#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 -1.73 -4.28 6.12 3.41 -1.26 -5.07 113.62 110.81 1wpi n SER 2 Ca 0.00 0.47 -0.33 0.00 -0.26 0.00 0.00 58.87 58.75 1wpi n SER 2 Cb 0.00 1.83 -0.17 0.00 -0.26 0.00 0.00 64.21 65.62 1wpi n SER 2 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1wpi n PHE 3 N -2.85 0.36 0.07 7.33 3.72 -1.26 -4.69 117.46 120.15 1wpi n PHE 3 Ca 0.00 0.25 -0.18 0.00 -0.05 0.00 0.00 57.45 57.46 1wpi n PHE 3 Cb 0.00 -1.69 -0.14 0.00 -0.94 0.00 0.00 39.48 36.70 1wpi n PHE 3 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 176.76 175.22 1wpi h TRP 4 N 11.10 0.53 0.00 1.38 6.55 -1.93 -2.03 115.95 131.55 1wpi h TRP 4 Ca -0.02 -0.39 0.00 0.00 0.95 0.00 0.00 58.89 59.43 1wpi h TRP 4 Cb 1.19 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 29.47 1wpi h TRP 4 CO 1.13 1.43 -0.41 0.87 -1.05 0.00 0.00 178.44 180.41 1wpi h LYS 5 N 0.08 0.00 -1.52 0.49 1.57 -1.83 -3.34 116.57 112.02 1wpi h LYS 5 Ca -0.25 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.01 1wpi h LYS 5 Cb 2.04 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.93 1wpi h LYS 5 CO 0.17 0.00 -0.89 2.41 -0.57 0.00 0.00 179.45 180.57 1wpi n THR 6 N -2.76 1.86 -1.87 -0.16 -1.04 -1.24 -4.62 114.28 104.45 1wpi n THR 6 Ca 0.03 -4.46 -0.43 0.00 -2.04 0.00 0.00 64.05 57.15 1wpi n THR 6 Cb 0.52 -0.64 -0.03 0.00 -1.82 0.00 0.00 70.33 68.36 1wpi n THR 6 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1wpi s LEU 7 N -3.31 3.78 -0.19 -4.42 -0.00 -0.77 -3.88 118.68 109.88 1wpi s LEU 7 Ca 0.41 1.81 -0.17 0.00 -0.00 0.00 0.00 54.13 56.19 1wpi s LEU 7 Cb 0.40 -3.52 0.03 0.00 -0.00 0.00 0.00 46.19 43.09 1wpi s LEU 7 CO -0.11 -1.51 0.28 1.67 -0.00 0.00 0.00 176.35 176.69 1wpi n GLN 8 N 8.10 -0.91 -2.15 1.48 -0.06 -1.26 -4.29 117.38 118.30 1wpi n GLN 8 Ca 0.23 0.86 0.00 0.00 -2.00 0.00 0.00 57.00 56.09 1wpi n GLN 8 Cb 0.45 -1.18 0.00 0.00 -4.06 0.00 0.00 30.24 25.45 1wpi n GLN 8 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1wpi n ARG 9 N 0.42 -4.64 -3.21 3.69 1.74 -1.25 -4.92 116.66 108.48 1wpi n ARG 9 Ca -0.04 3.30 -0.39 0.00 -0.77 0.00 0.00 57.85 59.96 1wpi n ARG 9 Cb 0.46 -3.90 -0.06 0.00 -1.02 0.00 0.00 32.46 27.95 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 -0.47 4.31 0.09 5.56 0.00 -1.26 -4.94 119.66 122.95 1wpi s GLN 10 Ca 0.00 0.72 -0.30 0.00 -0.00 0.00 0.00 55.36 55.77 1wpi s GLN 10 Cb 0.00 -3.34 -0.06 0.00 0.00 0.00 0.00 33.01 29.61 1wpi s GLN 10 CO 0.00 0.36 1.15 -1.25 0.00 0.00 0.00 175.29 175.56 1wpi s PRO 11 N -0.16 4.48 0.31 9.60 0.04 -1.26 -4.84 135.00 143.17 1wpi s PRO 11 Ca 0.31 1.73 0.12 0.00 0.04 0.00 0.00 61.00 63.20 1wpi s PRO 11 Cb -0.18 -3.34 0.49 0.00 0.04 0.00 0.00 34.50 31.51 1wpi s PRO 11 CO 0.17 -0.15 1.68 -0.09 0.04 0.00 0.00 177.00 178.65 1wpi h ARG 12 N 6.34 0.00 -4.63 4.56 2.43 -1.96 -3.41 114.38 117.71 1wpi h ARG 12 Ca -0.42 0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.13 1wpi h ARG 12 Cb 1.21 0.00 -0.37 0.00 -0.42 0.00 0.00 29.97 30.40 1wpi h ARG 12 CO 0.78 0.53 -0.82 0.99 -1.51 0.00 0.00 179.97 179.94 1wpi s THR 13 N -3.75 1.67 -0.23 0.20 2.01 -1.26 -4.12 115.64 110.16 1wpi s THR 13 Ca -0.01 -0.96 -0.10 0.00 0.31 0.00 0.00 61.69 60.93 1wpi s THR 13 Cb 0.13 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 1wpi s THR 13 CO 0.74 0.24 0.14 -0.63 -0.69 0.00 0.00 174.62 174.42 1wpi s ILE 14 N 1.40 5.22 -0.57 1.82 -1.09 -1.24 -3.80 121.20 122.93 1wpi s ILE 14 Ca 0.00 0.13 -0.15 0.00 -2.23 0.00 0.00 60.65 58.40 1wpi s ILE 14 Cb -0.15 -3.42 0.14 0.00 -1.58 0.00 0.00 42.46 37.44 1wpi s ILE 14 CO -0.09 0.36 0.52 -0.44 -1.23 0.00 0.00 174.94 174.06 1wpi s SER 15 N 0.99 6.19 -0.17 3.58 0.01 0.69 -2.15 113.70 122.85 1wpi s SER 15 Ca 0.07 -1.94 -0.04 0.00 1.31 0.00 0.00 55.95 55.35 1wpi s SER 15 Cb -0.13 -2.18 -0.02 0.00 0.21 0.00 0.00 66.02 63.89 1wpi s SER 15 CO 0.04 -0.79 -0.04 -0.22 0.41 0.00 0.00 173.24 172.63 1wpi s LEU 16 N 1.35 3.18 0.18 2.44 1.98 -0.81 0.56 118.68 127.56 1wpi s LEU 16 Ca 0.06 -0.18 0.00 0.00 -2.89 0.00 0.00 54.13 51.12 1wpi s LEU 16 Cb -0.27 -1.77 -0.04 0.00 0.66 0.00 0.00 46.19 44.77 1wpi s LEU 16 CO 0.01 0.14 0.35 -0.36 -1.89 0.00 0.00 176.35 174.60 1wpi s PHE 17 N 0.55 3.48 -0.11 5.38 0.08 0.12 -2.77 117.98 124.71 1wpi s PHE 17 Ca -0.03 0.27 -0.05 0.00 0.12 