#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpi s SER 2 N 0.00 -0.67 -0.38 7.83 1.04 -1.26 -5.11 113.70 115.15 1wpi s SER 2 Ca 0.00 1.13 0.02 0.00 0.48 0.00 0.00 55.95 57.58 1wpi s SER 2 Cb 0.00 1.02 0.18 0.00 0.10 0.00 0.00 66.02 67.32 1wpi s SER 2 CO 0.00 -0.21 0.77 0.72 0.98 0.00 0.00 173.24 175.50 1wpi s PHE 3 N 1.32 -1.28 -0.02 5.02 -0.71 -1.26 -5.01 117.98 116.05 1wpi s PHE 3 Ca -0.08 0.22 -0.10 0.00 -1.04 0.00 0.00 56.93 55.92 1wpi s PHE 3 Cb -0.07 0.23 -0.31 0.00 -1.21 0.00 0.00 43.02 41.67 1wpi s PHE 3 CO -0.13 -0.86 0.80 2.35 -1.34 0.00 0.00 175.22 176.04 1wpi h TRP 4 N 6.53 0.73 0.00 3.49 2.91 -1.99 -3.20 115.95 124.41 1wpi h TRP 4 Ca 0.02 -0.53 0.00 0.00 1.13 0.00 0.00 58.89 59.51 1wpi h TRP 4 Cb 1.20 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.82 1wpi h TRP 4 CO 0.06 1.58 0.00 1.63 -1.03 0.00 0.00 178.44 180.69 1wpi n LYS 5 N -3.59 0.06 -3.02 2.65 4.76 -1.26 -4.96 118.16 112.79 1wpi n LYS 5 Ca -0.21 0.21 -0.01 0.00 -2.87 0.00 0.00 58.31 55.43 1wpi n LYS 5 Cb 1.08 -1.59 -0.01 0.00 -1.84 0.00 0.00 35.03 32.67 1wpi n LYS 5 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1wpi n THR 6 N -1.69 -3.82 -3.64 -0.18 -1.04 -1.21 -4.91 114.28 97.78 1wpi n THR 6 Ca 0.04 0.68 -0.03 0.00 -2.04 0.00 0.00 64.05 62.70 1wpi n THR 6 Cb 0.25 -3.57 -0.06 0.00 -1.82 0.00 0.00 70.33 65.13 1wpi n THR 6 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1wpi s LEU 7 N -0.54 -0.10 -0.40 -4.42 2.96 -1.26 -5.01 118.68 109.91 1wpi s LEU 7 Ca -0.04 0.17 -0.27 0.00 -0.22 0.00 0.00 54.13 53.77 1wpi s LEU 7 Cb 0.00 1.19 -0.04 0.00 0.50 0.00 0.00 46.19 47.85 1wpi s LEU 7 CO 0.17 -0.04 2.05 -1.58 -1.32 0.00 0.00 176.35 175.63 1wpi s GLN 8 N -0.20 2.85 -0.01 1.98 0.74 -1.26 -4.22 119.66 119.54 1wpi s GLN 8 Ca 0.07 1.39 -0.02 0.00 0.05 0.00 0.00 55.36 56.85 1wpi s GLN 8 Cb -0.04 -4.37 0.01 0.00 1.10 0.00 0.00 33.01 29.71 1wpi s GLN 8 CO -0.13 -2.43 0.04 0.54 -0.55 0.00 0.00 175.29 172.76 1wpi n ARG 9 N 8.80 -4.02 -2.21 1.67 1.74 -1.26 -4.87 116.66 116.50 1wpi n ARG 9 Ca 0.27 2.94 -0.40 0.00 -0.77 0.00 0.00 57.85 59.89 1wpi n ARG 9 Cb 0.49 -3.86 -0.03 0.00 -1.02 0.00 0.00 32.46 28.05 1wpi n ARG 9 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1wpi s GLN 10 N -0.48 4.40 0.77 5.56 1.03 -1.26 -4.88 119.66 124.81 1wpi s GLN 10 Ca -0.04 2.10 -0.11 0.00 0.04 0.00 0.00 55.36 57.34 1wpi s GLN 10 Cb 0.00 -3.08 0.05 0.00 0.03 0.00 0.00 33.01 30.02 1wpi s GLN 10 CO 0.12 -0.10 1.09 -1.25 -2.54 0.00 0.00 175.29 172.60 1wpi s PRO 11 N -1.74 2.34 -0.07 9.60 0.04 -1.26 -4.90 135.00 139.00 1wpi s PRO 11 Ca 0.48 0.73 -0.08 0.00 0.04 0.00 0.00 61.00 62.18 1wpi s PRO 11 Cb -0.37 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 1wpi s PRO 11 CO 0.49 -1.47 -0.17 -2.13 0.04 0.00 0.00 177.00 173.77 1wpi n ARG 12 N -3.34 0.26 -3.11 4.56 0.63 -1.26 -4.90 116.66 109.50 1wpi n ARG 12 Ca 0.07 0.11 -0.42 0.00 -0.92 0.00 0.00 57.85 56.69 1wpi n ARG 12 Cb 0.55 -0.95 -0.07 0.00 0.45 0.00 0.00 32.46 32.45 1wpi n ARG 12 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1wpi s THR 13 N -2.36 4.87 -0.37 5.15 2.01 -1.26 -3.23 115.64 120.44 1wpi s THR 13 Ca -0.15 0.39 -0.14 0.00 0.31 0.00 0.00 61.69 62.10 1wpi s THR 13 Cb 0.04 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.43 1wpi s THR 13 CO 0.21 -0.43 0.26 -0.63 -0.69 0.00 0.00 174.62 173.35 1wpi s ILE 14 N 2.75 5.20 -0.49 1.82 -1.09 -1.15 -3.60 121.20 124.64 1wpi s ILE 14 Ca 0.24 -0.48 -0.16 0.00 -2.23 0.00 0.00 60.65 58.01 1wpi s ILE 14 Cb -0.14 -3.79 0.08 0.00 -1.58 0.00 0.00 42.46 37.02 1wpi s ILE 14 CO 0.17 -0.17 0.46 -0.55 -1.23 0.00 0.00 174.94 173.61 1wpi s SER 15 N 1.69 6.17 0.08 3.58 0.15 0.54 -1.07 113.70 124.83 1wpi s SER 15 Ca 0.05 -1.30 0.06 0.00 0.70 0.00 0.00 55.95 55.46 1wpi s SER 15 Cb -0.18 -2.21 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 1wpi s SER 15 CO 0.10 -0.72 -0.07 -0.76 1.20 0.00 0.00 173.24 172.99 1wpi s LEU 16 N 1.84 3.17 0.26 3.45 1.43 -0.40 -0.08 118.68 128.37 1wpi s LEU 16 Ca 0.06 -0.29 0.11 0.00 -1.03 0.00 0.00 54.13 52.97 1wpi s LEU 16 Cb -0.24 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 1wpi s LEU 16 CO 0.07 0.19 -0.11 -0.36 0.23 0.00 0.00 176.35 176.37 1wpi s PHE 17 N -1.21 2.48 -0.04 0.29 0.08 -0.16 -1.70 117.98 117.72 1wpi s PHE 17 Ca 0.22 -0.28 -0.03 0.00 0.12 0.00 0.00 56.93 56.96 1wpi s PHE 17 Cb -0.11 -1.10 -0.04 0.00 -0.57 0.00 0.00 43.02 41.20 1wpi s PHE 17 CO 0.14 0.66 0.12 0.99 -0.10 0.00 0.00 175.22 177.03 1wpi s THR 18 N -2.34 5.13 -0.45 0.64 2.01 0.23 -2.68 115.64 118.18 1wpi s THR 18 Ca 0.30 -0.16 0.07 0.00 0.31 0.00 0.00 61.69 62.21 1wpi s THR 18 Cb -0.06 -3.32 0.31 0.00 0.01 0.00 0.00 72.50 69.44 1wpi s THR 18 CO 0.17 0.43 0.99 0.59 -0.69 0.00 0.00 174.62 176.11 1wpi n ASN 19 N 1.38 -1.82 -1.29 3.53 4.13 -1.25 -4.07 115.26 115.86 1wpi n ASN 19 Ca -0.14 -3.49 0.14 0.00 1.68 0.00 0.00 54.58 52.77 1wpi n ASN 19 Cb 0.53 1.40 -0.08 0.00 -1.54 0.00 0.00 39.78 40.09 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 0.61 -6.52 0.00 6.41 -0.08 -1.26 -2.70 116.55 113.00 1wpi n ASP 20 Ca 0.10 1.20 0.00 0.00 -1.51 0.00 0.00 54.79 54.58 1wpi n ASP 20 Cb 0.67 -4.40 0.00 0.00 2.34 0.00 0.00 41.12 39.73 1wpi n ASP 20 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1wpi n ILE 21 N -4.12 0.00 0.00 5.18 -5.35 -1.26 -3.20 119.36 110.60 1wpi n ILE 21 Ca -0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1wpi n ILE 21 Cb 0.57 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 1wpi n ILE 21 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wpi n ALA 22 N -2.72 0.00 -1.00 -1.28 0.00 -1.26 -4.78 120.51 109.48 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 -4.49 0.00 7.64 -1.26 -3.82 113.62 111.69 1wpi n SER 23 Ca 0.00 0.14 -0.42 0.00 1.01 0.00 0.00 58.87 59.60 1wpi n SER 23 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 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 -2.85 6.18 0.44 6.43 -0.87 -1.26 -4.86 114.94 118.14 1wpi s ASN 24 Ca 0.00 -0.80 0.21 0.00 -1.57 0.00 0.00 52.86 50.71 1wpi s ASN 24 Cb 0.00 -2.46 1.18 0.00 -0.02 0.00 0.00 41.25 39.94 1wpi s ASN 24 CO 0.00 -1.55 1.83 0.40 -2.57 0.00 0.00 177.10 175.21 1wpi h ILE 25 N 5.99 0.59 0.00 0.60 1.08 -1.94 2.28 117.51 126.11 1wpi h ILE 25 Ca -0.28 -0.11 -0.01 0.00 -0.39 0.00 0.00 64.86 64.07 1wpi h ILE 25 Cb 1.06 0.24 -0.00 0.00 -3.07 0.00 0.00 36.82 35.05 1wpi h ILE 25 CO 1.21 0.06 -0.07 0.07 -0.69 0.00 0.00 178.15 178.72 1wpi h LYS 26 N 0.32 0.00 0.37 2.37 -0.00 -1.93 -3.06 116.57 114.63 1wpi h LYS 26 Ca 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 61.15 1wpi h LYS 26 Cb 1.43 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.67 1wpi h LYS 26 CO -0.18 0.45 -0.18 1.03 -0.00 0.00 0.00 179.45 180.57 1wpi h SER 27 N -1.00 -0.42 -1.50 7.07 0.87 -1.68 -2.57 113.55 114.33 1wpi h SER 27 Ca -0.01 0.01 0.46 0.00 -1.23 0.00 0.00 61.79 61.02 1wpi h SER 27 Cb 0.49 0.11 -0.10 0.00 -0.44 0.00 0.00 62.40 62.45 1wpi h SER 27 CO -0.01 -0.29 1.02 -0.61 -0.53 0.00 0.00 176.83 176.41 1wpi h GLN 28 N -0.50 0.06 0.00 2.24 5.75 0.36 0.69 115.11 123.70 1wpi h GLN 28 Ca -0.05 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1wpi h GLN 28 Cb 0.38 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.91 1wpi h GLN 28 CO 0.08 0.04 0.00 1.17 -2.65 0.00 0.00 178.83 177.47 1wpi n LYS 29 N -4.40 0.00 -0.13 1.69 3.00 -0.97 -3.41 118.16 113.93 1wpi n LYS 29 Ca 0.38 0.13 -0.27 0.00 -0.00 0.00 0.00 58.31 58.55 1wpi n LYS 29 Cb 1.57 -0.72 -0.11 0.00 0.00 0.00 0.00 35.03 35.78 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 -4.28 0.00 0.06 0.00 7.99 0.22 0.21 117.00 121.19 1wpi n LEU 31 Ca -0.47 1.22 -0.21 0.00 -0.01 0.00 0.00 56.01 56.54 1wpi n LEU 31 Cb 0.83 -0.48 -0.15 0.00 -0.11 0.00 0.00 43.42 43.51 1wpi n LEU 31 CO 0.09 -1.27 -0.01 1.56 -1.51 0.00 0.00 177.39 176.25 1wpi h GLN 32 N 0.00 0.32 -0.80 3.23 1.08 -1.02 -1.16 115.11 116.77 1wpi h GLN 32 Ca 0.48 -0.55 0.14 0.00 -1.45 0.00 0.00 58.65 57.27 1wpi h GLN 32 Cb 1.08 0.20 -0.09 0.00 -0.05 0.00 0.00 27.48 28.63 1wpi h GLN 32 CO -0.65 1.26 0.38 1.25 -0.95 0.00 0.00 178.83 180.12 1wpi h LEU 33 N -0.32 0.43 0.00 1.46 6.46 0.24 0.52 115.31 124.11 1wpi h LEU 33 Ca -0.16 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1wpi h LEU 33 Cb 1.70 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.67 1wpi h LEU 33 CO 0.16 0.18 -0.23 -0.07 -0.62 0.00 0.00 178.44 177.86 1wpi h LEU 34 N 0.55 0.00 0.00 2.25 4.07 0.14 -3.19 115.31 119.14 1wpi h LEU 34 Ca 0.43 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.37 1wpi h LEU 34 Cb 0.