03 6.23 0.02 -1.17 -3.13 113.55 116.28 2ppi h SER 22 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 2ppi h SER 22 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2ppi h SER 22 CO -0.11 0.00 -0.02 0.49 -1.14 0.00 0.00 176.83 176.06 2ppi n PHE 23 N -4.35 0.00 0.05 3.45 3.72 -0.78 -4.09 117.46 115.45 2ppi n PHE 23 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2ppi n PHE 23 Cb 0.10 -0.02 0.02 0.00 -0.94 0.00 0.00 39.48 38.64 2ppi n PHE 23 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2ppi n ARG 24 N -0.29 0.01 -3.96 -1.08 1.74 -1.18 -4.64 116.66 107.25 2ppi n ARG 24 Ca 0.20 0.29 -0.34 0.00 -0.77 0.00 0.00 57.85 57.22 2ppi n ARG 24 Cb 0.27 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.07 2ppi n ARG 24 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2ppi s GLU 25 N -2.60 3.06 0.00 5.56 0.41 -1.26 -4.92 118.70 118.95 2ppi s GLU 25 Ca 0.01 -0.82 0.00 0.00 -0.41 0.00 0.00 54.97 53.75 2ppi s GLU 25 Cb 0.01 -2.93 0.00 0.00 -1.78 0.00 0.00 34.13 29.42 2ppi s GLU 25 CO 0.02 -0.30 0.00 -2.13 -0.49 0.00 0.00 175.26 172.36 2ppi n ARG 28 N 4.71 0.00 -0.06 1.61 3.00 -1.26 -4.60 116.66 120.06 2ppi n ARG 28 Ca -0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.65 2ppi n ARG 28 Cb 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.81 2ppi n ARG 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2ppi n PHE 29 N 0.00 0.00 -1.86 -0.14 3.01 -1.26 -4.95 117.46 112.26 2ppi n PHE 29 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 2ppi n PHE 29 Cb 0.00 -0.70 -0.03 0.00 -0.01 0.00 0.00 39.48 38.74 2ppi n PHE 29 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2ppi n ASP 31 N 5.82 0.59 -3.79 0.00 9.92 0.32 -4.89 116.55 124.52 2ppi n ASP 31 Ca 0.17 -0.76 -0.07 0.00 -0.53 0.00 0.00 54.79 53.59 2ppi n ASP 31 Cb 0.40 1.01 -0.02 0.00 -0.64 0.00 0.00 41.12 41.87 2ppi n ASP 31 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ppi s ALA 32 N -2.13 -1.32 -0.12 2.24 0.00 -0.86 -4.53 121.76 115.04 2ppi s ALA 32 Ca 0.04 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.89 2ppi s ALA 32 Cb 0.09 0.83 0.00 0.00 0.00 0.00 0.00 23.12 24.04 2ppi s ALA 32 CO 0.48 -1.00 -0.22 -1.01 0.00 0.00 0.00 175.76 174.02 2ppi s HIS 33 N -3.82 2.63 -0.01 0.00 0.09 -0.49 -0.30 115.29 113.39 2ppi s HIS 33 Ca 0.10 -1.08 -0.30 0.00 -0.00 0.00 0.00 55.06 53.77 2ppi s HIS 33 Cb -0.05 -1.76 -0.04 0.00 -0.00 0.00 0.00 32.58 30.73 2ppi s HIS 33 CO 0.04 -0.45 1.13 -0.51 -0.00 0.00 0.00 174.74 174.95 2ppi s LEU 34 N 0.50 4.32 -0.48 0.89 1.43 -0.27 -1.27 118.68 123.80 2ppi s LEU 34 Ca -0.14 1.81 -0.09 0.00 -1.03 0.00 0.00 54.13 54.68 2ppi s LEU 34 Cb -0.17 -3.57 0.12 0.00 0.03 0.00 0.00 46.19 42.60 2ppi s LEU 34 CO 0.05 -0.47 0.35 -0.69 0.23 0.00 0.00 176.35 175.82 2ppi s VAL 35 N 1.59 4.18 -0.03 -1.59 1.01 -0.57 -0.97 120.40 124.03 2ppi s VAL 35 Ca 0.55 -1.83 0.06 0.00 0.00 0.00 0.00 61.98 60.76 2ppi s VAL 35 Cb -0.25 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 2ppi s VAL 35 CO 0.25 -0.78 -0.21 -0.76 0.00 0.00 0.00 175.10 173.60 2ppi s LEU 36 N 1.32 2.01 0.00 3.92 1.43 -0.26 -1.10 118.68 125.99 2ppi s LEU 36 Ca 0.06 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2ppi s LEU 36 Cb -0.26 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 44.85 