0.00 0.00 56.93 57.24 1wpi s PHE 17 Cb -0.14 -1.80 -0.04 0.00 -0.57 0.00 0.00 43.02 40.47 1wpi s PHE 17 CO 0.03 0.43 0.10 0.99 -0.10 0.00 0.00 175.22 176.66 1wpi s THR 18 N -1.82 5.15 -0.29 0.64 2.01 0.81 -2.09 115.64 120.05 1wpi s THR 18 Ca 0.37 0.07 0.19 0.00 0.31 0.00 0.00 61.69 62.63 1wpi s THR 18 Cb -0.11 -3.22 0.49 0.00 0.01 0.00 0.00 72.50 69.66 1wpi s THR 18 CO 0.29 0.62 1.08 -3.20 -0.69 0.00 0.00 174.62 172.71 1wpi n ASN 19 N 2.03 2.04 -1.17 3.53 4.05 -1.10 -3.45 115.26 121.19 1wpi n ASN 19 Ca -0.20 -2.46 0.10 0.00 0.45 0.00 0.00 54.58 52.47 1wpi n ASN 19 Cb 0.55 -0.48 -0.05 0.00 1.23 0.00 0.00 39.78 41.03 1wpi n ASN 19 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 1wpi n ASP 20 N -0.47 -5.17 0.00 1.20 -0.08 -1.25 -2.11 116.55 108.67 1wpi n ASP 20 Ca 0.13 1.00 0.00 0.00 -1.51 0.00 0.00 54.79 54.41 1wpi n ASP 20 Cb 0.82 -3.81 0.00 0.00 2.34 0.00 0.00 41.12 40.46 1wpi n ASP 20 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1wpi n ILE 21 N -3.66 0.00 0.00 5.18 -0.00 -1.26 -2.09 119.36 117.53 1wpi n ILE 21 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.70 1wpi n ILE 21 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.07 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 -1.36 0.00 -0.83 -1.39 0.00 -1.26 -4.74 120.51 110.93 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 -4.53 0.00 7.64 -1.26 -3.56 113.62 111.91 1wpi n SER 23 Ca 0.00 0.50 -0.42 0.00 1.01 0.00 0.00 58.87 59.95 1wpi n SER 23 Cb 0.00 -0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.12 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 -2.76 6.31 0.22 6.43 -0.87 -1.26 -4.88 114.94 118.14 1wpi s ASN 24 Ca 0.00 -0.34 -0.09 0.00 -1.57 0.00 0.00 52.86 50.86 1wpi s ASN 24 Cb 0.00 -2.49 0.20 0.00 -0.02 0.00 0.00 41.25 38.94 1wpi s ASN 24 CO 0.00 -1.45 1.88 0.40 -2.57 0.00 0.00 177.10 175.36 1wpi h ILE 25 N 6.05 1.17 0.01 0.60 5.03 -1.95 2.44 117.51 130.85 1wpi h ILE 25 Ca -0.27 -0.35 -0.00 0.00 -0.12 0.00 0.00 64.86 64.12 1wpi h ILE 25 Cb 1.06 0.05 0.00 0.00 -3.03 0.00 0.00 36.82 34.90 1wpi h ILE 25 CO 1.17 0.19 -0.00 0.07 -0.68 0.00 0.00 178.15 178.89 1wpi h LYS 26 N 1.03 -0.01 0.02 2.37 -0.00 -1.92 -2.91 116.57 115.15 1wpi h LYS 26 Ca 0.30 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.95 1wpi h LYS 26 Cb -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.17 1wpi h LYS 26 CO -0.08 0.78 -0.01 0.66 -0.00 0.00 0.00 179.45 180.79 1wpi h SER 27 N -0.84 -0.03 -1.79 7.07 4.64 -1.91 -2.98 113.55 117.71 1wpi h SER 27 Ca -0.00 0.00 0.52 0.00 -0.47 0.00 0.00 61.79 61.84 1wpi h SER 27 Cb 0.80 0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 62.82 1wpi h SER 27 CO 0.00 -0.01 1.38 -0.61 -0.87 0.00 0.00 176.83 176.72 1wpi h GLN 28 N -0.04 0.00 0.00 4.77 5.75 0.40 1.11 115.11 127.09 1wpi h GLN 28 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1wpi h GLN 28 Cb 0.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.57 1wpi h GLN 28 CO 0.01 0.00 0.00 1.17 -2.65 0.00 0.00 178.83 177.36 1wpi n LYS 29 N -3.81 0.00 -0.06 1.69 3.00 -1.10 -3.27 118.16 114.60 1wpi n LYS 29 Ca 0.40 0.06 -0.22 0.00 -0.00 0.00 0.00 58.31 58.55 1wpi n LYS 29 Cb 1.92 -0.70 -0.12 0.00 0.00 0.00 0.00 35.03 36.12 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 -4.10 0.26 -0.10 0.00 7.99 0.38 0.32 117.00 121.74 1wpi n LEU 31 Ca -0.32 1.48 -0.13 0.00 -0.01 0.00 0.00 56.01 57.03 1wpi n LEU 31 Cb 0.81 -0.70 -0.04 0.00 -0.11 0.00 0.00 43.42 43.39 1wpi n LEU 31 CO 0.28 -1.63 0.62 0.06 -1.51 0.00 0.00 177.39 175.20 1wpi h GLN 32 N 0.00 0.70 0.49 3.23 -0.00 -1.36 0.09 115.11 118.26 1wpi h GLN 32 Ca 0.73 -0.34 -0.02 0.00 -0.00 0.00 0.00 58.65 59.02 1wpi h GLN 32 Cb 1.89 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.36 1wpi h GLN 32 CO -0.70 0.94 -0.26 1.25 -0.00 0.00 0.00 178.83 180.06 1wpi h LEU 33 N 0.45 -0.63 -1.08 0.06 6.46 0.50 -0.58 115.31 120.48 1wpi h LEU 33 Ca 0.06 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1wpi h LEU 33 Cb 0.77 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.88 1wpi h LEU 33 CO 0.06 -0.43 0.00 0.18 -0.62 0.00 0.00 178.44 177.63 1wpi n LEU 34 N -5.40 0.65 0.00 2.25 7.99 0.78 -1.91 117.00 121.36 1wpi n LEU 34 Ca -0.12 0.72 0.00 0.00 -0.01 0.00 0.00 56.01 56.60 1wpi n LEU 34 Cb 0.30 -0.70 0.00 0.00 -0.11 