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1wpi h LEU 34 CO -0.37 0.01 0.02 1.17 -1.08 0.00 0.00 178.44 178.20 1wpi n LYS 35 N -2.73 0.00 0.15 1.13 0.00 0.18 -1.87 118.16 115.02 1wpi n LYS 35 Ca 0.04 0.31 -0.13 0.00 0.00 0.00 0.00 58.31 58.53 1wpi n LYS 35 Cb 0.50 -1.52 -0.08 0.00 0.00 0.00 0.00 35.03 33.93 1wpi n LYS 35 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1wpi h GLY 36 N 0.00 -0.42 -5.70 3.14 0.00 -1.52 -3.44 103.07 95.12 1wpi h GLY 36 Ca 0.00 0.15 0.09 0.00 0.00 0.00 0.00 47.33 47.57 1wpi h GLY 36 CO 0.00 -0.15 -0.21 0.99 0.00 0.00 0.00 176.54 177.17 1wpi s ASP 37 N -5.08 -0.84 0.90 0.19 1.01 -0.78 -5.13 116.67 106.94 1wpi s ASP 37 Ca -0.14 -0.23 -0.08 0.00 0.71 0.00 0.00 52.55 52.81 1wpi s ASP 37 Cb 0.02 1.23 0.13 0.00 1.01 0.00 0.00 42.92 45.32 1wpi s ASP 37 CO 0.56 -0.12 0.82 0.55 0.21 0.00 0.00 175.17 177.19 1wpi n VAL 38 N 4.44 0.00 0.00 -1.27 3.14 -1.21 -3.83 118.33 119.61 1wpi n VAL 38 Ca 0.08 -0.74 0.00 0.00 -2.96 0.00 0.00 64.34 60.72 1wpi n VAL 38 Cb 0.59 -1.52 0.00 0.00 -1.06 0.00 0.00 33.84 31.85 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 -3.40 0.00 0.00 6.55 7.64 -1.26 -4.81 113.62 118.33 1wpi n SER 39 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1wpi n SER 39 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1wpi n SER 39 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1wpi n HIS 40 N 0.00 0.00 0.00 1.43 8.25 -1.26 -5.05 115.22 118.59 1wpi n HIS 40 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1wpi n HIS 40 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1wpi n HIS 40 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1wpi n ARG 41 N 0.00 3.03 -3.83 -0.41 5.12 -1.25 -5.10 116.66 114.22 1wpi n ARG 41 Ca 0.00 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.84 1wpi n ARG 41 Cb 0.00 -0.63 -0.03 0.00 -1.16 0.00 0.00 32.46 30.64 1wpi n ARG 41 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 1wpi s PHE 42 N -0.94 -0.06 -0.22 -1.55 -0.71 -1.25 -5.02 117.98 108.23 1wpi s PHE 42 Ca 0.00 -0.33 -0.09 0.00 -1.04 0.00 0.00 56.93 55.46 1wpi s PHE 42 Cb 0.00 0.49 -0.05 0.00 -1.21 0.00 0.00 43.02 42.26 1wpi s PHE 42 CO 0.00 -1.07 0.12 -0.51 -1.34 0.00 0.00 175.22 172.42 1wpi s ASP 43 N -2.92 5.91 -0.07 1.98 1.11 -1.20 -4.96 116.67 116.52 1wpi s ASP 43 Ca 0.13 0.08 -0.10 0.00 0.18 0.00 0.00 52.55 52.84 1wpi s ASP 43 Cb -0.03 -2.05 -0.05 0.00 1.07 0.00 0.00 42.92 41.86 1wpi s ASP 43 CO 0.04 0.09 0.24 -0.69 1.18 0.00 0.00 175.17 176.03 1wpi s VAL 44 N 0.88 5.34 -0.20 -1.27 1.01 -1.26 -2.93 120.40 121.97 1wpi s VAL 44 Ca 0.06 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.49 1wpi s VAL 44 Cb -0.13 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.77 1wpi s VAL 44 CO 0.03 0.60 -0.16 -0.70 0.00 0.00 0.00 175.10 174.87 1wpi s GLU 45 N -1.07 2.61 -0.30 2.72 2.12 -0.23 -4.93 118.70 119.62 1wpi s GLU 45 Ca 0.18 -0.96 -0.06 0.00 0.36 0.00 0.00 54.97 54.50 1wpi s GLU 45 Cb -0.14 -2.61 0.02 0.00 0.26 0.00 0.00 34.13 31.66 1wpi s GLU 45 CO 0.08 -0.34 0.06 0.42 -0.54 0.00 0.00 175.26 174.94 1wpi s ILE 46 N 1.26 3.77 0.01 -3.70 1.09 -1.26 -1.27 121.20 121.11 1wpi s ILE 46 Ca 0.00 -0.83 0.02 0.00 -1.10 0.00 0.00 60.65 58.74 1wpi s ILE 46 Cb -0.15 -2.98 -0.01 0.00 -1.06 0.00 0.00 42.46 38.25 1wpi s ILE 46 CO -0.10 0.04 -0.05 0.00 -0.10 0.00 0.00 174.94 174.73 1wpi s ALA 47 N 1.45 0.42 -0.27 9.38 0.00 -0.69 -5.01 121.76 127.05 1wpi s ALA 47 Ca 0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 51.96 51.54 1wpi s ALA 47 Cb -0.18 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1wpi s ALA 47 CO 0.02 0.05 0.01 0.54 0.00 0.00 0.00 175.76 176.37 1wpi s ASN 48 N -0.62 4.74 -0.05 0.00 2.20 -1.26 0.74 114.94 120.69 1wpi s ASN 48 Ca -0.03 -0.80 -0.31 0.00 -0.94 0.00 0.00 52.86 50.79 1wpi s ASN 48 Cb -0.05 -1.77 0.11 0.00 -2.00 0.00 0.00 41.25 37.54 1wpi s ASN 48 CO -0.00 -0.16 1.09 -0.60 -2.94 0.00 0.00 177.10 174.48 1wpi s ARG 49 N 1.41 0.62 -0.15 3.55 6.06 -1.26 -4.83 118.95 124.35 1wpi s ARG 49 Ca 0.01 -0.28 -0.29 0.00 -2.50 0.00 0.00 55.73 52.67 1wpi s ARG 49 Cb -0.17 0.25 -0.04 0.00 0.06 0.00 0.00 34.95 35.05 1wpi s ARG 49 CO -0.01 -0.28 1.66 -0.59 -2.50 0.00 0.00 175.30 173.58 1wpi s PHE 50 N -2.77 2.01 -1.22 5.12 -0.71 -1.26 -4.49 117.98 114.66 1wpi s PHE 50 Ca 0.09 0.40 -0.08 0.00 -1.04 0.00 0.00 56.93 56.30 1wpi s PHE 50 Cb 0.00 -3.94 -0.07 0.00 -1.21 0.00 0.00 43.02 37.80 1wpi s PHE 50 CO -0.05 -3.38 2.46 -0.35 -1.34 0.00 0.00 175.22 172.56 1wpi n PRO 51 N 7.46 2.75 -2.45 1.99 -0.04 -1.26 -4.91 135.00 138.54 1wpi n PRO 51 Ca 0.19 -1.81 -0.38 0.00 -0.04 0.00 0.00 63.50 61.45 1wpi n PRO 51 Cb 0.44 -2.63 -0.04 0.00 -0.04 0.00 0.00 33.50 31.23 1wpi n PRO 51 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1wpi s THR 52 N 2.95 3.47 0.65 0.52 -4.23 -1.26 -4.86 115.64 112.88 1wpi s THR 52 Ca 0.53 1.29 0.26 0.00 -1.18 0.00 0.00 61.69 62.59 1wpi s THR 52 Cb 0.14 -3.75 0.28 0.00 1.34 0.00 0.00 72.50 70.50 1wpi s THR 52 CO -0.04 0.17 1.79 4.11 -0.54 0.00 0.00 174.62 180.11 1wpi h TRP 53 N 3.07 0.00 -0.81 3.99 0.09 -1.94 -0.98 115.95 119.38 1wpi h TRP 53 Ca -0.48 0.00 0.13 0.00 0.09 0.00 0.00 58.89 58.63 1wpi h TRP 53 Cb 1.22 0.00 -0.14 0.00 0.08 0.00 0.00 29.16 30.32 1wpi h TRP 53 CO 0.57 0.00 -0.39 0.22 0.09 0.00 0.00 178.44 178.94 1wpi h ASP 54 N 0.00 -1.39 0.00 0.11 3.58 -1.95 5.52 116.42 122.29 1wpi h ASP 54 Ca 0.05 0.28 -0.01 0.00 0.42 0.00 0.00 57.03 57.76 1wpi h ASP 54 Cb 0.95 0.70 -0.00 0.00 1.72 0.00 0.00 39.33 42.70 1wpi h ASP 54 CO -0.00 -0.30 -0.30 1.56 -2.88 0.00 0.00 179.24 177.33 1wpi h GLN 55 N -0.08 0.00 -0.04 0.28 4.20 -1.56 -3.33 115.11 114.58 1wpi h GLN 55 Ca 0.28 0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.00 1wpi h GLN 55 Cb 0.57 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 1wpi h GLN 55 CO -0.85 0.06 0.38 1.37 -0.67 0.00 0.00 178.83 179.12 1wpi h LEU 56 N -1.00 0.00 -1.54 1.46 -0.00 -1.40 -2.06 115.31 110.77 1wpi h LEU 56 Ca -0.01 0.00 0.45 0.00 -0.00 0.00 0.00 57.88 58.32 1wpi h LEU 56 Cb 0.33 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 40.92 1wpi h LEU 56 CO -0.01 0.00 1.10 1.67 -0.00 0.00 0.00 178.44 181.20 1wpi n GLN 57 N -2.95 -0.00 0.20 0.17 0.00 1.80 0.17 117.38 116.75 1wpi n GLN 57 Ca -0.01 0.88 -0.13 0.00 -0.00 0.00 0.00 57.00 57.74 1wpi n GLN 57 Cb 0.43 -2.00 -0.07 0.00 0.00 0.00 0.00 30.24 28.60 1wpi n GLN 57 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.06 178.94 1wpi h TYR 58 N 0.00 -0.49 0.04 3.69 0.05 -1.58 -2.91 116.97 115.77 1wpi h TYR 58 Ca 0.75 -0.01 -0.25 0.00 0.05 0.00 0.00 58.73 59.27 1wpi h TYR 58 Cb 2.95 0.16 0.01 0.00 1.01 0.00 0.00 36.73 40.86 1wpi h TYR 58 CO -0.00 -0.16 -1.05 0.52 -1.05 0.00 0.00 178.16 176.42 1wpi h MET 59 N -0.89 0.41 -0.29 4.88 2.86 0.14 -3.12 114.93 118.92 1wpi h MET 59 Ca -0.05 -0.51 0.08 0.00 -2.06 0.00 0.00 59.70 57.16 1wpi h MET 59 Cb 0.55 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1wpi h MET 59 CO 0.09 1.17 0.37 0.07 1.06 0.00 0.00 176.91 179.67 1wpi h ARG 60 N 0.21 0.00 0.12 1.72 -0.00 0.13 0.56 114.38 117.12 1wpi h ARG 60 Ca -0.11 0.00 -0.24 0.00 -0.00 0.00 0.00 59.98 59.63 1wpi h ARG 60 Cb 1.71 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 31.69 1wpi h ARG 60 CO 0.18 0.00 -1.19 1.79 -0.00 0.00 0.00 179.97 180.76 1wpi h THR 61 N 0.00 1.21 -0.05 0.08 1.35 -1.45 -3.28 112.91 110.76 1wpi h THR 61 Ca 0.14 -2.45 0.00 0.00 -0.55 0.00 0.00 66.41 63.55 1wpi h THR 61 Cb 0.88 2.88 0.00 0.00 -1.73 0.00 0.00 68.15 70.19 1wpi h THR 61 CO -0.00 0.70 0.00 -1.54 -0.25 0.00 0.00 175.52 174.43 1wpi n SER 62 N -4.01 0.33 -3.81 5.36 3.41 0.08 -4.72 113.62 110.26 1wpi n SER 62 Ca -0.21 -1.75 -0.13 0.00 -0.26 0.00 0.00 58.87 56.52 1wpi n SER 62 Cb 0.87 -0.03 -0.13 0.00 -0.26 0.00 0.00 64.21 64.65 1wpi n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wpi h PRO 64 N 6.17 0.29 -0.51 0.00 0.13 -1.85 -2.93 132.00 133.30 1wpi h PRO 64 Ca -0.28 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1wpi h PRO 64 Cb 1.19 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1wpi h PRO 64 CO 0.42 0.96 0.00 1.04 -0.23 0.00 0.00 178.00 180.20 1wpi n GLN 65 N -3.74 1.65 0.00 0.86 6.02 -1.26 -4.64 117.38 116.27 1wpi n GLN 65 Ca -0.04 -0.68 0.00 0.00 -0.01 0.00 0.00 57.00 56.26 1wpi n GLN 65 Cb 0.77 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.64 1wpi n GLN 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wpi n GLY 66 N 0.49 -0.13 0.13 1.08 0.00 -1.11 0.77 105.19 106.41 1wpi n GLY 66 Ca 0.06 0.03 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 0.11 -1.07 1.61 0.13 -1.85 -3.09 132.00 127.84 1wpi h PRO 67 Ca 0.00 -0.11 0.30 0.00 -0.87 0.00 0.00 66.00 65.32 1wpi h PRO 67 Cb 0.00 0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.10 1wpi h PRO 67 CO 0.00 0.84 0.75 0.28 -0.23 0.00 0.00 178.00 179.64 1wpi h VAL 68 N 0.07 0.48 0.14 1.56 2.07 -1.73 1.80 116.25 120.64 1wpi h VAL 