#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpi n SER 2 N 0.00 -1.99 -4.72 6.12 7.64 -1.26 -5.10 113.62 114.31 1wpi n SER 2 Ca 0.00 0.56 -0.65 0.00 1.01 0.00 0.00 58.87 59.78 1wpi n SER 2 Cb 0.00 2.00 -0.09 0.00 -1.01 0.00 0.00 64.21 65.10 1wpi n SER 2 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1wpi n PHE 3 N -3.21 1.72 -0.02 1.43 3.72 -1.26 -4.84 117.46 115.00 1wpi n PHE 3 Ca 0.00 1.04 -0.16 0.00 -0.05 0.00 0.00 57.45 58.27 1wpi n PHE 3 Cb 0.00 -2.26 -0.13 0.00 -0.94 0.00 0.00 39.48 36.15 1wpi n PHE 3 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 176.76 179.06 1wpi h TRP 4 N 5.21 0.25 0.04 1.38 2.91 -2.04 -3.34 115.95 120.36 1wpi h TRP 4 Ca -0.45 -0.17 -0.28 0.00 1.13 0.00 0.00 58.89 59.12 1wpi h TRP 4 Cb 1.37 -0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.97 1wpi h TRP 4 CO 0.66 1.08 -1.52 0.87 -1.03 0.00 0.00 178.44 178.51 1wpi h LYS 5 N -0.65 0.09 -6.07 2.65 1.79 -1.96 -3.49 116.57 108.93 1wpi h LYS 5 Ca -0.06 -0.15 -0.20 0.00 -2.18 0.00 0.00 60.65 58.06 1wpi h LYS 5 Cb 1.21 0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.93 1wpi h LYS 5 CO 0.06 0.84 -1.03 -2.37 -1.08 0.00 0.00 179.45 175.87 1wpi n THR 6 N -3.26 -2.75 -3.61 -0.16 5.66 -1.26 -4.98 114.28 103.92 1wpi n THR 6 Ca -0.14 0.24 -0.16 0.00 -3.05 0.00 0.00 64.05 60.94 1wpi n THR 6 Cb 1.02 -3.00 -0.14 0.00 -1.55 0.00 0.00 70.33 66.67 1wpi n THR 6 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1wpi s LEU 7 N -1.65 -0.17 -0.93 1.09 1.98 -1.26 -5.07 118.68 112.67 1wpi s LEU 7 Ca 0.20 0.24 -0.28 0.00 -2.89 0.00 0.00 54.13 51.40 1wpi s LEU 7 Cb -0.02 0.46 -0.21 0.00 0.66 0.00 0.00 46.19 47.08 1wpi s LEU 7 CO 0.44 -0.27 2.50 1.67 -1.89 0.00 0.00 176.35 178.81 1wpi n GLN 8 N 5.33 0.00 -2.06 1.98 7.27 -1.26 -3.72 117.38 124.92 1wpi n GLN 8 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.02 1wpi n GLN 8 Cb 0.50 -1.38 0.00 0.00 2.41 0.00 0.00 30.24 31.76 1wpi n GLN 8 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1wpi n ARG 9 N 7.84 -5.70 -3.29 3.69 5.12 -1.26 -4.93 116.66 118.13 1wpi n ARG 9 Ca 0.62 4.05 -0.39 0.00 -1.93 0.00 0.00 57.85 60.20 1wpi n ARG 9 Cb 0.03 -4.40 -0.06 0.00 -1.16 0.00 0.00 32.46 26.87 1wpi n ARG 9 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1wpi s GLN 10 N -1.11 4.19 0.00 5.56 -2.07 -1.24 -5.02 119.66 119.97 1wpi s GLN 10 Ca 0.00 0.68 0.00 0.00 -1.82 0.00 0.00 55.36 54.22 1wpi s GLN 10 Cb 0.00 -3.27 0.00 0.00 -1.09 0.00 0.00 33.01 28.65 1wpi s GLN 10 CO 0.00 0.57 0.00 -0.35 -1.32 0.00 0.00 175.29 174.19 1wpi n PRO 11 N 2.05 0.41 0.00 9.60 -0.04 -1.26 -4.93 135.00 140.82 1wpi n PRO 11 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1wpi n PRO 11 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1wpi n PRO 11 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1wpi n ARG 12 N -0.50 0.00 -3.69 0.54 3.00 -1.26 -4.99 116.66 109.76 1wpi n ARG 12 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.47 1wpi n ARG 12 Cb 0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 32.46 32.07 1wpi n ARG 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1wpi s THR 13 N -1.40 4.24 -0.42 5.15 2.01 -1.26 -3.75 115.64 120.21 1wpi s THR 13 Ca 0.00 -0.74 -0.17 0.00 0.31 0.00 0.00 61.69 61.09 1wpi s THR 13 Cb 0.00 -3.26 0.02 0.00 0.01 0.00 0.00 72.50 69.27 1wpi s THR 13 CO 0.00 -0.04 0.43 -0.63 -0.69 0.00 0.00 174.62 173.69 1wpi s ILE 14 N 1.52 5.10 -0.66 1.82 -1.09 -1.15 -3.73 121.20 123.00 1wpi s ILE 14 Ca 0.02 -0.36 -0.19 0.00 -2.23 0.00 0.00 60.65 57.89 1wpi s ILE 14 Cb -0.18 -4.03 0.12 0.00 -1.58 0.00 0.00 42.46 36.79 1wpi s ILE 14 CO 0.04 -0.41 0.79 -0.44 -1.23 0.00 0.00 174.94 173.69 1wpi s SER 15 N 1.80 6.29 -0.21 3.58 0.01 0.18 -1.70 113.70 123.66 1wpi s SER 15 Ca 0.12 -1.60 -0.06 0.00 1.31 0.00 0.00 55.95 55.72 1wpi s SER 15 Cb -0.17 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 1wpi s SER 15 CO 0.13 -1.09 0.03 -0.22 0.41 0.00 0.00 173.24 172.51 1wpi s LEU 16 N 2.57 3.43 0.12 2.44 1.98 -0.02 0.45 118.68 129.65 1wpi s LEU 16 Ca 0.16 -0.13 0.00 0.00 -2.89 0.00 0.00 54.13 51.27 1wpi s LEU 16 Cb -0.20 -1.88 -0.04 0.00 0.66 0.00 0.00 46.19 44.73 1wpi s LEU 16 CO 0.03 0.07 0.28 -0.36 -1.89 0.00 0.00 176.35 174.48 1wpi s PHE 17 N 0.97 3.50 -0.13 5.38 0.08 0.16 -1.44 117.98 126.49 1wpi s PHE 17 Ca 0.02 0.24 -0.05 0.00 0.12 0.00 0.00 56.93 57.27 1wpi s PHE 17 Cb -0.14 -1.76 -0.04 0.00 -0.57 0.00 0.00 43.02 40.51 1wpi s PHE 17 CO 0.02 0.52 0.04 0.99 -0.10 0.00 0.00 