2ppi s LEU 36 CO -0.01 0.22 0.00 0.47 0.23 0.00 0.00 176.35 177.26 2ppi n ASP 37 N 2.82 0.00 -1.96 2.29 8.00 -1.26 0.33 116.55 126.77 2ppi n ASP 37 Ca -0.17 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.34 2ppi n ASP 37 Cb 0.53 0.00 0.36 0.00 -0.02 0.00 0.00 41.12 41.99 2ppi n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ppi n GLY 38 N 0.00 3.31 3.87 0.44 0.00 -1.26 -4.99 105.19 106.57 2ppi n GLY 38 Ca 0.00 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 2ppi n GLY 38 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ppi s GLU 39 N -2.88 3.42 -0.13 1.61 1.03 0.15 -5.10 118.70 116.80 2ppi s GLU 39 Ca 0.55 -0.15 0.00 0.00 0.03 0.00 0.00 54.97 55.41 2ppi s GLU 39 Cb 0.43 -3.17 -0.01 0.00 -0.80 0.00 0.00 34.13 30.58 2ppi s GLU 39 CO 0.15 0.77 -0.14 -1.21 -1.33 0.00 0.00 175.26 173.50 2ppi s GLU 40 N -1.06 3.31 -0.30 -4.83 2.02 -1.26 -1.11 118.70 115.48 2ppi s GLU 40 Ca 0.15 -0.72 0.02 0.00 0.02 0.00 0.00 54.97 54.44 2ppi s GLU 40 Cb -0.12 -2.60 0.07 0.00 0.10 0.00 0.00 34.13 31.58 2ppi s GLU 40 CO 0.05 0.16 -0.03 0.42 0.02 0.00 0.00 175.26 175.87 2ppi s ILE 41 N 0.48 2.44 0.31 -1.63 1.01 -0.14 -4.94 121.20 118.74 2ppi s ILE 41 Ca -0.10 -1.77 -0.29 0.00 0.00 0.00 0.00 60.65 58.48 2ppi s ILE 41 Cb -0.16 -2.53 -0.12 0.00 0.01 0.00 0.00 42.46 39.66 2ppi s ILE 41 CO 0.05 -0.22 1.51 -0.81 0.00 0.00 0.00 174.94 175.46 2ppi n PRO 42 N 4.44 2.54 -3.84 2.79 -0.04 -1.26 -1.11 135.00 138.52 2ppi n PRO 42 Ca -0.09 0.90 -0.12 0.00 -0.04 0.00 0.00 63.50 64.15 2ppi n PRO 42 Cb 0.42 -2.63 -0.09 0.00 -0.04 0.00 0.00 33.50 31.16 2ppi n PRO 42 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ppi s VAL 43 N -0.44 0.08 -0.36 0.52 0.11 0.59 -4.90 120.40 116.00 2ppi s VAL 43 Ca 0.61 -0.66 -0.20 0.00 -2.93 0.00 0.00 61.98 58.80 2ppi s VAL 43 Cb -0.52 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 2ppi s VAL 43 CO 0.54 -0.36 0.62 -1.10 -3.33 0.00 0.00 175.10 171.48 2ppi s GLN 44 N -1.49 3.64 0.08 1.54 -0.21 -1.26 -0.52 119.66 121.44 2ppi s GLN 44 Ca -0.14 -0.00 -0.25 0.00 0.02 0.00 0.00 55.36 55.00 2ppi s GLN 44 Cb -0.06 -3.82 -0.16 0.00 1.00 0.00 0.00 33.01 29.97 2ppi s GLN 44 CO 0.02 -0.75 1.67 -0.22 -2.12 0.00 0.00 175.29 173.89 2ppi h LYS 45 N 8.49 -0.15 -0.71 2.91 3.64 -1.91 -2.92 116.57 125.93 2ppi h LYS 45 Ca -0.26 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.10 2ppi h LYS 45 Cb 1.11 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 2ppi h LYS 45 CO 0.83 -0.06 0.32 -2.95 -2.27 0.00 0.00 179.45 175.32 2ppi h ASN 46 N -0.20 0.93 -0.34 4.20 -1.07 -1.98 0.35 115.58 117.46 2ppi h ASN 46 Ca -0.02 -0.11 -0.16 0.00 0.07 0.00 0.00 56.30 56.09 2ppi h ASN 46 Cb 0.16 -0.24 -0.01 0.00 -2.07 0.00 0.00 38.32 36.16 2ppi h ASN 46 CO 0.03 0.80 -0.38 0.40 0.07 0.00 0.00 177.43 178.34 2ppi h ILE 47 N 1.01 1.27 -0.22 6.14 2.04 -1.96 0.63 117.51 126.42 2ppi h ILE 47 Ca 0.24 -1.55 -0.15 0.00 1.00 0.00 0.00 64.86 64.40 2ppi h ILE 47 Cb 0.13 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2ppi h ILE 47 CO -0.03 0.52 -0.49 -0.07 0.00 0.00 0.00 178.15 178.08 2ppi h LEU 48 N 0.73 0.66 -0.83 1.44 3.38 -1.32 -2.57 115.31 116.80 2ppi h LEU 48 Ca 0.06 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 2ppi h LEU 48 Cb 0.96 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 2ppi h LEU 48 CO 0.09 1.03 0.12 0.00 0.09 0.00 0.00 178.44 179.78 2ppi h ALA 49 N 0.99 1.04 -0.42 1.53 0.00 -0.73 -1.10 119.26 120.57 2ppi h ALA 49 Ca 0.02 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2ppi h ALA 49 Cb 1.