68 Ca -0.02 -0.03 -0.30 0.00 0.82 0.00 0.00 66.70 67.17 1wpi h VAL 68 Cb 1.37 0.37 0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1wpi h VAL 68 CO 0.11 0.02 -1.27 0.28 0.02 0.00 0.00 177.57 176.73 1wpi h SER 69 N 0.10 0.77 0.27 0.57 0.02 0.44 -2.02 113.55 113.71 1wpi h SER 69 Ca 0.53 -0.74 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 1wpi h SER 69 Cb 1.92 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.22 1wpi h SER 69 CO -0.08 1.56 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.97 1wpi h LEU 70 N 0.21 -0.31 -0.70 5.07 -0.00 0.46 -0.84 115.31 119.20 1wpi h LEU 70 Ca -0.19 -0.13 0.13 0.00 -0.00 0.00 0.00 57.88 57.69 1wpi h LEU 70 Cb 1.95 0.08 -0.09 0.00 -0.00 0.00 0.00 40.66 42.60 1wpi h LEU 70 CO 0.24 0.18 0.26 0.06 -0.00 0.00 0.00 178.44 179.17 1wpi h GLN 71 N -1.02 0.39 0.00 1.13 3.07 0.22 0.61 115.11 119.51 1wpi h GLN 71 Ca -0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.67 1wpi h GLN 71 Cb 0.43 -0.09 -0.00 0.00 0.08 0.00 0.00 27.48 27.90 1wpi h GLN 71 CO 0.06 0.26 -0.04 0.00 0.09 0.00 0.00 178.83 179.20 1wpi h ARG 72 N 0.41 0.00 -0.35 0.06 2.47 -1.43 -2.71 114.38 112.82 1wpi h ARG 72 Ca 0.38 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.96 1wpi h ARG 72 Cb 0.55 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 1wpi h ARG 72 CO -0.39 0.04 -0.34 -0.56 0.56 0.00 0.00 179.97 179.29 1wpi h GLN 73 N 0.00 0.80 -7.20 0.04 -0.00 0.17 -3.44 115.11 105.47 1wpi h GLN 73 Ca -0.00 -0.38 -0.48 0.00 -0.00 0.00 0.00 58.65 57.79 1wpi h GLN 73 Cb 0.54 -0.00 0.06 0.00 -0.00 0.00 0.00 27.48 28.08 1wpi h GLN 73 CO 0.01 1.01 0.23 -1.50 -0.00 0.00 0.00 178.83 178.58 1wpi s ILE 74 N -4.42 3.61 0.76 1.86 2.07 -0.78 -4.69 121.20 119.62 1wpi s ILE 74 Ca -0.10 0.11 -0.11 0.00 -1.41 0.00 0.00 60.65 59.14 1wpi s ILE 74 Cb 0.12 -3.46 0.05 0.00 0.13 0.00 0.00 42.46 39.30 1wpi s ILE 74 CO 0.85 -0.50 1.08 -2.16 -1.91 0.00 0.00 174.94 172.31 1wpi s PRO 75 N -5.08 2.38 -0.75 3.50 0.04 -1.26 -4.32 135.00 129.51 1wpi s PRO 75 Ca 0.55 0.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.31 1wpi s PRO 75 Cb -0.11 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1wpi s PRO 75 CO 0.47 -1.44 0.66 1.17 0.04 0.00 0.00 177.00 177.89 1wpi n LYS 76 N -3.33 -1.48 0.42 4.56 3.00 -1.26 -4.57 118.16 115.49 1wpi n LYS 76 Ca 0.07 1.24 -0.16 0.00 -0.00 0.00 0.00 58.31 59.46 1wpi n LYS 76 Cb 0.55 -4.27 -0.08 0.00 0.00 0.00 0.00 35.03 31.23 1wpi n LYS 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1wpi h LEU 77 N 0.31 -0.90 -1.26 3.14 -0.00 -1.82 0.23 115.31 115.00 1wpi h LEU 77 Ca -0.27 0.03 0.30 0.00 -0.00 0.00 0.00 57.88 57.94 1wpi h LEU 77 Cb 1.17 0.23 -0.04 0.00 -0.00 0.00 0.00 40.66 42.02 1wpi h LEU 77 CO 0.32 -0.63 1.13 -0.78 -0.00 0.00 0.00 178.44 178.48 1wpi h ASP 78 N -1.10 0.00 0.00 -0.43 3.58 -1.91 12.57 116.42 129.13 1wpi h ASP 78 Ca -0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1wpi h ASP 78 Cb 0.82 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.87 1wpi h ASP 78 CO 0.18 0.00 -0.14 -1.28 -2.88 0.00 0.00 179.24 175.12 1wpi h SER 79 N 0.00 0.00 0.44 2.28 0.87 -1.63 -3.28 113.55 112.22 1wpi h SER 79 Ca 0.49 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.74 1wpi h SER 79 Cb 2.74 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 64.72 1wpi h SER 79 CO -0.01 0.50 -1.36 1.62 -0.53 0.00 0.00 176.83 177.05 1wpi h VAL 80 N -0.85 1.39 0.00 2.23 3.04 0.28 1.80 116.25 124.13 1wpi h VAL 80 Ca 0.00 -2.87 0.00 0.00 -1.01 0.00 0.00 66.70 62.82 1wpi h VAL 80 Cb 0.14 2.99 0.00 0.00 -2.01 0.00 0.00 31.29 32.41 1wpi h VAL 80 CO 0.00 0.85 0.00 -0.11 -1.01 0.00 0.00 177.57 177.30 1wpi n LEU 81 N -3.63 0.00 0.00 3.16 7.94 3.90 -4.26 117.00 124.11 1wpi n LEU 81 Ca -0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 1wpi n LEU 81 Cb 1.07 0.00 0.00 0.00 0.53 0.00 0.00 43.42 45.02 1wpi n LEU 81 CO 0.58 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 178.03 1wpi n LYS 82 N -0.95 0.00 0.00 1.96 0.00 -1.15 -4.85 118.16 113.17 1wpi n LYS 82 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.37 1wpi n LYS 82 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.06 1wpi n LYS 82 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1wpi n TYR 83 N 0.00 0.00 0.00 5.64 4.01 -0.75 -4.94 117.16 121.13 1wpi n TYR 83 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1wpi n TYR 83 