175.22 176.69 1wpi s THR 18 N -1.66 4.66 -0.27 0.64 2.01 -0.01 -2.56 115.64 118.45 1wpi s THR 18 Ca 0.36 -0.10 0.22 0.00 0.31 0.00 0.00 61.69 62.48 1wpi s THR 18 Cb -0.12 -3.03 0.50 0.00 0.01 0.00 0.00 72.50 69.86 1wpi s THR 18 CO 0.28 0.55 1.10 0.59 -0.69 0.00 0.00 174.62 176.44 1wpi n ASN 19 N 2.71 1.65 -0.65 3.53 4.13 -1.21 -3.89 115.26 121.53 1wpi n ASN 19 Ca -0.18 -2.14 0.08 0.00 1.68 0.00 0.00 54.58 54.02 1wpi n ASN 19 Cb 0.53 -0.48 -0.04 0.00 -1.54 0.00 0.00 39.78 38.25 1wpi n ASN 19 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1wpi n ASP 20 N -0.55 -3.56 0.00 6.41 2.03 -1.26 -2.97 116.55 116.65 1wpi n ASP 20 Ca 0.08 0.65 0.00 0.00 0.52 0.00 0.00 54.79 56.04 1wpi n ASP 20 Cb 0.81 -2.24 0.00 0.00 -0.72 0.00 0.00 41.12 38.97 1wpi n ASP 20 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1wpi n ILE 21 N -3.07 0.00 0.00 5.18 5.41 -1.26 -2.48 119.36 123.14 1wpi n ILE 21 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1wpi n ILE 21 Cb 0.31 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.24 1wpi n ILE 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wpi n ALA 22 N -1.48 0.00 -0.83 -1.39 0.00 -1.26 -4.68 120.51 110.87 1wpi n ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wpi n ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wpi n ALA 22 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wpi n SER 23 N 0.00 0.00 -4.35 0.00 7.64 -1.26 -4.08 113.62 111.57 1wpi n SER 23 Ca 0.00 0.58 -0.46 0.00 1.01 0.00 0.00 58.87 60.01 1wpi n SER 23 Cb 0.00 -0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.08 1wpi n SER 23 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1wpi s ASN 24 N -2.39 6.40 0.32 6.43 -0.87 -1.26 -4.90 114.94 118.67 1wpi s ASN 24 Ca 0.00 -1.95 0.09 0.00 -1.57 0.00 0.00 52.86 49.43 1wpi s ASN 24 Cb 0.00 -2.26 0.88 0.00 -0.02 0.00 0.00 41.25 39.84 1wpi s ASN 24 CO 0.00 -0.89 1.73 0.40 -2.57 0.00 0.00 177.10 175.76 1wpi h ILE 25 N 5.58 0.53 0.00 0.60 5.03 -1.94 2.32 117.51 129.63 1wpi h ILE 25 Ca -0.13 -0.19 -0.01 0.00 -0.12 0.00 0.00 64.86 64.41 1wpi h ILE 25 Cb 1.07 -0.09 -0.00 0.00 -3.03 0.00 0.00 36.82 34.77 1wpi h ILE 25 CO 0.99 0.10 -0.18 0.07 -0.68 0.00 0.00 178.15 178.45 1wpi h LYS 26 N 0.56 0.00 0.16 2.37 -0.00 -1.94 -3.22 116.57 114.51 1wpi h LYS 26 Ca 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 61.29 1wpi h LYS 26 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.44 1wpi h LYS 26 CO -0.48 0.14 -0.18 1.03 -0.00 0.00 0.00 179.45 179.96 1wpi h SER 27 N -1.00 -0.49 -1.55 7.07 0.87 -1.83 -1.38 113.55 115.24 1wpi h SER 27 Ca -0.01 0.04 0.51 0.00 -1.23 0.00 0.00 61.79 61.09 1wpi h SER 27 Cb 0.28 0.16 -0.12 0.00 -0.44 0.00 0.00 62.40 62.28 1wpi h SER 27 CO -0.01 -0.23 1.03 1.67 -0.53 0.00 0.00 176.83 178.76 1wpi n GLN 28 N -3.40 -0.03 0.00 2.24 7.27 0.78 0.85 117.38 125.09 1wpi n GLN 28 Ca -0.04 1.22 0.00 0.00 0.07 0.00 0.00 57.00 58.25 1wpi n GLN 28 Cb 0.16 -2.50 0.00 0.00 2.41 0.00 0.00 30.24 30.31 1wpi n GLN 28 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1wpi n LYS 29 N -4.52 0.00 -0.10 3.69 3.00 -0.53 -3.37 118.16 116.33 1wpi n LYS 29 Ca 0.42 0.09 -0.16 0.00 -0.00 0.00 0.00 58.31 58.66 1wpi n LYS 29 Cb 1.70 -0.72 -0.07 0.00 0.00 0.00 0.00 35.03 35.94 1wpi n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wpi n LEU 31 N -4.48 0.10 0.06 0.00 7.99 0.25 0.29 117.00 121.20 1wpi n LEU 31 Ca -0.25 1.08 -0.21 0.00 -0.01 0.00 0.00 56.01 56.63 1wpi n LEU 31 Cb 0.55 -0.47 -0.15 0.00 -0.11 0.00 0.00 43.42 43.24 1wpi n LEU 31 CO 0.14 -1.16 -0.08 1.56 -1.51 0.00 0.00 177.39 176.34 1wpi h GLN 32 N 0.00 0.32 -0.53 3.23 1.08 -0.88 -1.93 115.11 116.41 1wpi h GLN 32 Ca 0.48 -0.55 0.08 0.00 -1.45 0.00 0.00 58.65 57.21 1wpi h GLN 32 Cb 1.18 0.21 -0.07 0.00 -0.05 0.00 0.00 27.48 28.74 1wpi h GLN 32 CO -0.54 1.26 0.16 1.25 -0.95 0.00 0.00 178.83 180.01 1wpi h LEU 33 N -0.29 0.11 -0.46 1.46 5.85 0.45 0.33 115.31 122.76 1wpi h LEU 33 Ca -0.19 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1wpi h LEU 33 Cb 1.74 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.85 1wpi h LEU 33 CO 0.15 0.09 0.00 -0.07 -0.34 0.00 0.00 178.44 178.27 1wpi h LEU 34 N 0.32 0.00 0.00 2.25 4.07 0.12 -3.03 115.31 119.04 1wpi h LEU 34 Ca 0.26 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.22 1wpi h LEU 34 Cb 0.