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2ppi h ALA 49 CO 0.10 0.62 -0.11 0.00 0.00 0.00 0.00 179.25 179.85 2ppi h ALA 50 N 1.18 1.01 0.20 0.00 0.00 -0.85 -3.22 119.26 117.59 2ppi h ALA 50 Ca 0.19 -0.31 -0.33 0.00 0.00 0.00 0.00 54.91 54.46 2ppi h ALA 50 Cb 0.38 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.02 2ppi h ALA 50 CO 0.01 0.59 -1.59 0.00 0.00 0.00 0.00 179.25 178.26 2ppi h ALA 51 N 1.19 0.05 -3.31 0.00 0.00 -1.36 -3.44 119.26 112.39 2ppi h ALA 51 Ca 0.12 -1.03 -0.68 0.00 0.00 0.00 0.00 54.91 53.31 2ppi h ALA 51 Cb 0.58 0.36 -0.31 0.00 0.00 0.00 0.00 17.79 18.43 2ppi h ALA 51 CO 0.04 0.87 -0.68 0.45 0.00 0.00 0.00 179.25 179.92 2ppi s SER 52 N -7.34 4.89 0.49 0.00 0.15 -0.43 -4.74 113.70 106.71 2ppi s SER 52 Ca -0.14 -1.08 0.19 0.00 0.70 0.00 0.00 55.95 55.62 2ppi s SER 52 Cb 0.05 -1.76 1.23 0.00 -1.71 0.00 0.00 66.02 63.82 2ppi s SER 52 CO 0.87 -0.24 2.02 -0.65 1.20 0.00 0.00 173.24 176.45 2ppi h PRO 53 N 8.08 0.16 0.06 5.44 0.11 -1.73 -1.48 132.00 142.64 2ppi h PRO 53 Ca -0.26 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 2ppi h PRO 53 Cb 1.08 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2ppi h PRO 53 CO 0.57 0.10 -0.03 -0.92 -0.21 0.00 0.00 178.00 177.51 2ppi h TYR 54 N 0.16 -0.07 -0.55 0.65 3.20 -1.88 -0.74 116.97 117.75 2ppi h TYR 54 Ca 0.21 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.00 2ppi h TYR 54 Cb 0.62 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 2ppi h TYR 54 CO -0.00 -0.01 0.05 0.82 -1.64 0.00 0.00 178.16 177.38 2ppi h ILE 55 N -0.11 1.26 -0.43 1.81 2.04 -1.76 0.14 117.51 120.45 2ppi h ILE 55 Ca -0.01 -1.02 0.09 0.00 1.00 0.00 0.00 64.86 64.91 2ppi h ILE 55 Cb 0.09 0.85 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 2ppi h ILE 55 CO 0.01 0.37 -0.13 -0.09 0.00 0.00 0.00 178.15 178.31 2ppi h ARG 56 N 0.81 -0.03 -0.45 2.37 9.65 -1.17 -1.59 114.38 123.98 2ppi h ARG 56 Ca 0.16 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.96 2ppi h ARG 56 Cb 0.46 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.03 2ppi h ARG 56 CO 0.02 -0.02 -0.04 1.15 2.80 0.00 0.00 179.97 183.88 2ppi h THR 57 N -0.03 1.27 -0.95 0.20 2.02 -0.55 -3.02 112.91 111.84 2ppi h THR 57 Ca 0.21 -1.12 0.10 0.00 0.77 0.00 0.00 66.41 66.38 2ppi h THR 57 Cb 0.35 1.08 -0.08 0.00 -1.74 0.00 0.00 68.15 67.76 2ppi h THR 57 CO -0.46 0.38 0.59 0.50 0.37 0.00 0.00 175.52 176.90 2ppi h LYS 58 N 0.66 0.94 -0.15 6.66 3.64 -0.42 -1.97 116.57 125.93 2ppi h LYS 58 Ca 0.12 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.34 2ppi h LYS 58 Cb 0.56 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2ppi h LYS 58 CO 0.03 0.62 -0.38 -0.07 -2.27 0.00 0.00 179.45 177.38 2ppi h LEU 59 N 0.97 0.33 -1.03 5.20 4.07 -1.18 0.64 115.31 124.31 2ppi h LEU 59 Ca 0.46 -0.13 -0.04 0.00 0.08 0.00 0.00 57.88 58.25 2ppi h LEU 59 Cb 0.39 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.01 2ppi h LEU 59 CO -0.24 0.69 0.25 0.78 -1.08 0.00 0.00 178.44 178.83 2ppi h ASN 60 N 0.27 