0.00 0.00 43.42 42.91 1wpi n LEU 34 CO 0.36 -0.76 0.46 1.17 -1.51 0.00 0.00 177.39 177.11 1wpi n LYS 35 N -2.28 0.00 -0.02 3.23 3.00 0.02 -1.52 118.16 120.59 1wpi n LYS 35 Ca 0.00 0.36 -0.04 0.00 -0.00 0.00 0.00 58.31 58.63 1wpi n LYS 35 Cb 0.14 -1.58 -0.03 0.00 0.00 0.00 0.00 35.03 33.56 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 -0.08 -1.70 3.14 0.00 -1.49 -3.49 103.07 99.46 1wpi h GLY 36 Ca 0.00 0.03 -0.48 0.00 0.00 0.00 0.00 47.33 46.87 1wpi h GLY 36 CO 0.00 -0.03 -0.54 -0.35 0.00 0.00 0.00 176.54 175.62 1wpi s ASP 37 N -5.60 2.13 -0.26 0.19 2.15 -0.58 -5.17 116.67 109.54 1wpi s ASP 37 Ca -0.05 -1.61 -0.30 0.00 0.43 0.00 0.00 52.55 51.02 1wpi s ASP 37 Cb -0.00 0.42 0.18 0.00 -0.30 0.00 0.00 42.92 43.21 1wpi s ASP 37 CO 0.19 -0.90 1.28 0.54 -0.17 0.00 0.00 175.17 176.10 1wpi s VAL 38 N -3.40 0.00 0.00 1.11 0.11 -1.26 -4.77 120.40 112.19 1wpi s VAL 38 Ca 0.31 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 1wpi s VAL 38 Cb 0.04 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 1wpi s VAL 38 CO 0.17 0.00 0.00 -1.20 -3.33 0.00 0.00 175.10 170.74 1wpi n SER 39 N 0.53 0.00 0.00 3.54 7.64 -1.26 -5.08 113.62 119.00 1wpi n SER 39 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1wpi n SER 39 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 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 -0.24 1.43 8.25 -1.26 -4.88 115.22 118.52 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 -2.13 0.64 0.00 0.00 176.34 174.85 1wpi n ARG 41 N 14.00 0.00 -2.59 -0.41 3.00 -1.26 -4.82 116.66 124.58 1wpi n ARG 41 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.62 1wpi n ARG 41 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 32.46 32.53 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 0.00 2.24 -0.22 -0.14 -0.71 -1.26 -5.07 117.98 112.82 1wpi s PHE 42 Ca 0.00 -0.12 -0.12 0.00 -1.04 0.00 0.00 56.93 55.66 1wpi s PHE 42 Cb 0.00 -2.89 -0.05 0.00 -1.21 0.00 0.00 43.02 38.87 1wpi s PHE 42 CO 0.00 -1.31 0.21 -0.51 -1.34 0.00 0.00 175.22 172.27 1wpi s ASP 43 N -4.58 6.21 0.06 1.98 1.11 -1.26 -4.96 116.67 115.23 1wpi s ASP 43 Ca 0.62 0.23 -0.19 0.00 0.18 0.00 0.00 52.55 53.39 1wpi s ASP 43 Cb -0.08 -2.13 -0.06 0.00 1.07 0.00 0.00 42.92 41.71 1wpi s ASP 43 CO 0.42 0.05 0.54 -0.69 1.18 0.00 0.00 175.17 176.67 1wpi s VAL 44 N 0.99 4.79 -0.39 -1.27 1.01 -1.26 -3.61 120.40 120.66 1wpi s VAL 44 Ca 0.10 1.15 -0.14 0.00 0.00 0.00 0.00 61.98 63.10 1wpi s VAL 44 Cb -0.13 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.39 1wpi s VAL 44 CO 0.04 0.56 0.27 -1.61 0.00 0.00 0.00 175.10 174.36 1wpi s GLU 45 N -1.08 3.07 -0.45 2.72 8.01 -0.91 -5.00 118.70 125.06 1wpi s GLU 45 Ca 0.28 -0.94 0.01 0.00 0.01 0.00 0.00 54.97 54.33 1wpi s GLU 45 Cb -0.19 -3.89 0.12 0.00 -4.31 0.00 0.00 34.13 25.87 1wpi s GLU 45 CO 0.18 -0.66 0.21 0.42 0.01 0.00 0.00 175.26 175.42 1wpi s ILE 46 N 1.67 2.86 -0.03 -1.63 1.09 -1.24 -1.93 121.20 121.98 1wpi s ILE 46 Ca 0.05 -2.64 -0.02 0.00 -1.10 0.00 0.00 60.65 56.94 1wpi s ILE 46 Cb -0.19 -2.99 0.01 0.00 -1.06 0.00 0.00 42.46 38.24 1wpi s ILE 46 CO 0.09 -0.72 0.08 0.00 -0.10 0.00 0.00 174.94 174.29 1wpi s ALA 47 N 0.48 -0.16 -0.32 9.38 0.00 -1.12 -4.95 121.76 125.08 1wpi s ALA 47 Ca 0.13 0.27 -0.15 0.00 0.00 0.00 0.00 51.96 52.21 1wpi s ALA 47 Cb -0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 1wpi s ALA 47 CO -0.04 -0.06 0.37 0.54 0.00 0.00 0.00 175.76 176.57 1wpi s ASN 48 N 0.30 6.21 -0.06 0.00 2.20 -1.26 0.28 114.94 122.60 1wpi s ASN 48 Ca -0.02 -0.02 -0.29 0.00 -0.94 0.00 0.00 52.86 51.58 1wpi s ASN 48 Cb -0.03 -2.20 0.10 0.00 -2.00 0.00 0.00 41.25 37.12 1wpi s ASN 48 CO -0.01 -0.29 0.88 -0.60 -2.94 0.00 0.00 177.10 174.14 1wpi s ARG 49 N 2.06 0.80 0.22 3.55 6.06 -1.22 -4.54 118.95 125.88 1wpi s ARG 49 Ca 0.13 -0.04 -0.30 0.00 -2.50 0.00 0.00 55.73 53.03 1wpi s ARG 49 Cb -0.16 0.37 -0.08 0.00 0.06 0.00 0.00 34.95 35.14 1wpi s ARG 49 CO 0.11 -0.30 1.15 0.12 -2.50 0.00 0.00 175.30 173.88 1wpi s PHE 50 N -2.04 3.50 -1.22 5.12 5.36 -1.25 -4.69 117.98 122.76 1wpi s PHE 50 Ca -0.01 1.55 -0.08 0.00 -0.96 0.00 0.00 56.93 57.44 1wpi s PHE 50 Cb -0.01 -3.36 -0.07 0.00 -0.34 0.00 0.00 43.02 39.25 1wpi s PHE 50 CO -0.02 -0.88 2.47 -0.35 -1.46 0.00 0.00 175.22 174.98 1wpi n PRO 51 N 2.03 