#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 -0.41 -4.17 6.12 2.88 -1.26 -5.10 113.62 111.69 1wpi n SER 2 Ca 0.00 -2.64 -0.59 0.00 -1.33 0.00 0.00 58.87 54.31 1wpi n SER 2 Cb 0.00 -0.34 -0.10 0.00 -0.75 0.00 0.00 64.21 63.02 1wpi n SER 2 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1wpi n PHE 3 N 1.95 1.37 0.08 0.66 1.16 -1.26 -4.79 117.46 116.64 1wpi n PHE 3 Ca 0.23 0.90 -0.11 0.00 -1.87 0.00 0.00 57.45 56.60 1wpi n PHE 3 Cb 0.52 -2.08 -0.05 0.00 -1.61 0.00 0.00 39.48 36.27 1wpi n PHE 3 CO 0.00 0.00 0.00 -1.49 -1.87 0.00 0.00 176.76 173.40 1wpi h TRP 4 N 6.24 0.38 0.00 2.97 6.55 -2.03 -3.00 115.95 127.06 1wpi h TRP 4 Ca -0.27 -0.22 -0.07 0.00 0.95 0.00 0.00 58.89 59.28 1wpi h TRP 4 Cb 1.28 -0.03 -0.01 0.00 -0.86 0.00 0.00 29.16 29.54 1wpi h TRP 4 CO 0.73 1.07 -0.34 0.87 -1.05 0.00 0.00 178.44 179.73 1wpi h LYS 5 N 0.12 0.00 -5.72 0.49 1.79 -1.97 -3.48 116.57 107.80 1wpi h LYS 5 Ca -0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1wpi h LYS 5 Cb 1.63 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 32.25 1wpi h LYS 5 CO 0.15 0.34 -0.47 0.25 -1.08 0.00 0.00 179.45 178.65 1wpi n THR 6 N -3.50 -4.50 0.00 -0.16 -2.24 -1.14 -4.95 114.28 97.79 1wpi n THR 6 Ca -0.00 0.84 0.00 0.00 -2.27 0.00 0.00 64.05 62.62 1wpi n THR 6 Cb 0.49 -3.65 0.00 0.00 -2.10 0.00 0.00 70.33 65.08 1wpi n THR 6 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1wpi n LEU 7 N 2.28 0.00 -4.17 3.22 -0.00 -1.26 -4.93 117.00 112.14 1wpi n LEU 7 Ca -0.12 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.54 1wpi n LEU 7 Cb 0.19 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 43.70 1wpi n LEU 7 CO 0.11 0.00 -1.06 1.67 -0.00 0.00 0.00 177.39 178.12 1wpi n GLN 8 N 0.00 -0.49 -2.23 1.96 7.27 -1.26 -3.85 117.38 118.77 1wpi n GLN 8 Ca 0.00 -0.13 -0.07 0.00 0.07 0.00 0.00 57.00 56.87 1wpi n GLN 8 Cb 0.00 -1.38 0.01 0.00 2.41 0.00 0.00 30.24 31.28 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 0.33 -0.44 -2.71 3.69 1.74 -1.26 -4.82 116.66 113.18 1wpi n ARG 9 Ca 0.01 0.57 -0.41 0.00 -0.77 0.00 0.00 57.85 57.25 1wpi n ARG 9 Cb 0.62 -0.76 -0.04 0.00 -1.02 0.00 0.00 32.46 31.26 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 -0.85 4.69 0.00 5.56 -2.07 -1.25 -4.90 119.66 120.84 1wpi s GLN 10 Ca 0.07 1.47 0.00 0.00 -1.82 0.00 0.00 55.36 55.08 1wpi s GLN 10 Cb -0.01 -3.37 0.00 0.00 -1.09 0.00 0.00 33.01 28.55 1wpi s GLN 10 CO 0.15 0.21 0.00 -0.35 -1.32 0.00 0.00 175.29 173.98 1wpi n PRO 11 N 2.74 0.89 0.08 9.60 -0.04 -1.26 -4.90 135.00 142.12 1wpi n PRO 11 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1wpi n PRO 11 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 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 -0.09 0.00 -3.23 0.54 0.63 -1.26 -4.98 116.66 108.27 1wpi n ARG 12 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 1wpi n ARG 12 