0.87 0.01 -0.43 2.35 -1.26 -3.25 115.58 114.13 2ppi h ASN 60 Ca 0.03 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2ppi h ASN 60 Cb 0.80 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2ppi h ASN 60 CO 0.06 0.78 -1.59 -1.22 -1.65 0.00 0.00 177.43 173.81 2ppi n TYR 61 N -4.30 0.01 -3.30 1.19 4.02 -0.94 -4.54 117.16 109.29 2ppi n TYR 61 Ca 0.06 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.69 2ppi n TYR 61 Cb 0.18 -0.30 -0.08 0.00 -0.02 0.00 0.00 39.34 39.12 2ppi n TYR 61 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2ppi n ASN 62 N -1.96 1.68 -4.81 7.72 5.15 0.22 -5.08 115.26 118.18 2ppi n ASN 62 Ca -0.01 -3.00 -0.38 0.00 -0.60 0.00 0.00 54.58 50.59 2ppi n ASN 62 Cb 0.47 -0.65 -0.06 0.00 -0.53 0.00 0.00 39.78 39.01 2ppi n ASN 62 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2ppi s PRO 63 N -1.69 3.99 0.00 1.20 0.04 -1.23 -4.60 135.00 132.72 2ppi s PRO 63 Ca 0.37 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2ppi s PRO 63 Cb 0.15 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.43 2ppi s PRO 63 CO -0.07 0.58 0.00 0.43 0.04 0.00 0.00 177.00 177.97 2ppi n SER 69 N 2.26 -1.69 -4.73 6.66 7.64 -1.26 -5.10 113.62 117.40 2ppi n SER 69 Ca -0.13 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.34 2ppi n SER 69 Cb 0.52 -0.84 -0.04 0.00 -1.01 0.00 0.00 64.21 62.84 2ppi n SER 69 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2ppi s THR 70 N 0.00 4.67 -0.12 0.44 2.01 -1.26 -5.03 115.64 116.35 2ppi s THR 70 Ca 0.00 1.91 -0.23 0.00 0.31 0.00 0.00 61.69 63.67 2ppi s THR 70 Cb 0.00 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 2ppi s THR 70 CO 0.00 0.30 0.72 -0.47 -0.69 0.00 0.00 174.62 174.47 2ppi s TYR 71 N 0.22 3.49 -0.09 4.92 5.04 -1.26 -4.98 117.35 124.70 2ppi s TYR 71 Ca 0.45 1.18 0.01 0.00 -2.44 0.00 0.00 57.07 56.27 2ppi s TYR 71 Cb -0.22 -2.85 -0.02 0.00 0.35 0.00 0.00 41.96 39.22 2ppi s TYR 71 CO 0.27 -0.05 -0.13 0.15 -1.34 0.00 0.00 175.55 174.45 2ppi s LYS 72 N 1.37 2.97 -0.31 4.97 3.01 -1.26 -1.39 119.74 129.09 2ppi s LYS 72 Ca 0.36 -0.67 -0.02 0.00 -1.01 0.00 0.00 55.97 54.62 2ppi s LYS 72 Cb -0.17 -2.53 0.05 0.00 -1.01 0.00 0.00 37.83 34.17 2ppi s LYS 72 CO 0.15 0.43 0.02 0.96 0.51 0.00 0.00 175.35 177.43 2ppi s ILE 73 N -0.22 3.11 0.22 2.17 -0.00 -0.40 -4.96 121.20 121.12 2ppi s ILE 73 Ca 0.01 -1.39 -0.23 0.00 -0.00 0.00 0.00 60.65 59.03 2ppi s ILE 73 Cb -0.13 -2.80 -0.08 0.00 -0.00 0.00 0.00 42.46 39.44 2ppi s ILE 73 CO 0.03 -0.15 0.79 -1.61 -0.00 0.00 0.00 174.94 174.00 2ppi s GLU 74 N 1.26 4.45 -0.44 0.37 8.01 -1.26 -1.50 118.70 129.59 2ppi s GLU 74 Ca -0.04 1.08 0.05 0.00 0.01 0.00 0.00 54.97 56.08 2ppi s GLU 74 Cb -0.20 -3.03 0.19 0.00 -4.31 0.00 0.00 34.13 26.78 2ppi s GLU 74 CO -0.01 0.45 0.74 -0.51 0.01 0.00 0.00 175.26 175.94 2ppi s LEU 75 N -1.64 -1.32 0.00 1.80 1.43 -0.26 -4.91 118.68 113.79 2ppi s LEU 75 Ca 0.41 -1.10 0.24 0.00 -1.03 0.00 0.00 54.13 52.66 2ppi s LEU 75 Cb -0.20 1.70 0.22 0.00 0.03 0.00 0.00 46.19 47.94 2ppi s LEU 75 CO 0.24 -0.10 1.26 -0.62 0.23 0.00 0.00 176.35 177.36 2ppi n GLU 76 N 3.62 2.01 -0.44 1.70 -0.58 -1.26 -4.05 120.64 121.63 2ppi n GLU 76 Ca 0.14 -1.63 0.06 0.00 -0.42 0.00 0.00 57.16 55.31 2ppi n GLU 76 Cb 0.58 -1.47 0.25 0.00 -0.57 0.00 0.00 31.44 