2.76 -1.71 10.12 -0.04 -1.26 -4.89 135.00 142.01 1wpi n PRO 51 Ca 0.02 -1.78 -0.41 0.00 -0.04 0.00 0.00 63.50 61.30 1wpi n PRO 51 Cb 0.45 -2.61 0.02 0.00 -0.04 0.00 0.00 33.50 31.32 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 3.97 2.68 0.24 0.52 -2.24 -1.26 -4.81 114.28 113.38 1wpi n THR 52 Ca 0.59 -0.50 0.13 0.00 -2.27 0.00 0.00 64.05 61.99 1wpi n THR 52 Cb 0.18 -1.60 0.53 0.00 -2.10 0.00 0.00 70.33 67.33 1wpi n THR 52 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 1wpi h TRP 53 N 2.04 0.00 0.12 4.78 -0.00 -1.92 0.12 115.95 121.10 1wpi h TRP 53 Ca -0.48 0.00 0.02 0.00 -0.00 0.00 0.00 58.89 58.42 1wpi h TRP 53 Cb 1.29 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 30.41 1wpi h TRP 53 CO 0.48 0.14 -0.49 0.22 -0.00 0.00 0.00 178.44 178.79 1wpi h ASP 54 N 0.00 -1.47 0.28 -3.49 1.82 -1.98 4.32 116.42 115.90 1wpi h ASP 54 Ca -0.00 0.16 -0.34 0.00 -0.39 0.00 0.00 57.03 56.46 1wpi h ASP 54 Cb 0.67 0.55 0.01 0.00 0.68 0.00 0.00 39.33 41.24 1wpi h ASP 54 CO 0.02 -0.54 -1.65 -0.61 -1.61 0.00 0.00 179.24 174.85 1wpi h GLN 55 N -0.72 0.37 0.00 0.28 4.15 -1.94 -3.26 115.11 114.00 1wpi h GLN 55 Ca 0.01 -0.64 0.00 0.00 0.77 0.00 0.00 58.65 58.79 1wpi h GLN 55 Cb 0.74 0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.66 1wpi h GLN 55 CO -0.28 1.28 0.00 -0.07 -1.93 0.00 0.00 178.83 177.83 1wpi h LEU 56 N 0.10 0.00 -1.53 -2.39 -0.00 -0.66 -3.06 115.31 107.78 1wpi h LEU 56 Ca -0.30 0.00 0.42 0.00 -0.00 0.00 0.00 57.88 58.00 1wpi h LEU 56 Cb 2.09 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 42.69 1wpi h LEU 56 CO 0.19 0.00 1.29 -0.61 -0.00 0.00 0.00 178.44 179.31 1wpi h GLN 57 N 0.00 0.00 0.33 1.13 -0.00 0.84 0.99 115.11 118.40 1wpi h GLN 57 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 1wpi h GLN 57 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.90 1wpi h GLN 57 CO 0.00 0.00 -0.16 1.88 0.00 0.00 0.00 178.83 180.55 1wpi h TYR 58 N 0.00 -0.42 0.01 3.99 0.05 -1.76 -2.97 116.97 115.88 1wpi h TYR 58 Ca 0.69 -0.01 -0.22 0.00 0.05 0.00 0.00 58.73 59.24 1wpi h TYR 58 Cb 3.26 0.14 -0.00 0.00 1.01 0.00 0.00 36.73 41.13 1wpi h TYR 58 CO 0.00 -0.08 -0.94 0.52 -1.05 0.00 0.00 178.16 176.61 1wpi h MET 59 N -0.82 0.31 -0.38 4.88 2.86 0.23 -3.03 114.93 118.98 1wpi h MET 59 Ca -0.05 -0.35 0.11 0.00 -2.06 0.00 0.00 59.70 57.35 1wpi h MET 59 Cb 0.52 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1wpi h MET 59 CO 0.08 1.06 0.39 0.07 1.06 0.00 0.00 176.91 179.56 1wpi h ARG 60 N 0.17 0.00 0.09 1.72 0.11 0.53 0.33 114.38 117.32 1wpi h ARG 60 Ca -0.07 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.75 1wpi h ARG 60 Cb 1.59 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.66 1wpi h ARG 60 CO 0.15 0.00 -1.32 1.79 0.10 0.00 0.00 179.97 180.69 1wpi h THR 61 N 0.00 1.05 -0.85 0.08 1.35 -1.45 -3.35 112.91 109.73 1wpi h THR 61 Ca 0.18 -2.36 0.03 0.00 -0.55 0.00 0.00 66.41 63.71 1wpi h THR 61 Cb 0.97 2.68 -0.05 0.00 -1.73 0.00 0.00 68.15 70.02 1wpi h THR 61 CO -0.00 0.65 0.56 0.28 -0.25 0.00 0.00 175.52 176.76 1wpi h SER 62 N -0.43 0.94 -4.35 5.36 0.02 -0.98 -3.41 113.55 110.69 1wpi h SER 62 Ca -0.30 -0.02 -0.59 0.00 -0.84 0.00 0.00 61.79 60.05 1wpi h SER 62 Cb 1.66 -0.22 -0.28 0.00 0.14 0.00 0.00 62.40 63.70 1wpi h SER 62 CO 0.02 0.66 -0.85 0.00 -1.14 0.00 0.00 176.83 175.52 1wpi h PRO 64 N 5.26 0.00 -0.45 0.00 0.13 -1.81 -2.86 132.00 132.27 1wpi h PRO 64 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1wpi h PRO 64 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1wpi h PRO 64 CO 0.46 0.57 0.00 1.04 -0.23 0.00 0.00 178.00 179.84 1wpi n GLN 65 N -3.51 1.20 0.00 0.86 6.02 -1.26 -4.63 117.38 116.06 1wpi n GLN 65 Ca -0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 57.00 56.77 1wpi n GLN 65 Cb 0.65 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.65 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 0.35 0.00 0.12 1.08 0.00 -1.08 0.25 105.19 105.92 1wpi n GLY 66 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 0.05 -0.97 1.61 0.13 -1.89 -3.17 132.00 127.75 1wpi h PRO 67 Ca 0.00 -0.05 0.29 0.00 -0.87 0.00 0.00 66.00 65.37 1wpi h PRO 67 Cb 0.00 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.00 1wpi h PRO 67 CO 0.00 0.78 0.50 -0.39 -0.23 0.00 0.00 178.00 178.67 1wpi h VAL 68 N 