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1wpi h LEU 34 CO -0.30 0.00 0.01 1.17 -1.08 0.00 0.00 178.44 178.24 1wpi n LYS 35 N -2.86 0.00 0.03 1.13 4.81 0.12 -0.17 118.16 121.21 1wpi n LYS 35 Ca 0.03 0.10 -0.02 0.00 -0.87 0.00 0.00 58.31 57.54 1wpi n LYS 35 Cb 0.42 -1.51 -0.01 0.00 0.02 0.00 0.00 35.03 33.95 1wpi n LYS 35 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1wpi h GLY 36 N 0.00 -0.16 -5.04 3.14 0.00 -1.56 -3.44 103.07 96.02 1wpi h GLY 36 Ca 0.00 0.06 -0.25 0.00 0.00 0.00 0.00 47.33 47.14 1wpi h GLY 36 CO 0.00 -0.06 -0.62 1.22 0.00 0.00 0.00 176.54 177.09 1wpi n ASP 37 N -4.30 -0.70 -4.49 0.19 8.00 -0.85 -5.10 116.55 109.29 1wpi n ASP 37 Ca -0.02 -2.45 -0.38 0.00 0.71 0.00 0.00 54.79 52.65 1wpi n ASP 37 Cb 0.06 0.45 0.04 0.00 -0.02 0.00 0.00 41.12 41.64 1wpi n ASP 37 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1wpi n VAL 38 N -0.62 2.41 -2.01 2.53 3.14 0.76 -4.15 118.33 120.39 1wpi n VAL 38 Ca -0.02 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.86 1wpi n VAL 38 Cb 0.84 -0.74 0.00 0.00 -1.06 0.00 0.00 33.84 32.88 1wpi n VAL 38 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1wpi n SER 39 N 0.39 0.00 -3.07 6.55 7.64 -1.12 -4.88 113.62 119.14 1wpi n SER 39 Ca 0.12 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.82 1wpi n SER 39 Cb 0.47 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.65 1wpi n SER 39 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1wpi n HIS 40 N 0.00 -0.98 -0.60 1.43 -0.00 -1.26 -4.86 115.22 108.95 1wpi n HIS 40 Ca 0.00 -3.18 0.00 0.00 0.46 0.00 0.00 57.72 55.00 1wpi n HIS 40 Cb 0.00 0.17 0.00 0.00 -0.12 0.00 0.00 29.99 30.04 1wpi n HIS 40 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 1wpi n ARG 41 N 1.00 0.02 -3.59 1.57 0.00 -1.26 -5.04 116.66 109.36 1wpi n ARG 41 Ca 0.19 -0.14 -0.10 0.00 -0.00 0.00 0.00 57.85 57.80 1wpi n ARG 41 Cb 0.60 -0.59 -0.03 0.00 -0.00 0.00 0.00 32.46 32.45 1wpi n ARG 41 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 1wpi s PHE 42 N -0.04 -0.35 -0.27 2.89 -0.71 -1.26 -4.66 117.98 113.57 1wpi s PHE 42 Ca 0.00 0.06 -0.09 0.00 -1.04 0.00 0.00 56.93 55.86 1wpi s PHE 42 Cb 0.00 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.31 1wpi s PHE 42 CO 0.00 -0.93 0.13 -0.51 -1.34 0.00 0.00 175.22 172.56 1wpi s ASP 43 N -2.81 5.50 -0.06 1.98 1.01 -1.25 -4.89 116.67 116.14 1wpi s ASP 43 Ca 0.05 -0.22 -0.16 0.00 0.71 0.00 0.00 52.55 52.93 1wpi s ASP 43 Cb -0.02 -2.00 -0.05 0.00 1.01 0.00 0.00 42.92 41.86 1wpi s ASP 43 CO -0.07 -0.07 0.42 -0.69 0.21 0.00 0.00 175.17 174.97 1wpi s VAL 44 N 1.66 5.11 -0.23 -1.27 1.01 -1.26 -2.96 120.40 122.47 1wpi s VAL 44 Ca 0.06 0.86 0.01 0.00 0.00 0.00 0.00 61.98 62.91 1wpi s VAL 44 Cb -0.16 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.51 1wpi s VAL 44 CO 0.06 0.46 -0.12 -0.70 0.00 0.00 0.00 175.10 174.80 1wpi s GLU 45 N -0.23 2.71 -0.37 2.72 2.56 -0.69 -4.98 118.70 120.42 1wpi s GLU 45 Ca 0.24 -1.04 -0.03 0.00 0.00 0.00 0.00 54.97 54.14 1wpi s GLU 45 Cb -0.16 -2.83 0.08 0.00 2.00 0.00 0.00 34.13 33.23 1wpi s GLU 45 CO 0.11 -0.39 0.13 0.42 -0.56 0.00 0.00 175.26 174.98 1wpi s ILE 46 N 1.25 3.31 -0.01 -3.70 1.09 -1.26 -0.84 121.20 121.04 1wpi s ILE 46 Ca -0.01 -1.71 0.01 0.00 -1.10 0.00 0.00 60.65 57.84 1wpi s ILE 46 Cb -0.16 -3.10 0.00 0.00 -1.06 0.00 0.00 42.46 38.14 1wpi s ILE 46 CO -0.07 -0.44 -0.01 0.00 -0.10 0.00 0.00 174.94 174.31 1wpi s ALA 47 N 1.22 0.17 -0.29 9.38 0.00 -0.52 -5.00 121.76 126.72 1wpi s ALA 47 Ca 0.03 -0.03 -0.18 0.00 0.00 0.00 0.00 51.96 51.78 1wpi s ALA 47 Cb -0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 1wpi s ALA 47 CO -0.02 0.02 0.51 0.54 0.00 0.00 0.00 175.76 176.81 1wpi s ASN 48 N 0.14 6.39 -0.03 0.00 2.20 -1.26 -0.83 114.94 121.55 1wpi s ASN 48 Ca -0.01 0.35 -0.29 0.00 -0.94 0.00 0.00 52.86 51.97 1wpi s ASN 48 Cb -0.03 -2.27 0.10 0.00 -2.00 0.00 0.00 41.25 37.05 1wpi s ASN 48 CO -0.00 -0.34 0.89 -0.60 -2.94 0.00 0.00 177.10 174.11 1wpi s ARG 49 N 2.34 0.80 0.11 3.55 6.06 -1.25 -4.70 118.95 125.85 1wpi s ARG 49 Ca 0.20 -0.22 -0.21 0.00 -2.50 0.00 0.00 55.73 53.00 1wpi s ARG 49 Cb -0.15 0.37 -0.07 0.00 0.06 0.00 0.00 34.95 35.15 1wpi s ARG 49 CO 0.11 -0.33 0.65 0.12 -2.50 0.00 0.00 175.30 173.34 1wpi s PHE 50 N -2.75 3.83 -1.22 5.12 5.36 -1.26 -4.61 117.98 122.44 1wpi s PHE 50 Ca 0.03 1.40 -0.08 0.00 -0.96 0.00 0.00 56.93 57.32 1wpi s PHE 50 Cb -0.01 -2.59 -0.07 0.00 -0.34 0.00 0.00 43.02 40.01 1wpi s PHE 50 CO -0.07 0.55 2.48 -0.35 -1.46 0.00 0.00 175.22 176.37 1wpi n PRO 51 N 1.60 2.78 -1.73 10.12 -0.04 -1.26 -4.85 135.00 141.62 1wpi n PRO 51 Ca -0.08 -1.78 -0.41 