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 1wpi n TYR 83 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1wpi n LYS 84 N 0.00 1.19 -0.09 -0.72 4.81 0.60 -2.98 118.16 120.97 1wpi n LYS 84 Ca 0.00 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.58 1wpi n LYS 84 Cb 0.08 0.00 0.22 0.00 0.02 0.00 0.00 35.03 35.35 1wpi n LYS 84 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1wpi n HIS 85 N 0.00 0.00 -0.25 5.64 8.25 -1.23 0.24 115.22 127.87 1wpi n HIS 85 Ca 0.00 0.00 0.30 0.00 -0.26 0.00 0.00 57.72 57.76 1wpi n HIS 85 Cb 0.00 -0.13 0.71 0.00 1.12 0.00 0.00 29.99 31.69 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 0.50 0.00 1.59 1.03 -1.68 -3.05 112.91 111.30 1wpi h THR 86 Ca 0.25 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 66.63 1wpi h THR 86 Cb 1.59 0.44 0.00 0.00 -1.07 0.00 0.00 68.15 69.12 1wpi h THR 86 CO -0.00 0.01 0.00 -0.67 -0.01 0.00 0.00 175.52 174.85 1wpi n ASP 87 N -4.28 0.00 -0.78 0.00 2.03 0.64 -3.83 116.55 110.34 1wpi n ASP 87 Ca 0.22 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1wpi n ASP 87 Cb 1.05 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.45 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 -2.89 135.00 130.83 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 -1.24 -0.13 0.00 -0.04 0.00 0.00 33.50 32.10 1wpi n PRO 88 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1wpi n THR 89 N 0.40 1.67 -0.06 0.52 5.66 -1.24 -4.59 114.28 116.65 1wpi n THR 89 Ca 0.00 -0.47 -0.05 0.00 -3.05 0.00 0.00 64.05 60.48 1wpi n THR 89 Cb 0.29 -1.78 -0.10 0.00 -1.55 0.00 0.00 70.33 67.19 1wpi n THR 89 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1wpi n PHE 90 N -3.74 0.00 0.00 1.09 3.72 -1.15 -4.41 117.46 112.96 1wpi n PHE 90 Ca -0.35 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 1wpi n PHE 90 Cb 0.94 -0.58 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 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 2.17 -1.89 0.00 1.37 0.00 -1.14 -0.23 105.19 105.46 1wpi n GLY 91 Ca -0.18 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.94 1.61 -0.00 -1.26 -1.61 117.12 111.92 1wpi n MET 92 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.70 57.37 1wpi n MET 92 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 33.22 33.08 1wpi n MET 92 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 1wpi s ASP 93 N -2.92 4.92 -0.19 3.17 -4.77 -1.25 -4.52 116.67 111.11 1wpi s ASP 93 Ca 0.00 -2.13 -0.18 0.00 -3.30 0.00 0.00 52.55 46.94 1wpi s ASP 93 Cb 0.00 -1.69 -0.14 0.00 -1.09 0.00 0.00 42.92 40.00 1wpi s ASP 93 CO 0.00 -0.43 0.08 -0.11 0.70 0.00 0.00 175.17 175.41 1wpi n LEU 94 N 4.34 1.85 0.21 2.11 -0.00 0.68 -3.90 117.00 122.29 1wpi n LEU 94 Ca 0.02 0.48 0.17 0.00 -0.00 0.00 0.00 56.01 56.68 1wpi n LEU 94 Cb 0.42 -0.93 0.83 0.00 -0.00 0.00 0.00 43.42 43.74 1wpi n LEU 94 CO 0.26 0.06 1.15 -0.61 -0.00 0.00 0.00 177.39 178.24 1wpi h GLN 95 N -1.00 0.00 0.00 1.96 -0.00 -1.85 1.43 115.11 115.65 1wpi h GLN 95 Ca -0.26 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.32 1wpi h GLN 95 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.55 1wpi h GLN 95 CO -0.16 0.00 -0.34 0.87 0.00 0.00 0.00 178.83 179.20 1wpi h LYS 96 N 0.00 0.00 0.02 1.69 1.79 -1.92 3.61 116.57 121.77 1wpi h LYS 96 Ca 0.08 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.17 1wpi h LYS 96 Cb 0.45 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.04 1wpi h LYS 96 CO -0.00 0.34 -2.39 0.00 -1.08 0.00 0.00 179.45 176.32 1wpi h VAL 98 N 0.01 0.74 -1.34 0.00 2.07 0.17 -2.20 116.25 115.71 1wpi h VAL 98 Ca -0.55 -1.96 0.40 0.00 0.82 0.00 0.00 66.70 65.41 1wpi h VAL 98 Cb 1.94 2.30 -0.06 0.00 -1.52 0.00 0.00 31.29 33.95 1wpi h VAL 98 CO -0.05 0.41 0.95 0.00 0.02 0.00 0.00 177.57 178.90 1wpi n GLN 99 N -3.24 -0.00 0.00 1.57 -0.00 1.20 -4.24 117.38 112.66 1wpi n GLN 99 Ca 0.02 0.80 0.00 0.00 -0.00 0.00 0.00 57.00 57.82 1wpi n GLN 99 Cb 0.68 -1.79 0.00 0.00 -0.00 0.00 0.00 30.24 29.13 1wpi n GLN 99 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1wpi n ARG 100 N -3.51 0.00 0.00 2.61 1.85 -1.24 -4.81 116.66 111.56 1wpi n ARG 100 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.16 1wpi n ARG 100 Cb 1.39 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.80 1wpi n ARG 100 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wpi n GLY 101 N 0.00 -2.24 3.21 2.89 0.00 -0.84 -4.45 105.19 103.77 1wpi n GLY 101 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.82 0.99 -0.00 -1.16 -4.19 117.00 108.82 1wpi n LEU 102 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 1wpi n LEU 102 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 1wpi n LEU 102 CO 0.00 0.00 -0.06 0.26 -0.00 0.00 0.00 177.39 177.59 1wpi s TRP 103 N 0.00 0.06 -0.56 1.96 0.51 -1.26 -5.11 118.94 114.55 1wpi s TRP 103 Ca 0.00 -0.39 -0.16 0.00 -2.12 0.00 0.00 56.10 53.43 1wpi s TRP 103 Cb 0.00 -0.00 0.13 0.00 -0.81 0.00 0.00 33.47 32.79 1wpi s TRP 103 CO 0.00 -0.53 0.54 -0.80 -0.51 0.00 0.00 176.95 175.65 1wpi s ASN 104 N -2.57 6.21 0.39 2.95 -0.87 -1.26 -4.64 114.94 115.16 1wpi s ASN 104 Ca 0.01 -1.77 0.27 0.00 -1.57 0.00 0.00 52.86 49.80 1wpi s ASN 104 Cb 0.02 -2.22 0.88 0.00 -0.02 0.00 0.00 41.25 39.91 1wpi s ASN 104 CO -0.08 -0.89 1.78 1.55 -2.57 0.00 0.00 177.10 176.89 1wpi h PRO 105 N 8.90 0.00 -3.95 -0.60 0.13 -1.86 -3.46 132.00 131.16 1wpi h PRO 105 Ca -0.29 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.71 1wpi h PRO 105 Cb 1.10 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.14 1wpi h PRO 105 CO 1.04 0.00 -0.19 0.36 -0.23 0.00 0.00 178.00 178.98 1wpi n LYS 106 N -2.77 -1.57 -4.05 0.86 0.00 -1.10 -4.80 118.16 104.75 1wpi n LYS 106 Ca 0.03 0.03 -0.24 0.00 -0.00 0.00 0.00 58.31 58.13 1wpi n LYS 106 Cb 0.38 -2.41 -0.04 0.00 -0.00 0.00 0.00 35.03 32.96 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 -3.29 3.11 -0.14 -1.58 2.02 -1.22 -4.81 118.70 112.78 1wpi s GLU 107 Ca 0.18 -0.86 -0.02 0.00 0.02 0.00 0.00 54.97 54.29 1wpi s GLU 107 Cb -0.10 -2.72 -0.02 0.00 0.10 0.00 0.00 34.13 31.39 1wpi s GLU 107 CO 0.22 0.45 -0.09 0.00 0.02 0.00 0.00 175.26 175.86 1wpi s ALA 108 N -1.92 2.77 -0.32 5.21 0.00 -1.26 -3.97 121.76 122.27 1wpi s ALA 108 Ca 0.33 -0.88 -0.20 0.00 0.00 0.00 0.00 51.96 51.21 1wpi s ALA 108 Cb -0.09 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 1wpi s ALA 108 CO 0.26 0.19 0.62 -0.51 0.00 0.00 0.00 175.76 176.32 1wpi s LEU 109 N 0.42 4.18 -0.21 0.00 2.01 -1.09 0.02 118.68 124.00 1wpi s LEU 109 Ca -0.07 0.33 -0.05 0.00 0.01 0.00 0.00 54.13 54.35 1wpi s LEU 109 Cb -0.15 -2.78 -0.02 0.00 0.01 0.00 0.00 46.19 43.25 1wpi s LEU 109 CO 0.04 -0.50 -0.01 0.86 1.01 0.00 0.00 176.35 177.76 1wpi s TRP 110 N 2.60 3.01 -0.12 0.29 -0.11 0.28 -0.99 118.94 123.90 1wpi s TRP 110 Ca 0.24 -0.63 -0.08 0.00 1.22 0.00 0.00 56.10 56.85 1wpi s TRP 110 Cb -0.15 -2.11 0.04 0.00 -1.50 0.00 0.00 33.47 29.75 1wpi s TRP 110 CO 0.12 -0.37 0.30 0.54 -4.62 0.00 0.00 176.95 172.92 1wpi s VAL 111 N 1.25 -0.02 -0.06 5.86 0.11 0.89 0.22 120.40 128.66 1wpi s VAL 111 Ca 0.03 0.08 0.04 0.00 -2.93 0.00 0.00 61.98 59.20 1wpi s VAL 111 Cb -0.15 -0.44 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1wpi s VAL 111 CO 0.00 0.03 -0.17 -0.62 -3.33 0.00 0.00 175.10 171.02 1wpi s ASP 112 N 0.91 2.19 0.00 3.54 -1.08 0.65 0.20 116.67 123.08 1wpi s ASP 112 Ca -0.06 -0.37 0.12 0.00 -0.52 0.00 0.00 52.55 51.72 1wpi s ASP 112 Cb -0.07 -0.80 0.28 0.00 -1.46 0.00 0.00 42.92 40.87 1wpi s ASP 112 CO -0.06 0.12 1.19 1.87 0.52 0.00 0.00 175.17 178.80 1wpi n TRP 113 N 3.41 0.39 -0.07 -5.34 -0.00 -1.24 -1.79 117.44 112.80 1wpi n TRP 113 Ca -0.20 -0.38 -0.22 0.00 -0.00 0.00 0.00 57.50 56.70 1wpi n TRP 113 Cb 0.53 -0.02 -0.12 0.00 -0.00 0.00 0.00 31.31 31.69 1wpi n TRP 113 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 1wpi n GLU 114 N 0.65 0.64 -0.31 5.87 0.00 -1.26 -4.35 120.64 121.88 1wpi n GLU 114 Ca 0.11 0.42 0.08 0.00 0.00 0.00 0.00 57.16 57.77 1wpi n GLU 114 Cb 0.41 -1.70 0.21 0.00 0.00 0.00 0.00 31.44 30.35 1wpi n GLU 114 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1wpi n ASN 115 N -4.04 3.36 -3.91 4.31 3.02 -1.26 -4.88 115.26 111.86 1wpi n ASN 115 Ca -0.35 -2.75 -0.29 0.00 -0.03 0.00 0.00 54.58 51.16 1wpi n ASN 115 Cb 0.84 -0.43 0.02 0.00 -0.61 0.00 0.00 39.78 39.60 1wpi n ASN 115 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1wpi n LYS 116 N -0.41 -5.26 -4.33 3.52 2.85 -1.23 -4.96 118.16 108.34 1wpi n LYS 116 Ca 0.17 0.58 -0.31 0.00 -1.05 0.00 0.00 58.31 57.70 1wpi n LYS 116 Cb 0.72 -5.40 -0.10 0.00 -0.65 0.00 0.00 35.03 29.60 1wpi n LYS 116 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1wpi s LEU 117 N -7.21 3.26 0.18 -5.58 1.43 -0.74 -4.98 118.68 105.04 1wpi s