0.03 0.36 0.03 1.56 -1.51 -1.75 3.73 116.25 118.71 1wpi h VAL 68 Ca -0.01 -0.12 -0.22 0.00 -1.23 0.00 0.00 66.70 65.11 1wpi h VAL 68 Cb 1.34 -0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 30.45 1wpi h VAL 68 CO 0.10 0.07 -0.99 -1.28 -1.23 0.00 0.00 177.57 174.24 1wpi h SER 69 N 0.36 0.28 0.21 4.19 0.87 -0.18 -1.98 113.55 117.30 1wpi h SER 69 Ca 0.67 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.97 1wpi h SER 69 Cb 1.45 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1wpi h SER 69 CO -0.59 1.11 -0.10 -0.07 -0.53 0.00 0.00 176.83 176.65 1wpi h LEU 70 N 0.09 -0.24 -1.84 2.23 3.38 0.12 -1.58 115.31 117.48 1wpi h LEU 70 Ca -0.06 -0.08 0.16 0.00 0.09 0.00 0.00 57.88 57.98 1wpi h LEU 70 Cb 1.66 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.44 1wpi h LEU 70 CO 0.15 0.26 0.44 1.56 0.09 0.00 0.00 178.44 180.94 1wpi h GLN 71 N -1.05 0.15 0.00 1.13 4.20 0.63 0.77 115.11 120.94 1wpi h GLN 71 Ca -0.03 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1wpi h GLN 71 Cb 0.31 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1wpi h GLN 71 CO 0.05 0.10 0.00 0.00 -0.67 0.00 0.00 178.83 178.31 1wpi h ARG 72 N 0.16 0.00 -0.61 1.46 2.47 -1.40 -3.21 114.38 113.24 1wpi h ARG 72 Ca 0.31 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.95 1wpi h ARG 72 Cb 0.99 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.28 1wpi h ARG 72 CO -0.05 0.00 0.08 0.37 0.56 0.00 0.00 179.97 180.94 1wpi h GLN 73 N 0.00 1.01 -6.66 0.04 5.75 0.16 -3.43 115.11 111.99 1wpi h GLN 73 Ca 0.00 -0.27 -0.50 0.00 -0.15 0.00 0.00 58.65 57.73 1wpi h GLN 73 Cb 0.96 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.37 1wpi h GLN 73 CO 0.00 0.94 0.28 0.42 -2.65 0.00 0.00 178.83 177.82 1wpi s ILE 74 N -5.15 4.20 -0.05 2.39 -1.09 -1.13 -4.84 121.20 115.53 1wpi s ILE 74 Ca -0.11 1.92 -0.05 0.00 -2.23 0.00 0.00 60.65 60.19 1wpi s ILE 74 Cb 0.15 -4.24 -0.20 0.00 -1.58 0.00 0.00 42.46 36.58 1wpi s ILE 74 CO 0.84 0.50 2.83 -0.81 -1.23 0.00 0.00 174.94 177.07 1wpi n PRO 75 N 1.51 1.55 -0.78 2.79 -0.04 -1.26 -2.54 135.00 136.23 1wpi n PRO 75 Ca -0.03 -0.79 -0.04 0.00 -0.04 0.00 0.00 63.50 62.59 1wpi n PRO 75 Cb 0.48 -1.90 -0.04 0.00 -0.04 0.00 0.00 33.50 31.99 1wpi n PRO 75 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wpi n LYS 76 N 2.68 0.00 -0.16 0.54 4.76 -1.26 -4.93 118.16 119.79 1wpi n LYS 76 Ca 0.33 -0.60 -0.09 0.00 -2.87 0.00 0.00 58.31 55.08 1wpi n LYS 76 Cb 0.67 0.43 -0.07 0.00 -1.84 0.00 0.00 35.03 34.22 1wpi n LYS 76 CO 0.00 0.00 0.00 1.37 -1.37 0.00 0.00 177.40 177.40 1wpi h LEU 77 N 0.00 -1.31 -1.45 -0.35 -0.00 -1.55 1.78 115.31 112.44 1wpi h LEU 77 Ca -0.34 0.18 0.41 0.00 -0.00 0.00 0.00 57.88 58.13 1wpi h LEU 77 Cb 1.08 0.55 -0.06 0.00 -0.00 0.00 0.00 40.66 42.24 1wpi h LEU 77 CO -0.17 -0.23 1.30 -0.78 -0.00 0.00 0.00 178.44 178.56 1wpi h ASP 78 N -0.17 0.00 0.00 0.17 3.58 -1.91 8.85 116.42 126.95 1wpi h ASP 78 Ca 0.07 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1wpi h ASP 78 Cb 0.35 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.40 1wpi h ASP 78 CO -0.48 0.00 -0.45 0.28 -2.88 0.00 0.00 179.24 175.72 1wpi h SER 79 N 0.00 0.00 0.06 2.28 0.02 0.19 -3.34 113.55 112.76 1wpi h SER 79 Ca 0.68 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 61.49 1wpi h SER 79 Cb 3.28 0.00 0.01 0.00 0.14 0.00 0.00 62.40 65.83 1wpi h SER 79 CO -0.01 0.75 -0.42 1.62 -1.14 0.00 0.00 176.83 177.63 1wpi h VAL 80 N -1.00 1.62 0.00 2.27 3.04 0.43 1.96 116.25 124.57 1wpi h VAL 80 Ca -0.02 -2.35 0.00 0.00 -1.01 0.00 0.00 66.70 63.32 1wpi h VAL 80 Cb 0.46 3.17 0.00 0.00 -2.01 0.00 0.00 31.29 32.91 1wpi h VAL 80 CO -0.01 0.64 0.32 -0.11 -1.01 0.00 0.00 177.57 177.40 1wpi n LEU 81 N -4.37 0.24 0.00 3.16 7.94 2.78 -3.97 117.00 122.79 1wpi n LEU 81 Ca -0.12 0.47 0.00 0.00 -1.11 0.00 0.00 56.01 55.26 1wpi n LEU 81 Cb 0.64 -0.41 0.00 0.00 0.53 0.00 0.00 43.42 44.17 1wpi n LEU 81 CO 0.42 -0.56 0.00 0.29 -1.11 0.00 0.00 177.39 176.43 1wpi n LYS 82 N -1.87 0.00 0.00 1.96 5.02 -1.04 -4.92 118.16 117.31 1wpi n LYS 82 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1wpi n LYS 82 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 1wpi n LYS 82 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1wpi n TYR 83 N 0.00 0.00 0.00 2.13 9.36 -0.89 -4.90 117.16 122.85 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 1.35 -0.22 2.98 0.00 0.66 -2.80 118.16 120.13 1wpi n LYS 84 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 58.31 58.50 1wpi n LYS 84 Cb 0.08 0.00 0.30 0.00 0.00 0.00 0.00 35.03 35.41 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 0.00 -0.29 5.64 8.25 -1.21 0.27 115.22 127.87 1wpi n HIS 85 Ca 0.00 0.00 0.34 0.00 -0.26 0.00 0.00 57.72 57.80 1wpi n HIS 85 Cb 0.00 -0.18 0.75 0.00 1.12 0.00 0.00 29.99 31.68 1wpi n HIS 85 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1wpi h THR 86 N 0.00 0.42 0.00 1.59 2.02 -1.67 -3.14 112.91 112.13 1wpi h THR 86 Ca 0.34 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.52 1wpi h THR 86 Cb 1.63 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1wpi h THR 86 CO -0.00 0.00 0.00 -0.67 0.37 0.00 0.00 175.52 175.22 1wpi n ASP 87 N -4.17 0.00 -0.67 4.18 2.03 0.75 -3.78 116.55 114.89 1wpi n ASP 87 Ca 0.24 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1wpi n ASP 87 Cb 1.20 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.60 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 -0.03 -0.67 -0.04 -1.26 -2.75 135.00 131.00 1wpi n PRO 88 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 1wpi n PRO 88 Cb 0.00 -1.29 -0.13 0.00 -0.04 0.00 0.00 33.50 32.04 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 0.09 0.86 0.00 0.52 1.03 -1.76 -3.41 112.91 110.23 1wpi h THR 89 Ca 0.00 -2.31 -0.07 0.00 -0.01 0.00 0.00 66.41 64.02 1wpi h THR 89 Cb 0.50 2.49 -0.01 0.00 -1.07 0.00 0.00 68.15 70.05 1wpi h THR 89 CO 0.00 0.64 -1.59 0.49 -0.01 0.00 0.00 175.52 175.05 1wpi n PHE 90 N -3.95 0.00 0.00 0.00 3.01 -1.19 -4.19 117.46 111.15 1wpi n PHE 90 Ca -0.30 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.16 1wpi n PHE 90 Cb 0.88 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 1wpi n PHE 90 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wpi n GLY 91 N 2.05 0.00 0.00 1.37 0.00 -1.11 -1.80 105.19 105.70 1wpi n GLY 91 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.75 1.61 -0.00 -1.26 -3.56 117.12 110.17 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 -0.12 0.00 -0.00 0.00 0.00 33.22 33.10 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 5.31 0.55 3.17 1.11 -1.26 -3.90 116.67 121.65 1wpi s ASP 93 Ca 0.00 -1.45 0.36 0.00 0.18 0.00 0.00 52.55 51.64 1wpi s ASP 93 Cb 0.00 -1.86 1.70 0.00 1.07 0.00 0.00 42.92 43.83 1wpi s ASP 93 CO 0.00 -0.41 2.08 0.17 1.18 0.00 0.00 175.17 178.18 1wpi h LEU 94 N 8.19 0.00 -1.53 1.23 -0.00 -1.40 -1.67 115.31 120.13 1wpi h LEU 94 Ca -0.21 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.63 1wpi h LEU 94 Cb 1.07 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.72 1wpi h LEU 94 CO 0.65 0.00 -0.17 -0.61 -0.00 0.00 0.00 178.44 178.31 1wpi h GLN 95 N 0.00 0.08 0.00 0.17 -0.00 -1.86 0.53 115.11 114.03 1wpi h GLN 95 Ca 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 1wpi h GLN 95 Cb 0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.76 1wpi h GLN 95 CO 0.00 0.26 -0.03 0.87 0.00 0.00 0.00 178.83 179.93 1wpi h LYS 96 N 0.08 0.00 0.01 1.69 1.79 -1.61 3.13 116.57 121.66 1wpi h LYS 96 Ca 0.02 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.09 1wpi h LYS 96 Cb 0.36 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.95 1wpi h LYS 96 CO 0.02 0.03 -2.20 0.00 -1.08 0.00 0.00 179.45 176.22 1wpi h VAL 98 N -0.78 0.35 -1.43 0.00 -1.51 0.08 -1.31 116.25 111.66 1wpi h VAL 98 Ca -0.59 -1.03 0.41 0.00 -1.23 0.00 0.00 66.70 64.27 1wpi h VAL 98 Cb 1.62 1.78 -0.06 0.00 -2.13 0.00 0.00 31.29 32.50 1wpi h VAL 98 CO -0.29 0.15 1.18 0.00 -1.23 0.00 0.00 177.57 177.38 1wpi n GLN 99 N -3.26 0.00 0.00 5.19 -0.00 1.04 -4.06 117.38 116.30 1wpi n GLN 99 Ca 0.01 0.92 0.00 0.00 -0.00 0.00 0.00 57.00 57.93 1wpi n GLN 99 Cb 0.43 -2.19 0.00 0.00 -0.00 0.00 0.00 30.24 28.49 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 -1.20 -5.05 116.66 109.60 1wpi n ARG 100 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.17 1wpi n ARG 100 Cb 1.61 0.00 0.00 0.00 0.00 0.00 0.00 32.46 34.07 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 3.46 7.00 5.14 0.00 -0.50 -5.10 105.19 115.19 1wpi n GLY 101 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.70 0.99 7.94 -1.26 -4.42 117.00 115.55 1wpi n LEU 102 Ca 0.00 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.66 1wpi n LEU 102 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 1wpi n LEU 102 CO 0.00 0.00 -0.28 0.26 -1.11 0.00 0.00 177.39 176.26 1wpi s TRP 103 N 0.00 2.86 -0.53 1.96 0.52 -1.26 -5.05 118.94 117.44 1wpi s TRP 103 Ca 0.00 -0.16 -0.28 0.00 0.02 0.00 0.00 56.10 55.68 1wpi s TRP 103 Cb 0.00 -1.32 0.00 0.00 -1.15 0.00 0.00 33.47 31.01 1wpi s TRP 103 CO 0.00 0.56 1.55 -0.80 0.02 0.00 0.00 176.95 178.28 1wpi s ASN 104 N -3.46 5.95 0.37 2.95 0.01 -1.26 -4.83 114.94 114.68 1wpi s ASN 104 Ca 0.30 0.48 0.20 0.00 -0.71 0.00 0.00 52.86 53.13 1wpi s ASN 104 Cb -0.08 -2.54 0.56 0.00 0.41 0.00 0.00 41.25 39.60 1wpi s ASN 104 CO 0.21 -1.81 1.67 1.55 -1.51 0.00 0.00 177.10 177.20 1wpi h PRO 105 N 12.01 0.00 -1.98 -0.60 0.13 -1.84 -3.42 132.00 136.31 1wpi h PRO 105 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1wpi h PRO 105 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1wpi h PRO 105 CO 1.16 0.33 0.00 0.36 -0.23 0.00 0.00 178.00 179.62 1wpi n LYS 106 N -3.34 -0.30 -4.02 0.86 0.00 -0.89 -4.70 118.16 105.77 1wpi n LYS 106 Ca 0.01 -0.12 -0.09 0.00 -0.00 0.00 0.00 58.31 58.11 1wpi n LYS 106 Cb 0.55 0.21 -0.11 0.00 -0.00 0.00 0.00 35.03 35.69 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 -1.30 0.41 -0.14 -1.58 0.41 -1.15 -4.93 118.70 110.42 1wpi s GLU 107 Ca 0.00 -0.78 -0.01 0.00 -0.41 0.00 0.00 54.97 53.77 1wpi s GLU 107 Cb 0.00 0.09 -0.01 0.00 -1.78 0.00 0.00 34.13 32.43 1wpi s GLU 107 CO 0.00 -0.05 -0.12 0.00 -0.49 0.00 0.00 175.26 174.60 1wpi s ALA 108 N -2.08 2.65 -0.21 5.21 0.00 -1.26 -2.72 121.76 123.35 1wpi s ALA 108 Ca -0.09 -0.92 -0.16 0.00 0.00 0.00 0.00 51.96 50.78 1wpi s ALA 108 Cb -0.05 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 1wpi s ALA 108 CO -0.03 0.17 0.43 -0.51 0.00 0.00 0.00 175.76 175.82 1wpi s LEU 109 N 0.48 4.13 -0.18 0.00 2.01 -0.89 0.12 118.68 124.36 1wpi s LEU 109 Ca -0.09 0.53 -0.07 0.00 0.01 0.00 0.00 54.13 54.51 1wpi s LEU 109 Cb -0.16 -2.56 -0.04 0.00 0.01 0.00 0.00 46.19 43.45 1wpi s LEU 109 CO 0.04 -0.12 0.06 0.86 1.01 0.00 0.00 176.35 178.20 1wpi s TRP 110 N 1.53 3.25 -0.26 0.29 -0.00 -1.00 0.11 118.94 122.84 1wpi s TRP 110 Ca 0.20 0.06 -0.17 0.00 -0.00 0.00 0.00 56.10 56.20 1wpi s TRP 110 Cb -0.15 -2.08 0.08 0.00 -0.00 0.00 0.00 33.47 31.32 1wpi s TRP 110 CO 0.09 0.15 0.66 0.08 -0.00 0.00 0.00 176.95 177.92 1wpi s VAL 111 N 0.37 -0.00 0.09 5.86 1.01 0.19 -0.41 120.40 127.51 1wpi s VAL 111 Ca 0.03 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.10 1wpi s VAL 111 Cb -0.12 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1wpi s VAL 111 CO 0.00 0.00 -0.21 -0.62 0.00 0.00 0.00 175.10 174.27 1wpi s ASP 112 N 1.39 2.58 0.00 3.32 2.15 0.51 0.25 116.67 126.87 1wpi s ASP 112 Ca -0.08 -0.65 0.00 0.00 0.43 0.00 0.00 52.55 52.25 1wpi s ASP 112 Cb -0.05 -0.16 0.00 0.00 -0.30 0.00 0.00 42.92 42.40 1wpi s ASP 112 CO -0.16 0.09 0.56 1.87 -0.17 0.00 0.00 175.17 177.37 1wpi n TRP 113 N 1.27 0.00 -0.05 -5.34 -0.00 -1.25 -2.70 117.44 109.36 1wpi n TRP 113 Ca -0.19 -0.14 -0.22 0.00 -0.00 0.00 0.00 57.50 56.95 1wpi n TRP 113 Cb 0.53 -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 -1.91 -0.00 0.00 0.00 177.69 175.78 1wpi n GLU 114 N -0.14 0.66 -0.05 5.87 0.00 -1.25 -4.38 120.64 121.35 1wpi n GLU 114 Ca 0.00 0.42 0.04 0.00 0.00 0.00 0.00 57.16 57.63 1wpi n GLU 114 Cb 0.34 -1.72 0.07 0.00 0.00 0.00 0.00 31.44 30.13 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 -3.98 2.09 -2.38 4.31 5.03 -1.26 -4.81 115.26 114.26 1wpi n ASN 115 Ca -0.33 -1.59 -0.05 0.00 0.87 0.00 0.00 54.58 53.48 1wpi n ASN 115 Cb 0.86 -0.07 0.02 0.00 -1.02 0.00 0.00 39.78 39.58 1wpi n ASN 115 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1wpi n LYS 116 N 0.43 -1.02 -4.20 3.52 4.81 -1.26 -5.02 118.16 115.42 1wpi n LYS 116 Ca 0.07 0.64 -0.15 0.00 -0.87 0.00 0.00 58.31 58.00 1wpi n LYS 116 Cb 0.28 -3.76 -0.11 0.00 0.02 0.00 0.00 35.03 31.46 1wpi n LYS 116 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1wpi s LEU 117 N -3.86 2.42 0.20 3.14 0.20 -1.10 -5.00 118.68 114.68 1wpi s LEU 117 Ca 0.16 -0.83 -0.16 0.00 0.69 0.00 0.00 54.13 54.00 1wpi s LEU 117 Cb -0.02 -0.37 0.02 0.00 -0.43 0.00 0.00 46.19 