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 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 -2.00 4.99 -0.37 5.15 2.01 -1.26 -4.39 115.64 119.77 1wpi s THR 13 Ca 0.00 0.13 -0.13 0.00 0.31 0.00 0.00 61.69 62.00 1wpi s THR 13 Cb 0.00 -4.04 0.00 0.00 0.01 0.00 0.00 72.50 68.48 1wpi s THR 13 CO 0.00 -0.35 0.25 -0.63 -0.69 0.00 0.00 174.62 173.20 1wpi s ILE 14 N 2.44 5.14 -0.54 1.82 -1.09 -1.25 -3.84 121.20 123.87 1wpi s ILE 14 Ca 0.18 -0.47 -0.17 0.00 -2.23 0.00 0.00 60.65 57.96 1wpi s ILE 14 Cb -0.15 -3.74 0.12 0.00 -1.58 0.00 0.00 42.46 37.10 1wpi s ILE 14 CO 0.15 -0.14 0.54 -0.55 -1.23 0.00 0.00 174.94 173.71 1wpi s SER 15 N 1.68 6.19 -0.15 3.58 0.15 0.40 0.18 113.70 125.73 1wpi s SER 15 Ca 0.05 -1.65 -0.06 0.00 0.70 0.00 0.00 55.95 55.00 1wpi s SER 15 Cb -0.18 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 61.86 1wpi s SER 15 CO 0.10 -0.90 0.06 -0.76 1.20 0.00 0.00 173.24 172.94 1wpi s LEU 16 N 1.87 3.86 0.15 3.45 2.01 0.17 0.20 118.68 130.39 1wpi s LEU 16 Ca 0.05 0.17 0.04 0.00 0.01 0.00 0.00 54.13 54.40 1wpi s LEU 16 Cb -0.28 -1.95 -0.04 0.00 0.01 0.00 0.00 46.19 43.94 1wpi s LEU 16 CO 0.04 0.27 0.17 -0.36 1.01 0.00 0.00 176.35 177.48 1wpi s PHE 17 N -0.22 3.25 -0.01 0.29 0.08 0.94 -1.86 117.98 120.45 1wpi s PHE 17 Ca 0.08 0.04 -0.08 0.00 0.12 0.00 0.00 56.93 57.09 1wpi s PHE 17 Cb -0.12 -1.57 -0.05 0.00 -0.57 0.00 0.00 43.02 40.71 1wpi s PHE 17 CO 0.01 0.52 0.27 0.99 -0.10 0.00 0.00 175.22 176.91 1wpi s THR 18 N -1.70 5.30 -0.27 0.64 2.01 0.16 -2.94 115.64 118.83 1wpi s THR 18 Ca 0.32 0.27 0.18 0.00 0.31 0.00 0.00 61.69 62.76 1wpi s THR 18 Cb -0.11 -3.56 0.44 0.00 0.01 0.00 0.00 72.50 69.29 1wpi s THR 18 CO 0.25 0.43 1.30 0.59 -0.69 0.00 0.00 174.62 176.49 1wpi n ASN 19 N 1.33 0.16 -1.35 3.53 4.13 -1.23 -3.94 115.26 117.89 1wpi n ASN 19 Ca -0.13 -2.10 0.06 0.00 1.68 0.00 0.00 54.58 54.09 1wpi n ASN 19 Cb 0.53 0.05 -0.03 0.00 -1.54 0.00 0.00 39.78 38.79 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 -0.94 -6.14 0.00 6.41 -0.08 -1.21 -3.57 116.55 111.02 1wpi n ASP 20 Ca -0.05 1.27 0.00 0.00 -1.51 0.00 0.00 54.79 54.50 1wpi n ASP 20 Cb 0.85 -4.20 0.00 0.00 2.34 0.00 0.00 41.12 40.11 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 -3.17 0.00 0.00 5.18 -6.64 -1.00 -2.23 119.36 111.50 1wpi n ILE 21 Ca -0.03 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.95 1wpi n ILE 21 Cb 0.43 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.63 1wpi n ILE 21 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1wpi n ALA 22 N -1.54 0.00 -0.82 -1.28 0.00 -1.26 -4.73 120.51 110.87 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 0.45 0.00 0.00 0.00 177.50 177.95 1wpi n SER 23 N 0.00 0.00 -4.53 0.00 2.88 -1.26 -3.55 113.62 107.16 1wpi n SER 23 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.13 1wpi n SER 23 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1wpi