0.00 -0.04 0.00 0.00 63.50 61.18 1wpi n PRO 51 Cb 0.50 -2.61 0.01 0.00 -0.04 0.00 0.00 33.50 31.36 1wpi n PRO 51 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wpi n THR 52 N 3.95 2.36 -0.14 0.52 -2.24 -1.26 -4.21 114.28 113.25 1wpi n THR 52 Ca 0.59 -0.50 0.28 0.00 -2.27 0.00 0.00 64.05 62.15 1wpi n THR 52 Cb 0.18 -1.71 0.62 0.00 -2.10 0.00 0.00 70.33 67.32 1wpi n THR 52 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1wpi h TRP 53 N 2.42 0.00 0.84 4.78 2.91 -1.93 1.32 115.95 126.29 1wpi h TRP 53 Ca -0.49 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.49 1wpi h TRP 53 Cb 1.28 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.93 1wpi h TRP 53 CO 0.50 0.00 -0.47 -0.44 -1.03 0.00 0.00 178.44 177.00 1wpi h ASP 54 N 0.00 -1.15 0.00 2.65 5.19 -1.96 0.11 116.42 121.25 1wpi h ASP 54 Ca 0.42 0.05 -0.06 0.00 -0.62 0.00 0.00 57.03 56.83 1wpi h ASP 54 Cb 2.20 0.32 -0.01 0.00 0.18 0.00 0.00 39.33 42.02 1wpi h ASP 54 CO -0.00 -0.74 -0.35 1.56 -3.12 0.00 0.00 179.24 176.58 1wpi h GLN 55 N -1.20 0.00 -0.59 3.56 7.50 -0.61 -3.29 115.11 120.48 1wpi h GLN 55 Ca -0.11 0.00 0.17 0.00 0.50 0.00 0.00 58.65 59.21 1wpi h GLN 55 Cb 0.95 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.45 1wpi h GLN 55 CO 0.15 0.71 0.73 1.25 -1.50 0.00 0.00 178.83 180.17 1wpi h LEU 56 N -1.00 0.00 -1.66 1.46 6.46 0.13 0.22 115.31 120.93 1wpi h LEU 56 Ca -0.08 0.00 0.33 0.00 -0.12 0.00 0.00 57.88 58.01 1wpi h LEU 56 Cb 0.84 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.72 1wpi h LEU 56 CO -0.05 0.00 1.03 1.56 -0.62 0.00 0.00 178.44 180.36 1wpi h GLN 57 N 0.00 0.00 0.08 1.25 1.08 -1.04 1.46 115.11 117.93 1wpi h GLN 57 Ca 0.28 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.47 1wpi h GLN 57 Cb 1.74 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.17 1wpi h GLN 57 CO -0.00 0.00 -0.04 1.88 -0.95 0.00 0.00 178.83 179.72 1wpi h TYR 58 N 0.00 -0.09 0.00 2.96 0.05 -0.80 -3.31 116.97 115.78 1wpi h TYR 58 Ca 0.55 -0.00 -0.07 0.00 0.05 0.00 0.00 58.73 59.26 1wpi h TYR 58 Cb 2.60 0.03 -0.01 0.00 1.01 0.00 0.00 36.73 40.36 1wpi h TYR 58 CO 0.00 0.44 -0.33 0.52 -1.05 0.00 0.00 178.16 177.74 1wpi h MET 59 N -0.91 0.00 -0.76 4.88 2.86 -0.46 -2.82 114.93 117.71 1wpi h MET 59 Ca -0.01 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 57.81 1wpi h MET 59 Cb 0.58 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.19 1wpi h MET 59 CO 0.02 0.33 0.52 0.07 1.06 0.00 0.00 176.91 178.91 1wpi h ARG 60 N 0.00 0.24 0.08 1.72 -0.00 0.17 0.26 114.38 116.85 1wpi h ARG 60 Ca -0.00 -0.01 -0.30 0.00 -0.00 0.00 0.00 59.98 59.66 1wpi h ARG 60 Cb 0.77 -0.05 -0.02 0.00 -0.00 0.00 0.00 29.97 30.67 1wpi h ARG 60 CO 0.04 0.16 -1.61 1.79 -0.00 0.00 0.00 179.97 180.35 1wpi h THR 61 N 0.25 0.82 0.26 0.08 1.35 -1.61 -3.40 112.91 110.66 1wpi h THR 61 Ca 0.38 -2.30 -0.01 0.00 -0.55 0.00 0.00 66.41 63.93 1wpi h THR 61 Cb 1.11 2.46 -0.01 0.00 -1.73 0.00 0.00 68.15 69.97 1wpi h THR 61 CO -0.09 0.66 -0.28 0.28 -0.25 0.00 0.00 175.52 175.83 1wpi h SER 62 N -0.38 -0.79 -3.44 5.36 0.02 -1.11 -3.41 113.55 109.79 1wpi h SER 62 Ca -0.37 0.06 -0.54 0.00 -0.84 0.00 0.00 61.79 60.11 1wpi h SER 62 Cb 1.72 0.26 -0.03 0.00 0.14 0.00 0.00 62.40 64.49 1wpi h SER 62 CO -0.02 -0.37 -0.02 0.00 -1.14 0.00 0.00 176.83 175.28 1wpi h PRO 64 N 3.25 0.00 0.00 0.00 0.13 -1.82 -2.96 132.00 130.60 1wpi h PRO 64 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1wpi h PRO 64 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wpi h PRO 64 CO 0.66 0.51 -0.47 1.96 -0.23 0.00 0.00 178.00 180.43 1wpi h GLN 65 N 0.00 0.00 0.00 0.86 4.20 -1.91 -3.47 115.11 114.79 1wpi h GLN 65 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1wpi h GLN 65 Cb 1.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.92 1wpi h GLN 65 CO 0.07 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.64 1wpi n GLY 66 N 1.18 0.51 0.19 3.46 0.00 -1.12 0.35 105.19 109.77 1wpi n GLY 66 Ca 0.02 0.59 -0.16 0.00 0.00 0.00 0.00 46.02 46.47 1wpi n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wpi h PRO 67 N 0.00 0.61 -1.19 1.61 0.13 -1.90 -3.15 132.00 128.11 1wpi h PRO 67 Ca 0.00 -0.60 0.37 0.00 -0.87 0.00 0.00 66.00 64.90 1wpi h PRO 67 Cb 0.00 0.16 -0.12 0.00 0.13 0.00 0.00 31.00 31.16 1wpi h PRO 67 CO 0.00 1.21 0.76 0.28 -0.23 0.00 0.00 178.00 180.02 1wpi h VAL 68 N 0.37 0.26 0.02 1.56 2.07 0.58 3.04 116.25 124.16 1wpi h VAL 68 Ca -0.09 -0.07 -0.25 0.00 0.82 0.00 0.00 66.70 67.12 1wpi h VAL 68 Cb 1.55 