45.39 1wpi s LEU 117 CO 0.39 -0.24 0.49 0.68 -0.29 0.00 0.00 176.35 177.38 1wpi s VAL 118 N -2.44 0.03 -2.20 1.68 -7.23 -1.26 0.19 120.40 109.17 1wpi s VAL 118 Ca 0.07 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 1wpi s VAL 118 Cb -0.03 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 35.18 1wpi s VAL 118 CO 0.01 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 1wpi n GLY 119 N -0.33 -0.82 3.35 2.32 0.00 0.46 -4.90 105.19 105.27 1wpi n GLY 119 Ca -0.08 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 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 -4.00 0.06 0.00 1.61 4.22 -1.26 -2.38 114.94 113.20 1wpi s ASN 120 Ca 0.00 -1.07 0.00 0.00 -2.14 0.00 0.00 52.86 49.65 1wpi s ASN 120 Cb 0.00 0.45 0.00 0.00 1.28 0.00 0.00 41.25 42.98 1wpi s ASN 120 CO 0.00 -0.93 0.00 1.21 -2.04 0.00 0.00 177.10 175.34 1wpi n GLU 121 N -0.26 0.00 0.06 3.55 2.13 0.33 -4.29 120.64 122.16 1wpi n GLU 121 Ca -0.03 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.67 1wpi n GLU 121 Cb 0.64 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.33 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 0.39 0.00 5.31 0.13 -1.94 -2.99 132.00 132.90 1wpi h PRO 122 Ca 0.00 -0.38 -0.02 0.00 -0.87 0.00 0.00 66.00 64.73 1wpi h PRO 122 Cb 0.00 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.22 1wpi h PRO 122 CO 0.00 1.04 -0.12 0.00 -0.23 0.00 0.00 178.00 178.70 1wpi h ALA 123 N 0.83 1.28 -1.01 -0.56 0.00 -1.93 -2.05 119.26 115.82 1wpi h ALA 123 Ca -0.06 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.86 1wpi h ALA 123 Cb 1.47 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.16 1wpi h ALA 123 CO 0.15 0.14 0.64 0.22 0.00 0.00 0.00 179.25 180.40 1wpi h ASP 124 N 0.00 0.95 -0.38 0.00 1.82 -1.71 -1.16 116.42 115.94 1wpi h ASP 124 Ca -0.00 0.04 0.08 0.00 -0.39 0.00 0.00 57.03 56.76 1wpi h ASP 124 Cb 0.34 -0.15 -0.09 0.00 0.68 0.00 0.00 39.33 40.11 1wpi h ASP 124 CO 0.02 0.52 -0.24 0.40 -1.61 0.00 0.00 179.24 178.33 1wpi h ILE 125 N 1.03 0.36 -0.41 2.25 2.04 -1.51 0.60 117.51 121.86 1wpi h ILE 125 Ca 0.49 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.43 1wpi h ILE 125 Cb 0.44 0.36 -0.08 0.00 -0.74 0.00 0.00 36.82 36.79 1wpi h ILE 125 CO -0.25 0.00 -0.16 -0.78 0.00 0.00 0.00 178.15 176.96 1wpi h ASP 126 N -0.18 -0.55 0.69 1.72 3.58 -1.36 3.21 116.42 123.53 1wpi h ASP 126 Ca 0.18 0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.75 1wpi h ASP 126 Cb 0.47 0.32 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 1wpi h ASP 126 CO -0.48 -0.19 -0.48 0.11 -2.88 0.00 0.00 179.24 175.31 1wpi h LYS 127 N -0.07 -1.08 0.00 0.28 6.56 -0.73 -3.08 116.57 118.45 1wpi h LYS 127 Ca 0.20 0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.86 1wpi h LYS 127 Cb 0.38 0.25 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 1wpi h LYS 127 CO -0.46 -0.72 0.00 0.66 -2.06 0.00 0.00 179.45 176.87 1wpi n TYR 128 N -5.60 0.00 -3.24 -1.35 4.01 0.19 -4.66 117.16 106.51 1wpi n TYR 128 Ca -0.14 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.41 1wpi n TYR 128 Cb 0.48 -0.26 -0.07 0.00 -0.31 0.00 0.00 39.34 39.18 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 -1.57 -0.16 0.78 -0.72 -5.25 0.98 -4.14 121.20 111.12 1wpi s ILE 129 Ca 0.00 -1.77 -0.20 0.00 -0.99 0.00 0.00 60.65 57.69 1wpi s ILE 129 Cb 0.00 -0.80 -0.15 0.00 2.95 0.00 0.00 42.46 44.46 1wpi s ILE 129 CO 0.00 -0.77 -1.12 0.00 -1.79 0.00 0.00 174.94 171.27 1wpi n ILE 130 N 3.31 0.00 0.31 8.37 0.00 0.36 -4.38 119.36 127.34 1wpi n ILE 130 Ca 0.21 -0.07 0.02 0.00 0.00 0.00 0.00 62.75 62.90 1wpi n ILE 130 Cb 0.48 0.00 0.08 0.00 0.00 0.00 0.00 39.64 40.20 1wpi n ILE 130 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 176.55 176.61 1wpi h GLN 131 N -0.78 0.00 -2.09 9.51 -0.00 -1.90 -2.74 115.11 117.10 1wpi h GLN 131 Ca -0.31 0.00 -0.41 0.00 -0.00 0.00 0.00 58.65 57.92 1wpi h GLN 131 Cb 1.08 0.00 -0.33 0.00 -0.00 0.00 0.00 27.48 28.23 1wpi h GLN 131 CO 0.17 0.00 -0.72 0.50 -0.00 0.00 0.00 178.83 178.78 1wpi s ARG 132 N -3.90 0.61 0.00 0.06 3.00 -1.26 -4.75 118.95 112.72 1wpi s ARG 132 Ca -0.00 -0.96 0.00 0.00 -1.00 0.00 0.00 55.73 53.77 1wpi s ARG 132 Cb 0.01 -0.85 0.00 0.00 0.00 0.00 0.00 34.95 34.11 1wpi s ARG 132 CO 0.03 -1.20 0.14 0.36 0.00 0.00 0.00 175.30 174.63