n SER 23 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1wpi s ASN 24 N -2.46 6.21 0.28 -3.46 0.01 -1.26 -4.87 114.94 109.39 1wpi s ASN 24 Ca 0.00 -0.47 -0.01 0.00 -0.71 0.00 0.00 52.86 51.67 1wpi s ASN 24 Cb 0.00 -2.52 0.63 0.00 0.41 0.00 0.00 41.25 39.77 1wpi s ASN 24 CO 0.00 -1.68 1.62 0.40 -1.51 0.00 0.00 177.10 175.93 1wpi h ILE 25 N 6.04 0.25 0.05 0.60 1.08 -1.95 2.45 117.51 126.02 1wpi h ILE 25 Ca -0.28 -0.04 -0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1wpi h ILE 25 Cb 1.06 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.92 1wpi h ILE 25 CO 1.24 0.02 -0.02 0.11 -0.69 0.00 0.00 178.15 178.81 1wpi h LYS 26 N 0.12 -0.06 -0.02 2.37 1.57 -1.92 -3.10 116.57 115.53 1wpi h LYS 26 Ca 0.52 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.31 1wpi h LYS 26 Cb 1.01 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1wpi h LYS 26 CO -0.73 -0.04 -0.14 0.66 -0.57 0.00 0.00 179.45 178.63 1wpi h SER 27 N -0.69 -0.43 -1.72 0.86 4.64 -1.83 0.14 113.55 114.52 1wpi h SER 27 Ca -0.01 0.05 0.53 0.00 -0.47 0.00 0.00 61.79 61.89 1wpi h SER 27 Cb 0.05 0.17 -0.10 0.00 -0.31 0.00 0.00 62.40 62.20 1wpi h SER 27 CO 0.01 -0.13 1.19 -0.61 -0.87 0.00 0.00 176.83 176.43 1wpi h GLN 28 N -0.16 0.01 0.00 4.77 5.75 0.40 1.31 115.11 127.19 1wpi h GLN 28 Ca 0.01 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1wpi h GLN 28 Cb 0.18 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.73 1wpi h GLN 28 CO -0.10 0.01 0.00 1.17 -2.65 0.00 0.00 178.83 177.25 1wpi n LYS 29 N -4.26 0.00 -0.10 1.69 0.00 0.48 -3.48 118.16 112.48 1wpi n LYS 29 Ca 0.42 0.09 -0.19 0.00 0.00 0.00 0.00 58.31 58.64 1wpi n LYS 29 Cb 1.81 -0.94 -0.08 0.00 0.00 0.00 0.00 35.03 35.82 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 -4.44 0.16 0.06 0.00 7.99 0.44 0.40 117.00 121.62 1wpi n LEU 31 Ca -0.30 0.94 -0.22 0.00 -0.01 0.00 0.00 56.01 56.42 1wpi n LEU 31 Cb 0.62 -0.46 -0.15 0.00 -0.11 0.00 0.00 43.42 43.32 1wpi n LEU 31 CO 0.14 -1.03 -0.22 1.56 -1.51 0.00 0.00 177.39 176.32 1wpi h GLN 32 N 0.00 0.36 -0.47 3.23 1.08 -1.19 -2.00 115.11 116.11 1wpi h GLN 32 Ca 0.57 -0.61 0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1wpi h GLN 32 Cb 1.77 0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 29.39 1wpi h GLN 32 CO -0.35 1.29 0.27 1.25 -0.95 0.00 0.00 178.83 180.35 1wpi h LEU 33 N -0.17 0.43 -0.62 1.46 6.46 0.79 0.17 115.31 123.83 1wpi h LEU 33 Ca -0.24 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 1wpi h LEU 33 Cb 1.86 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.71 1wpi h LEU 33 CO 0.16 0.31 0.00 -0.07 -0.62 0.00 0.00 178.44 178.22 1wpi h LEU 34 N 0.54 0.00 -0.52 2.25 4.07 0.40 -2.91 115.31 119.14 1wpi h LEU 34 Ca 0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.15 1wpi h LEU 34 Cb 0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1wpi h LEU 34 CO -0.10 0.00 