0.04 0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1wpi h VAL 68 CO 0.17 0.04 -0.99 0.28 0.02 0.00 0.00 177.57 177.09 1wpi h SER 69 N 0.20 0.83 0.33 0.57 0.02 -1.44 -2.05 113.55 112.01 1wpi h SER 69 Ca 0.74 -0.76 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1wpi h SER 69 Cb 2.15 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 64.43 1wpi h SER 69 CO -0.41 1.49 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.54 1wpi h LEU 70 N 0.26 -0.38 -1.47 5.07 4.07 0.14 -1.20 115.31 121.81 1wpi h LEU 70 Ca -0.13 -0.07 0.24 0.00 0.08 0.00 0.00 57.88 58.00 1wpi h LEU 70 Cb 1.66 0.10 -0.08 0.00 1.08 0.00 0.00 40.66 43.42 1wpi h LEU 70 CO 0.19 0.08 0.64 1.56 -1.08 0.00 0.00 178.44 179.84 1wpi h GLN 71 N -1.07 0.37 0.00 1.13 4.20 0.48 1.46 115.11 121.68 1wpi h GLN 71 Ca -0.05 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1wpi h GLN 71 Cb 0.42 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1wpi h GLN 71 CO 0.08 0.25 0.00 0.00 -0.67 0.00 0.00 178.83 178.48 1wpi h ARG 72 N 0.38 0.00 -0.55 1.46 2.47 -1.37 -3.19 114.38 113.58 1wpi h ARG 72 Ca 0.53 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 59.14 1wpi h ARG 72 Cb 1.37 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.67 1wpi h ARG 72 CO -0.22 0.00 -0.08 -0.56 0.56 0.00 0.00 179.97 179.68 1wpi h GLN 73 N 0.00 1.01 -7.17 0.04 -0.00 0.33 -3.45 115.11 105.88 1wpi h GLN 73 Ca 0.00 -0.35 -0.42 0.00 -0.00 0.00 0.00 58.65 57.88 1wpi h GLN 73 Cb 0.84 -0.08 0.20 0.00 -0.00 0.00 0.00 27.48 28.45 1wpi h GLN 73 CO 0.00 1.03 0.01 -1.50 -0.00 0.00 0.00 178.83 178.37 1wpi s ILE 74 N -4.89 1.72 0.11 1.86 2.07 -1.06 -4.72 121.20 116.29 1wpi s ILE 74 Ca -0.11 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.03 1wpi s ILE 74 Cb 0.13 -2.17 -0.19 0.00 0.13 0.00 0.00 42.46 40.36 1wpi s ILE 74 CO 0.86 0.00 1.28 1.55 -1.91 0.00 0.00 174.94 176.71 1wpi h PRO 75 N -2.79 0.63 -3.70 3.50 0.13 -1.87 -3.39 132.00 124.51 1wpi h PRO 75 Ca -0.54 -0.61 -0.70 0.00 -0.87 0.00 0.00 66.00 63.28 1wpi h PRO 75 Cb 1.33 0.16 -0.34 0.00 0.13 0.00 0.00 31.00 32.28 1wpi h PRO 75 CO 0.44 1.22 -0.34 0.15 -0.23 0.00 0.00 178.00 179.23 1wpi s LYS 76 N -3.46 2.60 -0.03 0.86 -0.14 -1.26 -4.93 119.74 113.38 1wpi s LYS 76 Ca -0.08 -2.45 -0.13 0.00 -1.36 0.00 0.00 55.97 51.95 1wpi s LYS 76 Cb 0.08 -3.78 -0.07 0.00 -1.68 0.00 0.00 37.83 32.38 1wpi s LYS 76 CO 0.90 -1.18 0.59 -0.07 -0.76 0.00 0.00 175.35 174.83 1wpi h LEU 77 N 7.21 -0.40 -1.39 3.17 -0.00 -1.76 0.17 115.31 122.30 1wpi h LEU 77 Ca -0.02 0.01 0.24 0.00 -0.00 0.00 0.00 57.88 58.11 1wpi h LEU 77 Cb 0.97 0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 41.70 1wpi h LEU 77 CO 0.72 -0.02 0.95 -2.24 -0.00 0.00 0.00 178.44 177.85 1wpi h ASP 78 N -1.00 0.00 0.00 -0.43 2.03 -1.91 9.19 116.42 124.29 1wpi h ASP 78 Ca -0.05 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.25 1wpi h ASP 78 Cb 0.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.86 1wpi h ASP 78 CO 0.08 0.00 -0.13 0.28 -1.03 0.00 0.00 179.24 178.44 1wpi h SER 79 N 0.00 0.00 -0.07 4.15 0.02 -1.92 -3.26 113.55 112.47 1wpi h SER 79 Ca 0.39 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 61.11 1wpi h SER 79 Cb 2.30 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.85 1wpi h SER 79 CO -0.00 0.54 -0.88 1.62 -1.14 0.00 0.00 176.83 176.96 1wpi h VAL 80 N -0.95 1.29 0.00 2.27 3.04 0.14 1.22 116.25 123.25 1wpi h VAL 80 Ca 0.00 -2.09 0.00 0.00 -1.01 0.00 0.00 66.70 63.60 1wpi h VAL 80 Cb 0.13 2.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 1wpi h VAL 80 CO 0.00 0.65 0.20 0.17 -1.01 0.00 0.00 177.57 177.58 1wpi h LEU 81 N 0.43 0.00 0.00 3.16 8.10 1.96 -3.36 115.31 125.59 1wpi h LEU 81 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.90 1wpi h LEU 81 Cb 1.53 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.75 1wpi h LEU 81 CO 0.18 0.00 0.00 0.29 -4.11 0.00 0.00 178.44 174.80 1wpi n LYS 82 N -2.41 0.00 0.00 0.17 4.76 -1.08 -4.96 118.16 114.64 1wpi n LYS 82 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1wpi n LYS 82 Cb 0.23 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.42 1wpi n LYS 82 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1wpi n TYR 83 N 0.00 0.00 0.00 2.13 9.36 -0.95 -4.94 117.16 122.76 1wpi n TYR 83 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1wpi n TYR 83 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1wpi n TYR 83 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1wpi n LYS 84 N 