30.23 2ppi n GLU 76 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ppi n GLY 77 N 1.35 1.95 3.07 0.62 0.00 -1.26 -4.80 105.19 106.12 2ppi n GLY 77 Ca 0.13 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 2ppi n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ppi s ILE 78 N -1.78 -0.01 0.77 -0.61 1.01 -1.26 -4.93 121.20 114.38 2ppi s ILE 78 Ca 0.35 0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.94 2ppi s ILE 78 Cb 0.23 -0.31 0.05 0.00 0.01 0.00 0.00 42.46 42.44 2ppi s ILE 78 CO 0.16 0.02 1.08 -0.94 0.00 0.00 0.00 174.94 175.27 2ppi s SER 79 N 0.47 4.58 0.18 3.58 1.04 -1.26 -4.63 113.70 117.66 2ppi s SER 79 Ca -0.03 1.71 -0.08 0.00 0.48 0.00 0.00 55.95 58.03 2ppi s SER 79 Cb -0.04 -2.45 0.08 0.00 0.10 0.00 0.00 66.02 63.71 2ppi s SER 79 CO -0.02 -1.97 1.62 0.58 0.98 0.00 0.00 173.24 174.42 2ppi h VAL 80 N -1.08 1.27 -0.35 5.02 2.07 -1.97 -2.19 116.25 119.01 2ppi h VAL 80 Ca -0.44 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 65.81 2ppi h VAL 80 Cb 1.23 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2ppi h VAL 80 CO 0.53 0.44 0.15 0.24 0.02 0.00 0.00 177.57 178.95 2ppi h MET 81 N 0.89 0.52 -0.21 1.57 2.86 -2.00 -2.30 114.93 116.27 2ppi h MET 81 Ca 0.14 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 2ppi h MET 81 Cb 0.66 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 2ppi h MET 81 CO 0.05 0.50 -0.02 0.28 1.06 0.00 0.00 176.91 178.78 2ppi h VAL 82 N 0.42 1.27 -0.56 -2.22 2.07 -1.94 -2.86 116.25 112.42 2ppi h VAL 82 Ca 0.12 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.71 2ppi h VAL 82 Cb 0.17 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 2ppi h VAL 82 CO -0.01 0.29 0.37 -0.03 0.02 0.00 0.00 177.57 178.21 2ppi h MET 83 N 0.12 0.70 -0.07 1.57 4.05 -1.39 -0.82 114.93 119.09 2ppi h MET 83 Ca 0.06 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.35 2ppi h MET 83 Cb 0.44 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 2ppi h MET 83 CO 0.01 0.46 -0.33 0.00 0.23 0.00 0.00 176.91 177.29 2ppi h ARG 84 N 0.72 0.14 -0.01 0.39 3.08 -1.23 0.23 114.38 117.69 2ppi h ARG 84 Ca 0.21 -0.05 -0.20 0.00 0.07 0.00 0.00 59.98 60.01 2ppi h ARG 84 Cb -0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2ppi h ARG 84 CO -0.05 0.46 -0.86 0.93 -1.07 0.00 0.00 179.97 179.37 2ppi h GLU 85 N 0.12 0.27 -0.16 0.04 4.39 -1.10 -2.02 114.58 116.12 2ppi h GLU 85 Ca 0.02 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.39 2ppi h GLU 85 Cb 0.65 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2ppi h GLU 85 CO 0.05 0.98 -0.10 0.82 -1.16 0.00 0.00 179.01 179.59 2ppi h ILE 86 N 0.16 1.33 -0.91 3.13 2.04 -0.70 -1.49 117.51 121.07 2ppi h ILE 86 Ca -0.05 -1.19 0.07 0.00 1.00 0.00 0.00 64.86 64.69 2ppi h ILE 86 Cb 1.48 1.77 -0.07 0.00 -0.74 0.00 0.00 36.82 39.27 2ppi h ILE 86 CO 0.14 0.35 0.57 -0.07 0.00 0.00 0.00 178.15 179.14 2ppi h LEU 87 N 0.00 0.89 -0.85 1.44 3.38 -0.61 0.21 115.31 119.77 2ppi h LEU 87 Ca 0.03 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.10 2ppi h LEU 87 Cb 0.60 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 2ppi h LEU 87 CO 0.03 0.55 0.52 0.44 0.09 0.00 0.00 178.44 180.07 2ppi h ASP 88 N 1.01 0.79 -0.05 -0.43 3.32 -1.28 -2.00 116.42 117.78 2ppi h ASP 88 Ca 0.40 