0.10 1.17 -1.08 0.00 0.00 178.44 178.53 1wpi n LYS 35 N -2.88 0.05 0.00 1.13 4.81 0.05 -3.46 118.16 117.85 1wpi n LYS 35 Ca 0.03 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1wpi n LYS 35 Cb 0.40 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.68 1wpi n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wpi n GLY 36 N -1.36 0.68 0.00 3.14 0.00 -1.10 -4.98 105.19 101.57 1wpi n GLY 36 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1wpi n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wpi n ASP 37 N 0.00 -0.10 -3.54 1.61 8.00 -1.22 -5.12 116.55 116.18 1wpi n ASP 37 Ca 0.00 -0.70 -0.12 0.00 0.71 0.00 0.00 54.79 54.67 1wpi n ASP 37 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 1wpi n ASP 37 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wpi s VAL 38 N -0.75 0.00 -2.46 2.53 1.01 -1.26 -4.91 120.40 114.55 1wpi s VAL 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1wpi s VAL 38 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 1wpi s VAL 38 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.10 174.86 1wpi n SER 39 N 0.56 0.00 0.00 3.32 2.88 -1.26 -4.93 113.62 114.19 1wpi n SER 39 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1wpi n SER 39 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1wpi n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wpi n HIS 40 N 4.43 0.00 0.00 0.66 1.44 -1.26 -4.94 115.22 115.54 1wpi n HIS 40 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1wpi n HIS 40 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1wpi n HIS 40 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1wpi n ARG 41 N 0.00 0.00 -3.92 -1.40 5.12 -1.26 -4.70 116.66 110.50 1wpi n ARG 41 Ca 0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.82 1wpi n ARG 41 Cb 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.29 1wpi n ARG 41 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1wpi s PHE 42 N 0.00 0.36 -0.09 -1.55 0.40 -1.26 -5.06 117.98 110.78 1wpi s PHE 42 Ca 0.00 -0.84 -0.09 0.00 -0.60 0.00 0.00 56.93 55.40 1wpi s PHE 42 Cb 0.00 0.47 -0.04 0.00 0.51 0.00 0.00 43.02 43.96 1wpi s PHE 42 CO 0.00 -1.31 0.21 -0.51 0.70 0.00 0.00 175.22 174.31 1wpi s ASP 43 N -3.08 6.49 0.10 1.36 1.11 -1.26 -4.94 116.67 116.45 1wpi s ASP 43 Ca 0.20 0.59 -0.17 0.00 0.18 0.00 0.00 52.55 53.35 1wpi s ASP 43 Cb -0.03 -2.12 -0.07 0.00 1.07 0.00 0.00 42.92 41.77 1wpi s ASP 43 CO 0.13 0.36 0.55 -0.69 1.18 0.00 0.00 175.17 176.70 1wpi s VAL 44 N -0.91 4.82 -0.32 -1.27 1.01 -1.26 -3.81 120.40 118.65 1wpi s VAL 44 Ca 0.17 1.00 -0.13 0.00 0.00 0.00 0.00 61.98 63.02 1wpi s VAL 44 Cb -0.13 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1wpi s VAL 44 CO 0.06 0.41 0.27 -0.70 0.00 0.00 0.00 175.10 175.14 1wpi s GLU 45 N -1.51 3.66 -0.40 2.72 2.56 0.13 -4.96 118.70 120.89 1wpi s GLU 45 Ca 0.33 -0.46 0.02 0.00 0.00 0.00 0.00 54.97 54.85 1wpi