0.00 2.77 -0.35 2.98 0.00 0.42 -3.30 118.16 120.68 1wpi n LYS 84 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 58.31 58.58 1wpi n LYS 84 Cb 0.33 0.00 0.42 0.00 0.00 0.00 0.00 35.03 35.77 1wpi n LYS 84 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1wpi n HIS 85 N 0.00 0.07 -0.50 5.64 8.25 -1.26 0.24 115.22 127.67 1wpi n HIS 85 Ca 0.00 0.07 0.43 0.00 -0.26 0.00 0.00 57.72 57.96 1wpi n HIS 85 Cb 0.00 -0.35 0.78 0.00 1.12 0.00 0.00 29.99 31.54 1wpi n HIS 85 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wpi h THR 86 N 0.00 0.22 0.00 1.59 1.03 -1.74 -3.22 112.91 110.80 1wpi h THR 86 Ca 0.49 -0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.89 1wpi h THR 86 Cb 1.90 0.22 0.00 0.00 -1.07 0.00 0.00 68.15 69.19 1wpi h THR 86 CO -0.05 0.00 0.00 -0.67 -0.01 0.00 0.00 175.52 174.79 1wpi n ASP 87 N -4.09 0.00 -0.55 0.00 2.03 0.67 -4.18 116.55 110.44 1wpi n ASP 87 Ca 0.34 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.65 1wpi n ASP 87 Cb 1.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.99 1wpi n ASP 87 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1wpi n PRO 88 N 0.00 0.75 0.05 -0.67 -0.04 -1.26 -3.20 135.00 130.63 1wpi n PRO 88 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 1wpi n PRO 88 Cb 0.00 -1.35 -0.14 0.00 -0.04 0.00 0.00 33.50 31.97 1wpi n PRO 88 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wpi h THR 89 N 0.03 0.99 0.00 0.52 1.03 -1.76 -3.39 112.91 110.33 1wpi h THR 89 Ca 0.00 -2.47 -0.04 0.00 -0.01 0.00 0.00 66.41 63.89 1wpi h THR 89 Cb 0.41 2.76 -0.01 0.00 -1.07 0.00 0.00 68.15 70.24 1wpi h THR 89 CO 0.00 0.79 -1.85 0.49 -0.01 0.00 0.00 175.52 174.94 1wpi n PHE 90 N -3.74 0.00 0.00 0.00 3.72 -1.19 -4.41 117.46 111.83 1wpi n PHE 90 Ca -0.24 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 1wpi n PHE 90 Cb 1.00 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 1wpi n PHE 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wpi n GLY 91 N 1.57 -0.91 0.00 1.37 0.00 -1.20 -0.95 105.19 105.07 1wpi n GLY 91 Ca -0.07 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1wpi n GLY 91 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wpi n MET 92 N 0.00 0.00 -3.73 1.61 -0.00 -1.26 -1.68 117.12 112.06 1wpi n MET 92 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.70 57.32 1wpi n MET 92 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 33.22 33.11 1wpi n MET 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1wpi s ASP 93 N 0.00 5.35 -0.20 3.17 1.01 -1.25 -4.30 116.67 120.44 1wpi s ASP 93 Ca 0.00 -1.55 -0.19 0.00 0.71 0.00 0.00 52.55 51.52 1wpi s ASP 93 Cb 0.00 -1.88 -0.16 0.00 1.01 0.00 0.00 42.92 41.89 1wpi s ASP 93 CO 0.00 -0.46 0.13 -0.11 0.21 0.00 0.00 175.17 174.94 1wpi n LEU 94 N 4.76 1.85 -0.30 1.23 7.94 -0.13 -4.07 117.00 128.29 1wpi n LEU 94 Ca -0.09 0.46 0.32 0.00 -1.11 0.00 0.00 56.01 55.59 1wpi n LEU 94 Cb 0.43 -0.95 0.71 0.00 0.53 0.00 0.00 43.42 44.14 1wpi n LEU 94 CO 0.34 0.15 1.30 -0.61 -1.11 0.00 0.00 177.39 177.45 1wpi h GLN 95 N -1.00 0.06 -0.00 1.96 -0.00 -1.84 1.78 115.11 116.07 1wpi h GLN 95 Ca -0.29 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.35 1wpi h GLN 95 Cb 1.17 -0.01 -0.00 0.00 0.00 0.00 0.00 27.48 28.63 1wpi h GLN 95 CO -0.18 0.04 0.00 0.87 0.00 0.00 0.00 178.83 179.57 1wpi h LYS 96 N 0.07 0.00 0.00 1.69 1.79 -1.90 7.08 116.57 125.29 1wpi h LYS 96 Ca 0.54 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.62 1wpi h LYS 96 Cb 2.04 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 32.63 1wpi h LYS 96 CO -0.06 0.00 -2.33 0.00 -1.08 0.00 0.00 179.45 175.99 1wpi h VAL 98 N -0.70 0.00 -1.46 0.00 2.07 0.13 -2.33 116.25 113.96 1wpi h VAL 98 Ca -0.59 -0.54 0.42 0.00 0.82 0.00 0.00 66.70 66.81 1wpi h VAL 98 Cb 1.58 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 32.77 1wpi h VAL 98 CO -0.31 0.00 1.14 0.00 0.02 0.00 0.00 177.57 178.41 1wpi n GLN 99 N -2.84 0.00 0.00 1.57 -0.00 2.28 -4.32 117.38 114.07 1wpi n GLN 99 Ca 0.02 0.88 0.00 0.00 -0.00 0.00 0.00 57.00 57.90 1wpi n GLN 99 Cb 0.34 -2.06 0.00 0.00 -0.00 0.00 0.00 30.24 28.53 1wpi n GLN 99 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1wpi n ARG 100 N -3.42 0.00 0.00 2.61 0.00 -1.22 -4.95 116.66 109.69 1wpi n ARG 100 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.18 1wpi n ARG 100 Cb 1.57 0.00 0.00 0.00 0.00 0.00 0.00 32.46 34.03 1wpi n ARG 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wpi n GLY 101 N 0.00 -2.87 1.30 5.14 