LEU 117 Ca 0.57 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.39 1wpi s LEU 117 Cb -0.29 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.01 1wpi s LEU 117 CO 0.84 0.25 0.38 0.68 0.23 0.00 0.00 176.35 178.72 1wpi s VAL 118 N -1.10 0.05 0.00 -1.59 -7.23 -1.26 0.24 120.40 109.50 1wpi s VAL 118 Ca 0.20 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 1wpi s VAL 118 Cb -0.11 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.09 1wpi s VAL 118 CO 0.11 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 1wpi n GLY 119 N -0.26 2.79 3.99 2.32 0.00 0.13 -4.95 105.19 109.21 1wpi n GLY 119 Ca -0.08 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 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 4.80 0.08 1.61 4.22 -1.26 -0.55 114.94 123.83 1wpi s ASN 120 Ca 0.00 -0.24 0.00 0.00 -2.14 0.00 0.00 52.86 50.48 1wpi s ASN 120 Cb 0.00 -0.37 0.00 0.00 1.28 0.00 0.00 41.25 42.16 1wpi s ASN 120 CO 0.00 -1.52 0.00 -0.62 -2.04 0.00 0.00 177.10 172.92 1wpi n GLU 121 N -2.58 -0.55 0.00 3.55 1.02 0.10 -4.28 120.64 117.91 1wpi n GLU 121 Ca 0.12 0.42 -0.18 0.00 -0.02 0.00 0.00 57.16 57.50 1wpi n GLU 121 Cb 0.60 -0.52 -0.10 0.00 -0.02 0.00 0.00 31.44 31.40 1wpi n GLU 121 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1wpi h PRO 122 N 0.04 0.57 -0.32 3.49 0.13 -1.91 -3.11 132.00 130.90 1wpi h PRO 122 Ca 0.00 -0.56 0.09 0.00 -0.87 0.00 0.00 66.00 64.67 1wpi h PRO 122 Cb 0.11 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.38 1wpi h PRO 122 CO 0.00 1.18 0.25 0.00 -0.23 0.00 0.00 178.00 179.20 1wpi h ALA 123 N 0.40 2.23 -0.29 -0.56 0.00 -1.92 -0.33 119.26 118.81 1wpi h ALA 123 Ca -0.08 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1wpi h ALA 123 Cb 1.40 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 1wpi h ALA 123 CO 0.15 -0.42 0.07 -0.44 0.00 0.00 0.00 179.25 178.61 1wpi h ASP 124 N 0.00 0.04 -0.44 0.00 5.19 -1.72 -2.18 116.42 117.31 1wpi h ASP 124 Ca 0.15 0.04 0.08 0.00 -0.62 0.00 0.00 57.03 56.68 1wpi h ASP 124 Cb 0.65 0.05 -0.09 0.00 0.18 0.00 0.00 39.33 40.12 1wpi h ASP 124 CO -0.00 0.06 -0.40 0.40 -3.12 0.00 0.00 179.24 176.18 1wpi h ILE 125 N 0.18 0.14 -0.52 0.35 2.04 -1.15 0.19 117.51 118.74 1wpi h ILE 125 Ca 0.13 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.09 1wpi h ILE 125 Cb 0.13 0.14 -0.11 0.00 -0.74 0.00 0.00 36.82 36.24 1wpi h ILE 125 CO -0.16 0.00 -0.28 -0.78 0.00 0.00 0.00 178.15 176.93 1wpi h ASP 126 N -0.28 -0.96 -0.56 1.72 3.58 -1.44 2.49 116.42 120.97 1wpi h ASP 126 Ca 0.16 0.20 0.11 0.00 0.42 0.00 0.00 57.03 57.92 1wpi h ASP 126 Cb 0.57 0.49 -0.09 0.00 1.72 0.00 0.00 39.33 42.02 1wpi h ASP 126 CO -0.59 -0.28 0.06 0.11 -2.88 0.00 0.00 179.24 175.66 1wpi h LYS 127 N -0.15 0.18 0.00 0.28 6.56 -0.30 -3.21 116.57 119.93 1wpi h LYS 127 Ca 0.23 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.81 1wpi h LYS 127 Cb 0.52 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.14 1wpi h LYS 127 CO -0.61 0.12 0.00 0.66 -2.06 0.00 0.00 179.45 177.56 1wpi n TYR 128 N -5.19 0.00 -3.83 -1.35 4.01 0.79 -4.86 117.16 106.73 1wpi n TYR 128 Ca 0.07 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.48 1wpi n TYR 128 Cb 0.30 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.22 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 3.16 0.00 -0.72 -0.00 0.80 -4.95 121.20 119.50 1wpi s ILE 129 Ca 0.00 -2.95 0.00 0.00 -0.00 0.00 0.00 60.65 57.70 1wpi s ILE 129 Cb 0.00 -3.13 0.00 0.00 -0.00 0.00 0.00 42.46 39.33 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 3.53 0.00 0.03 8.37 -6.64 -0.78 -4.13 119.36 119.73 1wpi n ILE 130 Ca 0.06 0.00 -0.12 0.00 -1.77 0.00 0.00 62.75 60.91 1wpi n ILE 130 Cb 0.37 0.00 -0.06 0.00 -1.44 0.00 0.00 39.64 38.51 1wpi n ILE 130 CO 0.00 0.00 0.00 1.56 -1.77 0.00 0.00 176.55 176.34 1wpi h GLN 131 N 0.00 -0.49 -0.32 6.28 7.50 -1.82 -2.62 115.11 123.65 1wpi h GLN 131 Ca 0.00 0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.18 1wpi h GLN 131 Cb 0.00 0.11 0.00 0.00 0.05 0.00 0.00 27.48 27.64 1wpi h GLN 131 CO 0.00 -0.32 0.00 2.89 -1.50 0.00 0.00 178.83 179.90 1wpi n ARG 132 N -5.44 3.01 -0.56 1.46 -4.01 -1.25 -4.85 116.66 105.02 1wpi n ARG 132 Ca -0.05 -2.57 0.00 0.00 -1.04 0.00 0.00 57.85 54.19 1wpi n ARG 132 Cb 0.36 -1.66 0.00 0.00 -3.04 0.00 0.00 32.46 28.12 1wpi n ARG 132 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76