s GLU 45 Cb -0.17 -3.76 0.11 0.00 2.00 0.00 0.00 34.13 32.31 1wpi s GLU 45 CO 0.19 -0.39 0.15 0.42 -0.56 0.00 0.00 175.26 175.06 1wpi s ILE 46 N 1.83 2.68 -0.06 -3.70 1.09 -1.24 0.44 121.20 122.24 1wpi s ILE 46 Ca 0.08 -2.46 -0.09 0.00 -1.10 0.00 0.00 60.65 57.08 1wpi s ILE 46 Cb -0.17 -2.90 0.02 0.00 -1.06 0.00 0.00 42.46 38.35 1wpi s ILE 46 CO 0.11 -0.67 0.23 0.00 -0.10 0.00 0.00 174.94 174.51 1wpi s ALA 47 N 0.72 -0.57 -0.18 9.38 0.00 -0.78 -4.96 121.76 125.38 1wpi s ALA 47 Ca 0.12 0.46 -0.24 0.00 0.00 0.00 0.00 51.96 52.29 1wpi s ALA 47 Cb -0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 1wpi s ALA 47 CO -0.06 -0.16 0.79 0.54 0.00 0.00 0.00 175.76 176.87 1wpi s ASN 48 N -0.40 6.89 0.07 0.00 2.20 -1.26 0.40 114.94 122.84 1wpi s ASN 48 Ca -0.05 1.09 0.04 0.00 -0.94 0.00 0.00 52.86 53.00 1wpi s ASN 48 Cb -0.03 -2.43 -0.03 0.00 -2.00 0.00 0.00 41.25 36.76 1wpi s ASN 48 CO 0.01 -0.37 -0.11 -0.60 -2.94 0.00 0.00 177.10 173.09 1wpi s ARG 49 N 2.10 0.76 0.26 3.55 6.06 -1.25 -4.80 118.95 125.63 1wpi s ARG 49 Ca 0.36 -0.99 -0.29 0.00 -2.50 0.00 0.00 55.73 52.31 1wpi s ARG 49 Cb -0.16 -0.59 -0.09 0.00 0.06 0.00 0.00 34.95 34.17 1wpi s ARG 49 CO 0.12 0.11 0.94 -0.59 -2.50 0.00 0.00 175.30 173.38 1wpi s PHE 50 N -1.75 3.90 -1.14 5.12 -0.12 -1.26 -4.75 117.98 117.98 1wpi s PHE 50 Ca -0.01 1.88 -0.07 0.00 -0.05 0.00 0.00 56.93 58.67 1wpi s PHE 50 Cb -0.07 -2.97 -0.08 0.00 -0.63 0.00 0.00 43.02 39.27 1wpi s PHE 50 CO 0.01 0.37 2.51 -0.35 -0.05 0.00 0.00 175.22 177.70 1wpi n PRO 51 N 1.23 2.69 -3.76 1.99 -0.04 -1.26 -4.86 135.00 130.98 1wpi n PRO 51 Ca -0.01 -1.70 -0.35 0.00 -0.04 0.00 0.00 63.50 61.39 1wpi n PRO 51 Cb 0.48 -2.55 -0.09 0.00 -0.04 0.00 0.00 33.50 31.30 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 2.78 5.25 -0.01 0.52 -4.23 -1.26 -4.72 115.64 113.98 1wpi s THR 52 Ca 0.52 0.14 0.32 0.00 -1.18 0.00 0.00 61.69 61.49 1wpi s THR 52 Cb 0.14 -3.41 0.38 0.00 1.34 0.00 0.00 72.50 70.95 1wpi s THR 52 CO -0.04 0.42 1.92 4.11 -0.54 0.00 0.00 174.62 180.48 1wpi h TRP 53 N 6.95 0.00 -0.06 3.99 0.09 -1.93 -1.77 115.95 123.22 1wpi h TRP 53 Ca -0.39 0.00 0.04 0.00 0.09 0.00 0.00 58.89 58.62 1wpi h TRP 53 Cb 1.16 0.00 -0.06 0.00 0.08 0.00 0.00 29.16 30.34 1wpi h TRP 53 CO 0.60 0.00 -0.43 0.22 0.09 0.00 0.00 178.44 178.92 1wpi h ASP 54 N 0.00 -1.33 0.00 0.11 3.58 -1.97 3.40 116.42 120.21 1wpi h ASP 54 Ca 0.00 0.17 -0.05 0.00 0.42 0.00 0.00 57.03 57.57 1wpi h ASP 54 Cb 0.59 0.53 -0.01 0.00 1.72 0.00 0.00 39.33 42.16 1wpi h ASP 54 CO 0.00 -0.45 -0.26 -0.61 -2.88 0.00 0.00 179.24 175.04 1wpi h GLN 55 N -0.54 0.00 0.00 0.28 5.75 -1.94 -3.26 115.11 115.40 1wpi h GLN 55 Ca 0.06 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1wpi h GLN 55 Cb 0.65 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.20 1wpi h GLN 55 CO -0.36 0.90 0.00 1.28 -2.65 0.00 0.00 178.83 178.00 1wpi n