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.48 2ppi h ASP 88 Cb 0.21 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 2ppi h ASP 88 CO -0.19 0.49 0.02 0.22 -1.72 0.00 0.00 179.24 178.06 2ppi h TYR 89 N 0.91 0.03 -0.84 4.55 3.20 0.19 -2.79 116.97 122.23 2ppi h TYR 89 Ca 0.39 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.33 2ppi h TYR 89 Cb 0.25 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.46 2ppi h TYR 89 CO -0.04 0.02 0.54 0.82 -1.64 0.00 0.00 178.16 177.86 2ppi h ILE 90 N 0.04 1.02 -0.47 1.81 2.04 -0.29 0.57 117.51 122.23 2ppi h ILE 90 Ca 0.02 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2ppi h ILE 90 Cb 0.01 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 2ppi h ILE 90 CO -0.02 0.16 0.00 0.49 0.00 0.00 0.00 178.15 178.78 2ppi n PHE 91 N -4.49 0.66 0.00 1.37 3.01 -0.79 -4.57 117.46 112.65 2ppi n PHE 91 Ca 0.13 -0.32 0.00 0.00 1.01 0.00 0.00 57.45 58.27 2ppi n PHE 91 Cb 0.24 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 2ppi n PHE 91 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2ppi n SER 92 N 0.86 0.00 0.00 4.37 3.41 -0.59 -4.63 113.62 117.04 2ppi n SER 92 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2ppi n SER 92 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2ppi n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ppi n GLY 93 N -0.04 0.94 3.61 5.00 0.00 0.19 -5.06 105.19 109.83 2ppi n GLY 93 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2ppi n GLY 93 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ppi s GLN 94 N -0.60 3.74 0.04 1.61 0.74 -1.26 -5.02 119.66 118.91 2ppi s GLN 94 Ca 0.00 -0.40 0.08 0.00 0.05 0.00 0.00 55.36 55.09 2ppi s GLN 94 Cb 0.00 -3.07 -0.03 0.00 1.10 0.00 0.00 33.01 31.01 2ppi s GLN 94 CO 0.00 0.34 -0.20 -1.50 -0.55 0.00 0.00 175.29 173.38 2ppi s ILE 95 N 0.14 2.63 -0.15 -2.34 2.07 -1.26 -3.22 121.20 119.07 2ppi s ILE 95 Ca 0.03 -1.23 -0.11 0.00 -1.41 0.00 0.00 60.65 57.92 2ppi s ILE 95 Cb -0.13 -2.09 -0.05 0.00 0.13 0.00 0.00 42.46 40.33 2ppi s ILE 95 CO 0.01 0.35 0.22 -0.13 -1.91 0.00 0.00 174.94 173.48 2ppi s ARG 96 N -1.38 4.03 -0.05 3.50 0.52 -1.26 -5.09 118.95 119.22 2ppi s ARG 96 Ca 0.14 -0.03 -0.01 0.00 -0.52 0.00 0.00 55.73 55.31 2ppi s ARG 96 Cb -0.10 -3.36 0.03 0.00 0.52 0.00 0.00 34.95 32.04 2ppi s ARG 96 CO 0.04 0.41 0.03 -0.51 0.02 0.00 0.00 175.30 175.29 2ppi s LEU 97 N -0.02 0.59 0.51 2.53 1.02 -1.26 -4.97 118.68 117.09 2ppi s LEU 97 Ca 0.14 0.00 0.07 0.00 0.02 0.00 0.00 54.13 54.36 2ppi s LEU 97 Cb -0.12 -0.24 0.03 0.00 0.02 0.00 0.00 46.19 45.87 2ppi s LEU 97 CO 0.03 -0.19 0.44 0.20 0.02 0.00 0.00 176.35 176.85 2ppi s ASN 98 N 1.75 4.78 0.15 2.29 0.01 -1.26 -4.97 114.94 117.70 2ppi s ASN 98 Ca 0.00 -1.07 -0.13 0.00 -0.71 0.00 0.00 52.86 50.95 2ppi s ASN 98 Cb -0.13 0.12 0.03 0.00 0.41 0.00 0.00 41.25 41.69 2ppi s ASN 98 CO -0.03 -1.00 1.68 1.05 -1.51 0.00 0.00 177.10 177.28 2ppi h GLU 99 N 0.77 0.78 0.00 -0.60 9.09 -2.02 -2.69 114.58 119.92 2ppi h GLU 99 Ca -0.37 -0.17 0.00 0.00 0.05 0.00 0.00 59.36 58.87 2ppi h GLU 99 Cb 1.29 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 2ppi h GLU 99 CO 0.56 0.73 0.00 -0.40 0.05 0.00 0.00 179.01 179.95 2ppi n ASP 100 N -4.49 0.00 -0.03 3.06 5.75 -1.26 -4.11 116.55 115.47 2ppi n ASP 100 Ca 