0.00 -0.88 -4.47 105.19 103.41 1wpi n GLY 101 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1wpi n GLY 101 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wpi n LEU 102 N 0.00 0.00 -3.95 0.99 0.00 -1.25 -4.14 117.00 108.65 1wpi n LEU 102 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 56.01 55.92 1wpi n LEU 102 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.32 1wpi n LEU 102 CO 0.00 0.00 -0.28 0.26 0.00 0.00 0.00 177.39 177.37 1wpi s TRP 103 N 0.00 0.22 -0.53 1.96 0.52 -1.26 -5.12 118.94 114.74 1wpi s TRP 103 Ca 0.00 -0.49 -0.17 0.00 0.02 0.00 0.00 56.10 55.46 1wpi s TRP 103 Cb 0.00 -0.17 0.10 0.00 -1.15 0.00 0.00 33.47 32.25 1wpi s TRP 103 CO 0.00 -0.28 0.54 -0.80 0.02 0.00 0.00 176.95 176.43 1wpi s ASN 104 N -1.77 6.18 0.00 2.95 -0.87 -1.26 -4.72 114.94 115.45 1wpi s ASN 104 Ca -0.10 -1.43 0.22 0.00 -1.57 0.00 0.00 52.86 49.97 1wpi s ASN 104 Cb -0.05 -2.24 0.98 0.00 -0.02 0.00 0.00 41.25 39.92 1wpi s ASN 104 CO -0.02 -0.86 1.71 -0.81 -2.57 0.00 0.00 177.10 174.54 1wpi n PRO 105 N 5.63 0.07 -2.71 -0.60 -0.04 -1.25 -4.86 135.00 131.24 1wpi n PRO 105 Ca -0.11 0.11 -0.10 0.00 -0.04 0.00 0.00 63.50 63.37 1wpi n PRO 105 Cb 0.42 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 1wpi n PRO 105 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1wpi n LYS 106 N -1.45 -0.96 -4.36 0.54 -0.00 -1.16 -4.80 118.16 105.96 1wpi n LYS 106 Ca 0.06 0.03 -0.26 0.00 -0.00 0.00 0.00 58.31 58.14 1wpi n LYS 106 Cb 0.24 -1.07 -0.12 0.00 -0.00 0.00 0.00 35.03 34.08 1wpi n LYS 106 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1wpi s GLU 107 N -3.55 1.34 -0.09 -1.58 2.02 -1.03 -4.74 118.70 111.06 1wpi s GLU 107 Ca 0.09 -1.35 -0.01 0.00 0.02 0.00 0.00 54.97 53.73 1wpi s GLU 107 Cb -0.05 -1.69 -0.03 0.00 0.10 0.00 0.00 34.13 32.46 1wpi s GLU 107 CO 0.27 0.38 -0.05 0.00 0.02 0.00 0.00 175.26 175.88 1wpi s ALA 108 N -1.35 3.03 -0.26 5.21 0.00 -1.26 -3.30 121.76 123.83 1wpi s ALA 108 Ca 0.14 -0.86 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 1wpi s ALA 108 Cb -0.09 -1.34 -0.00 0.00 0.00 0.00 0.00 23.12 21.69 1wpi s ALA 108 CO 0.06 0.50 0.03 -0.51 0.00 0.00 0.00 175.76 175.84 1wpi s LEU 109 N -0.56 3.43 -0.24 0.00 1.43 -1.06 -0.53 118.68 121.14 1wpi s LEU 109 Ca 0.09 -0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 1wpi s LEU 109 Cb -0.12 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 1wpi s LEU 109 CO 0.02 -0.10 0.05 0.86 0.23 0.00 0.00 176.35 177.41 1wpi s TRP 110 N 1.50 3.07 -0.06 0.29 -0.00 -1.08 0.35 118.94 123.02 1wpi s TRP 110 Ca 0.04 -0.48 -0.03 0.00 -0.00 0.00 0.00 56.10 55.63 1wpi s TRP 110 Cb -0.16 -2.21 0.03 0.00 -0.00 0.00 0.00 33.47 31.13 1wpi s TRP 110 CO 0.00 -0.37 0.14 0.14 -0.00 0.00 0.00 176.95 176.86 1wpi s VAL 111 N 1.54 -0.04 -0.01 5.86 -7.23 0.17 0.03 120.40 120.72 1wpi s VAL 111 Ca 0.06 0.14 0.05 0.00 -1.81 0.00 0.00 61.98 60.42 1wpi s VAL 111 Cb -0.15 -0.22 -0.03 0.00 0.56 0.00 0.00 36.38 36.54 1wpi s VAL 111 CO 0.03 0.06 -0.17 -0.62 -0.31 0.00 0.00 175.10 174.08 1wpi s ASP 112 N 0.90 3.85 0.00 4.85 -1.08 0.64 0.52 116.67 126.35 1wpi s ASP 112 Ca -0.07 -0.31 0.03 0.00 -0.52 0.00 0.00 52.55 51.68 1wpi s ASP 112 Cb -0.09 -0.71 0.03 0.00 -1.46 0.00 0.00 42.92 40.69 1wpi s ASP 112 CO -0.04 0.31 0.66 1.87 0.52 0.00 0.00 175.17 178.49 1wpi n TRP 113 N 2.03 0.02 -0.05 -5.34 -0.00 -1.24 -2.80 117.44 110.05 1wpi n TRP 113 Ca -0.17 -0.08 -0.21 0.00 -0.00 0.00 0.00 57.50 57.04 1wpi n TRP 113 Cb 0.52 -0.01 -0.13 0.00 -0.00 0.00 0.00 31.31 31.70 1wpi n TRP 113 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 1wpi h GLU 114 N 0.52 0.11 -0.20 5.87 4.39 -1.93 -3.38 114.58 119.96 1wpi h GLU 114 Ca 0.00 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1wpi h GLU 114 Cb 0.18 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1wpi h GLU 114 CO 0.00 1.09 0.00 0.09 -1.16 0.00 0.00 179.01 179.03 1wpi n ASN 115 N -4.11 3.18 -4.02 1.42 4.13 -1.26 -4.86 115.26 109.73 1wpi n ASN 115 Ca -0.30 -2.71 -0.32 0.00 1.68 0.00 0.00 54.58 52.93 1wpi n ASN 115 Cb 0.80 -0.40 0.01 0.00 -1.54 0.00 0.00 39.78 38.65 1wpi n ASN 115 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1wpi n LYS 116 N -0.47 -4.73 -4.02 3.52 2.85 -1.25 -4.93 118.16 109.12 1wpi n LYS 116 Ca 0.16 0.52 -0.35 0.00 -1.05 0.00 0.00 58.31 57.60 1wpi n LYS 116 Cb 0.68 -5.35 -0.14 0.00 -0.65 0.00 0.00 35.03 29.56 1wpi n LYS 116 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1wpi s LEU 117 N -7.28 2.80 0.18 -5.58 0.05 -1.12 -4.67 118.68 103.06 1wpi s LEU 117 Ca 0.69 -0.41 0.01 0.00 0.05 0.00 0.00 54.13 54.46 1wpi s LEU 117 Cb -0.35 -1.70 -0.04 0.00 -2.05 0.00 0.00 46.19 42.04 1wpi s LEU 117 CO 0.86 0.00 0.05 -0.69 -0.55 0.00 0.00 176.35 176.03 1wpi s VAL 118 N 1.33 0.42 0.00 1.48 1.01 -1.26 0.24 120.40 123.61 1wpi s VAL 118 Ca 0.04 -1.97 0.00 0.00 0.00 0.00 0.00 61.98 60.05 1wpi s VAL 118 Cb -0.14 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1wpi s VAL 118 CO -0.03 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.35 1wpi n GLY 119 N -0.25 1.49 3.64 4.51 0.00 0.10 -4.86 105.19 109.81 1wpi n GLY 119 Ca -0.04 0.37 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 1wpi n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wpi s ASN 120 N 0.00 2.59 0.00 1.61 4.22 -1.26 -2.62 114.94 119.47 1wpi s ASN 120 Ca 0.00 1.86 0.00 0.00 -2.14 0.00 0.00 52.86 52.58 1wpi s ASN 120 Cb 0.00 -2.43 0.00 0.00 1.28 0.00 0.00 41.25 40.10 1wpi s ASN 120 CO 0.00 -3.26 0.00 1.21 -2.04 0.00 0.00 177.10 173.01 1wpi n GLU 121 N -4.32 0.00 0.01 3.55 2.13 0.31 -4.35 120.64 117.97 1wpi n GLU 121 Ca 0.08 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.72 1wpi n GLU 121 Cb 0.53 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.15 1wpi n GLU 121 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1wpi h PRO 122 N 0.00 0.66 -0.31 5.31 0.13 -1.84 -3.05 132.00 132.90 1wpi h PRO 122 Ca 0.00 -0.64 0.09 0.00 -0.87 0.00 0.00 66.00 64.58 1wpi h PRO 122 Cb 0.00 0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 1wpi h PRO 122 CO 0.00 1.24 0.39 0.00 -0.23 0.00 0.00 178.00 179.40 1wpi h ALA 123 N 0.43 1.94 -0.36 -0.56 0.00 -1.90 0.25 119.26 119.05 1wpi h ALA 123 Ca -0.09 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1wpi h ALA 123 Cb 1.50 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.24 1wpi h ALA 123 CO 0.17 -0.54 -0.08 0.22 0.00 0.00 0.00 179.25 179.01 1wpi h ASP 124 N 0.00 -0.32 -0.34 0.00 3.58 -1.73 -1.29 116.42 116.32 1wpi h ASP 124 Ca 0.15 0.11 0.07 0.00 0.42 0.00 0.00 57.03 57.78 1wpi h ASP 124 Cb 0.92 0.22 -0.08 0.00 1.72 0.00 0.00 39.33 42.10 1wpi h ASP 124 CO -0.00 -0.11 -0.29 0.40 -2.88 0.00 0.00 179.24 176.36 1wpi h ILE 125 N 0.01 0.30 -0.71 2.25 2.04 -1.11 0.63 117.51 120.91 1wpi h ILE 125 Ca 0.18 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.18 1wpi h ILE 125 Cb 0.27 0.30 -0.13 0.00 -0.74 0.00 0.00 36.82 36.51 1wpi h ILE 125 CO -0.37 0.00 -0.18 -0.78 0.00 0.00 0.00 178.15 176.83 1wpi h ASP 126 N -0.25 -0.66 -0.45 1.72 3.58 -1.34 1.96 116.42 120.98 1wpi h ASP 126 Ca 0.16 0.21 0.08 0.00 0.42 0.00 0.00 57.03 57.91 1wpi h ASP 126 Cb 0.51 0.44 -0.07 0.00 1.72 0.00 0.00 39.33 41.93 1wpi h ASP 126 CO -0.48 -0.23 0.02 0.11 -2.88 0.00 0.00 179.24 175.77 1wpi h LYS 127 N 0.00 0.13 0.00 0.28 6.56 -0.20 -3.25 116.57 120.09 1wpi h LYS 127 Ca 0.34 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.92 1wpi h LYS 127 Cb 0.52 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 1wpi h LYS 127 CO -0.73 0.08 0.00 0.66 -2.06 0.00 0.00 179.45 177.40 1wpi n TYR 128 N -5.19 0.00 -3.91 -1.35 4.01 0.15 -4.88 117.16 105.98 1wpi n TYR 128 Ca 0.04 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.48 1wpi n TYR 128 Cb 0.24 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.13 1wpi n TYR 128 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1wpi s ILE 129 N 0.00 2.41 0.00 -0.72 -0.00 0.62 -4.92 121.20 118.59 1wpi s ILE 129 Ca 0.00 -3.20 0.00 0.00 -0.00 0.00 0.00 60.65 57.45 1wpi s ILE 129 Cb 0.00 -2.67 0.00 0.00 -0.00 0.00 0.00 42.46 39.79 1wpi s ILE 129 CO 0.00 -0.81 0.00 2.30 -0.00 0.00 0.00 174.94 176.43 1wpi n ILE 130 N 3.18 0.00 0.31 8.37 -0.00 -0.75 -4.28 119.36 126.19 1wpi n ILE 130 Ca 0.05 0.00 0.09 0.00 -0.00 0.00 0.00 62.75 62.89 1wpi n ILE 130 Cb 0.32 0.00 0.48 0.00 -0.00 0.00 0.00 39.64 40.44 1wpi n ILE 130 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 1wpi h GLN 131 N 0.00 0.00 -6.44 6.28 7.50 -1.84 -3.39 115.11 117.23 1wpi h GLN 131 Ca 0.00 0.00 -0.61 0.00 0.50 0.00 0.00 58.65 58.54 1wpi h GLN 131 Cb 0.00 0.00 -0.20 0.00 0.05 0.00 0.00 27.48 27.33 1wpi h GLN 131 CO 0.00 0.00 -0.83 -0.98 -1.50 0.00 0.00 178.83 175.52 1wpi s ARG 132 N -3.93 1.35 0.00 1.46 1.04 -1.26 -2.78 118.95 114.83 1wpi s ARG 132 Ca -0.02 -1.38 0.00 0.00 -1.04 0.00 0.00 55.73 53.29 1wpi s ARG 132 Cb 0.05 -1.65 0.00 0.00 -2.04 0.00 0.00 34.95 31.31 1wpi s ARG 132 CO 0.16 0.37 0.00 1.17 -0.04 0.00 0.00 175.30 176.96