LEU 56 N -4.59 0.46 -0.57 -2.39 4.32 -0.67 -2.76 117.00 110.79 1wpi n LEU 56 Ca -0.14 0.70 0.43 0.00 -0.02 0.00 0.00 56.01 56.99 1wpi n LEU 56 Cb 0.48 -0.75 0.68 0.00 -1.62 0.00 0.00 43.42 42.20 1wpi n LEU 56 CO 0.28 -0.83 1.22 1.67 -1.22 0.00 0.00 177.39 178.51 1wpi n GLN 57 N -2.11 -0.00 0.25 3.23 7.27 1.13 0.15 117.38 127.29 1wpi n GLN 57 Ca -0.01 0.93 -0.15 0.00 0.07 0.00 0.00 57.00 57.85 1wpi n GLN 57 Cb 0.05 -2.10 -0.08 0.00 2.41 0.00 0.00 30.24 30.52 1wpi n GLN 57 CO 0.00 0.00 0.00 -0.92 0.07 0.00 0.00 177.06 176.21 1wpi h TYR 58 N 0.00 -0.59 -0.00 3.69 3.20 -1.75 -2.07 116.97 119.45 1wpi h TYR 58 Ca 0.79 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 62.48 1wpi h TYR 58 Cb 3.08 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 41.52 1wpi h TYR 58 CO -0.00 -0.28 -0.74 0.52 -1.64 0.00 0.00 178.16 176.02 1wpi h MET 59 N -0.88 0.02 -1.01 1.82 2.86 0.10 -3.14 114.93 114.71 1wpi h MET 59 Ca -0.07 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1wpi h MET 59 Cb 0.58 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.19 1wpi h MET 59 CO 0.11 0.75 0.66 -0.09 1.06 0.00 0.00 176.91 179.40 1wpi h ARG 60 N 0.01 1.26 -0.32 1.72 1.12 0.25 -2.18 114.38 116.24 1wpi h ARG 60 Ca -0.01 -0.08 -0.05 0.00 -1.11 0.00 0.00 59.98 58.74 1wpi h ARG 60 Cb 1.31 -0.28 -0.01 0.00 -0.01 0.00 0.00 29.97 30.97 1wpi h ARG 60 CO 0.10 0.83 0.02 1.79 -3.11 0.00 0.00 179.97 179.60 1wpi h THR 61 N 1.30 1.25 -0.50 0.20 1.35 -1.33 -2.87 112.91 112.31 1wpi h THR 61 Ca 0.39 -0.90 -0.31 0.00 -0.55 0.00 0.00 66.41 65.05 1wpi h THR 61 Cb -0.03 1.20 -0.12 0.00 -1.73 0.00 0.00 68.15 67.46 1wpi h THR 61 CO -0.12 0.29 0.28 -1.54 -0.25 0.00 0.00 175.52 174.19 1wpi n SER 62 N -4.57 6.21 -3.65 5.36 3.41 -0.85 -4.76 113.62 114.78 1wpi n SER 62 Ca -0.02 -2.96 -0.04 0.00 -0.26 0.00 0.00 58.87 55.59 1wpi n SER 62 Cb 0.24 -1.14 -0.07 0.00 -0.26 0.00 0.00 64.21 62.98 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 3.74 0.45 -0.49 0.00 0.13 -1.86 -3.01 132.00 130.95 1wpi h PRO 64 Ca -0.27 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 1wpi h PRO 64 Cb 1.19 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1wpi h PRO 64 CO 0.17 1.08 0.00 1.04 -0.23 0.00 0.00 178.00 180.06 1wpi n GLN 65 N -3.79 2.20 0.00 0.86 6.02 -1.26 -4.79 117.38 116.62 1wpi n GLN 65 Ca -0.06 -1.68 0.00 0.00 -0.01 0.00 0.00 57.00 55.25 1wpi n GLN 65 Cb 0.79 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.63 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 1.14 0.00 0.13 1.08 0.00 -1.14 0.72 105.19 107.13 1wpi n GLY 66 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -0.75 1.61 0.13 -1.87 -3.26 132.00 127.86 1wpi h PRO 67 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.26 1wpi h PRO 67 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 1wpi h PRO 67 CO 0.00 0.63 -0.30 0.28 -0.23 0.00 0.00 178.00 178.38 1wpi