0.02 -0.13 -0.04 0.00 -0.01 0.00 0.00 54.79 54.63 2ppi n ASP 100 Cb 0.20 -0.25 -0.03 0.00 -1.03 0.00 0.00 41.12 40.01 2ppi n ASP 100 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2ppi n THR 101 N -1.25 0.31 -0.06 2.12 -1.04 -1.15 -4.80 114.28 108.41 2ppi n THR 101 Ca 0.12 -0.13 0.19 0.00 -2.04 0.00 0.00 64.05 62.19 2ppi n THR 101 Cb 0.17 -0.72 0.63 0.00 -1.82 0.00 0.00 70.33 68.60 2ppi n THR 101 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2ppi h ILE 102 N 0.00 0.74 -0.21 12.58 2.04 -1.63 0.62 117.51 131.65 2ppi h ILE 102 Ca -0.12 -0.05 -0.06 0.00 1.00 0.00 0.00 64.86 65.64 2ppi h ILE 102 Cb 1.20 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2ppi h ILE 102 CO -0.02 0.02 -0.08 1.56 0.00 0.00 0.00 178.15 179.63 2ppi h GLN 103 N 0.13 0.43 -0.70 2.37 1.08 -1.87 -0.55 115.11 116.01 2ppi h GLN 103 Ca 0.30 -0.18 -0.05 0.00 -1.45 0.00 0.00 58.65 57.27 2ppi h GLN 103 Cb 1.00 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.39 2ppi h GLN 103 CO -0.04 0.70 0.25 -0.44 -0.95 0.00 0.00 178.83 178.35 2ppi h ASP 104 N 0.14 0.97 -0.39 1.46 3.45 -1.22 -1.52 116.42 119.31 2ppi h ASP 104 Ca 0.05 -0.16 -0.13 0.00 0.43 0.00 0.00 57.03 57.23 2ppi h ASP 104 Cb 0.56 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.07 2ppi h ASP 104 CO 0.03 0.89 -0.25 0.58 -1.57 0.00 0.00 179.24 178.92 2ppi h VAL 105 N 1.02 1.28 -0.68 -1.35 2.07 -1.30 -0.68 116.25 116.62 2ppi h VAL 105 Ca 0.23 -1.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.31 2ppi h VAL 105 Cb 0.24 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2ppi h VAL 105 CO -0.01 0.47 0.24 0.58 0.02 0.00 0.00 177.57 178.86 2ppi h VAL 106 N 0.66 1.24 -0.31 2.57 2.07 -0.87 0.13 116.25 121.73 2ppi h VAL 106 Ca 0.08 -0.80 -0.11 0.00 0.82 0.00 0.00 66.70 66.69 2ppi h VAL 106 Cb 0.82 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2ppi h VAL 106 CO 0.07 0.32 -0.24 1.56 0.02 0.00 0.00 177.57 179.30 2ppi h GLN 107 N 0.99 0.72 -0.12 1.57 4.20 -1.18 -2.07 115.11 119.21 2ppi h GLN 107 Ca 0.22 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.59 2ppi h GLN 107 Cb 0.24 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2ppi h GLN 107 CO -0.01 0.96 0.08 0.00 -0.67 0.00 0.00 178.83 179.18 2ppi h ALA 108 N 0.74 0.15 -0.89 3.87 0.00 -0.89 -1.00 119.26 121.24 2ppi h ALA 108 Ca 0.06 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.09 2ppi h ALA 108 Cb 0.79 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 2ppi h ALA 108 CO 0.06 -0.37 0.57 0.00 0.00 0.00 0.00 179.25 179.52 2ppi h ALA 109 N 1.05 1.76 0.11 0.00 0.00 -0.71 -0.98 119.26 120.49 2ppi h ALA 109 Ca 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2ppi h ALA 109 Cb -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2ppi h ALA 109 CO -0.02 0.02 -0.05 0.22 0.00 0.00 0.00 179.25 179.42 2ppi h ASP 110 N 0.76 -0.13 -0.71 0.00 3.58 -0.86 0.25 116.42 119.31 2ppi h ASP 110 Ca 0.44 -0.28 0.15 0.00 0.42 0.00 0.00 57.03 57.76 2ppi h ASP 110 Cb 0.61 0.03 -0.13 0.00 1.72 0.00 0.00 39.33 41.57 2ppi h ASP 110 CO -0.20 0.22 -0.09 -0.07 -2.88 0.00 0.00 179.24 176.22 2ppi h LEU 111 N -0.50 -0.50 -0.67 2.28 4.07 -0.82 -2.31 115.31 116.86 2ppi h LEU 111 Ca -0.02 0.20 0.00 0.00 0.08 0.00 0.00 57.88 58.14 2ppi h LEU 111 Cb 0.40 0.38 0.00 0.00 1.08 0.00 0.00 40.66 42.53 2ppi h LEU 111 CO 0.03 -0.20 -0.05 0.18 -1.08 0.00 0.00 178.44 177.32 2ppi n LEU 112 N -5.40 1.09 -2.72 1.67 4.77 -0.41 -4.83 117.00 111.17 2ppi n LEU 112 Ca 0.11 -0.34 -0.20 0.00 -0.03 0.00 0.00 56.01 55.55 2ppi n LEU 112 Cb 0.40 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.49 2ppi n LEU 112 CO 0.04 0.19 0.01 0.18 -1.33 0.00 0.00 177.39 176.47 2ppi n LEU 113 N -0.24 -2.60 -4.49 2.23 4.77 -0.47 -3.66 117.00 112.54 2ppi n LEU 113 Ca 0.18 -0.26 -0.44 0.00 -0.03 0.00 0.00 56.01 55.46 2ppi n LEU 113 Cb 0.31 -2.71 -0.01 0.00 -2.33 0.00 0.00 43.42 38.68 2ppi n LEU 113 CO 0.19 0.22 1.43 -0.76 -1.33 0.00 0.00 177.39 177.14 2ppi s LEU 114 N -6.01 4.70 0.21 2.23 1.43 0.74 -4.49 118.68 117.50 2ppi s LEU 114 Ca 0.28 -2.57 -0.04 0.00 -1.03 0.00 0.00 54.13 50.76 2ppi s LEU 114 Cb -0.12 -2.45 0.17 0.00 0.03 0.00 0.00 46.19 43.82 2ppi s LEU 114 CO 0.35 -0.95 1.60 0.00 0.23 0.00 0.00 176.35 177.58 2ppi h THR 115 N 5.24 1.28 0.07 5.49 1.03 -1.91 -1.75 112.91 122.36 2ppi h THR 115 Ca 0.30 -1.42 -0.24 0.00 -0.01 0.00 0.00 66.41 65.03 2ppi h THR 115 Cb 0.91 1.32 -0.01 0.00 -1.07 0.00 0.00 68.15 69.31 2ppi h THR 115 CO 1.27 0.47 -1.09 0.44 -0.01 0.00 0.00 175.52 176.60 2ppi h ASP 116 N 0.63 0.32 -0.57 0.00 3.32 -1.97 -2.50 116.42 115.65 2ppi h ASP 116 Ca 0.07 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2ppi h ASP 116 Cb 0.81 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 2ppi h ASP 116 CO 0.07 1.20 0.36 0.25 -1.72 0.00 0.00 179.24 179.40 2ppi h LEU 117 N 0.08 0.68 -0.54 1.55 5.85 -1.93 -1.05 115.31 119.95 2ppi h LEU 117 Ca -0.09 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2ppi h LEU 117 Cb 1.79 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.63 2ppi h LEU 117 CO 0.17 0.52 0.35 0.50 -0.34 0.00 0.00 178.44 179.64 2ppi h LYS 118 N 0.77 0.71 -0.52 1.25 1.63 -1.29 -1.15 116.57 117.97 2ppi h LYS 118 Ca 0.21 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 59.88 2ppi h LYS 118 Cb -0.05 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.40 2ppi h LYS 118 CO -0.04 0.47 -0.01 1.15 -3.45 0.00 0.00 179.45 177.58 2ppi h THR 119 N 0.73 1.25 -0.47 1.00 2.02 -1.29 -1.44 112.91 114.71 2ppi h THR 119 Ca 0.20 -1.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.28 2ppi h THR 119 Cb -0.08 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 2ppi h THR 119 CO -0.04 0.38 0.16 0.25 0.37 0.00 0.00 175.52 176.64 2ppi h LEU 120 N 0.82 0.62 0.12 2.58 5.85 -0.88 -2.79 115.31 121.64 2ppi h LEU 120 Ca 0.15 -0.08 -0.27 0.00 0.84 0.00 0.00 57.88 58.53 2ppi h LEU 120 Cb 0.50 -0.16 0.03 0.00 0.37 0.00 0.00 40.66 41.40 2ppi h LEU 120 CO 0.02 0.58 -1.11 0.00 -0.34 0.00 0.00 178.44 177.59 2ppi h GLU 123 N 0.12 0.00 -1.97 0.00 4.11 -1.56 -2.52 114.58 112.76 2ppi h GLU 123 Ca 0.02 0.00 -0.75 0.00 0.07 0.00 0.00 59.36 58.70 2ppi h GLU 123 Cb 0.47 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.43 2ppi h GLU 123 CO 0.03 0.02 0.80 1.19 0.07 0.00 0.00 179.01 181.13 2ppi n PHE 124 N -3.24 3.04 -1.02 2.06 3.01 -0.93 -5.13 117.46 115.24 2ppi n PHE 124 Ca -0.02 -2.48 0.00 0.00 1.01 0.00 0.00 57.45 55.97 2ppi n PHE 124 Cb 0.17 -1.03 0.00 0.00 -0.01 0.00 0.00 39.48 38.60 2ppi n PHE 124 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05