h VAL 68 N 0.00 0.15 0.00 1.56 2.07 -0.64 1.98 116.25 121.38 1wpi h VAL 68 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1wpi h VAL 68 Cb 1.23 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1wpi h VAL 68 CO 0.08 0.00 -0.16 0.28 0.02 0.00 0.00 177.57 177.80 1wpi h SER 69 N -0.07 0.00 0.16 0.57 0.02 0.26 0.52 113.55 115.01 1wpi h SER 69 Ca 0.31 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 1wpi h SER 69 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1wpi h SER 69 CO -0.79 0.16 -0.08 -0.07 -1.14 0.00 0.00 176.83 174.90 1wpi h LEU 70 N 0.00 -0.18 0.36 5.07 4.07 0.26 -1.30 115.31 123.59 1wpi h LEU 70 Ca -0.00 -0.35 -0.02 0.00 0.08 0.00 0.00 57.88 57.59 1wpi h LEU 70 Cb 0.32 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1wpi h LEU 70 CO 0.02 0.32 -0.17 1.56 -1.08 0.00 0.00 178.44 179.09 1wpi h GLN 71 N -0.75 -0.47 -0.13 1.13 1.08 0.90 -2.51 115.11 114.36 1wpi h GLN 71 Ca -0.02 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.25 1wpi h GLN 71 Cb 0.52 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 1wpi h GLN 71 CO 0.04 -0.17 0.27 0.00 -0.95 0.00 0.00 178.83 178.02 1wpi h ARG 72 N -0.75 0.00 -0.32 1.46 -0.00 -0.07 0.14 114.38 114.84 1wpi h ARG 72 Ca -0.05 0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 59.30 1wpi h ARG 72 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.47 1wpi h ARG 72 CO 0.08 0.00 -0.29 1.96 0.00 0.00 0.00 179.97 181.72 1wpi h GLN 73 N 0.00 0.76 -7.28 0.04 1.08 -0.79 -3.45 115.11 105.47 1wpi h GLN 73 Ca 0.06 -0.39 -0.44 0.00 -1.45 0.00 0.00 58.65 56.42 1wpi h GLN 73 Cb 0.60 0.01 0.18 0.00 -0.05 0.00 0.00 27.48 28.22 1wpi h GLN 73 CO -0.00 1.02 0.12 -1.50 -0.95 0.00 0.00 178.83 177.52 1wpi s ILE 74 N -4.40 2.01 -0.07 2.54 2.07 0.50 -4.69 121.20 119.16 1wpi s ILE 74 Ca -0.12 0.00 -0.19 0.00 -1.41 0.00 0.00 60.65 58.93 1wpi s ILE 74 Cb 0.09 -2.34 -0.15 0.00 0.13 0.00 0.00 42.46 40.19 1wpi s ILE 74 CO 0.84 -0.00 0.72 1.55 -1.91 0.00 0.00 174.94 176.14 1wpi h PRO 75 N -2.20 -0.15 -2.43 3.50 0.13 -1.87 -3.32 132.00 125.66 1wpi h PRO 75 Ca -0.58 0.01 -0.63 0.00 -0.87 0.00 0.00 66.00 63.93 1wpi h PRO 75 Cb 1.34 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.38 1wpi h PRO 75 CO 0.55 0.30 1.77 1.63 -0.23 0.00 0.00 178.00 182.02 1wpi n LYS 76 N -4.86 3.73 0.11 0.86 4.76 -1.26 -4.71 118.16 116.80 1wpi n LYS 76 Ca -0.07 -2.89 -0.11 0.00 -2.87 0.00 0.00 58.31 52.37 1wpi n LYS 76 Cb 0.26 -2.46 -0.06 0.00 -1.84 0.00 0.00 35.03 30.92 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 5.16 -0.97 -1.59 -0.35 -0.00 -1.72 0.40 115.31 116.24 1wpi h LEU 77 Ca 0.60 0.09 0.46 0.00 -0.00 0.00 0.00 57.88 59.03 1wpi h LEU 77 Cb 0.49 0.34 -0.06 0.00 -0.00 0.00 0.00 40.66 41.43 1wpi h LEU 77 CO 1.25 -0.38 1.33 -0.67 -0.00 0.00 0.00 178.44 179.97 1wpi n ASP 78 N -4.35 0.00 -0.06 0.17 2.03 -1.26 0.77 116.55 113.84 1wpi n ASP 78 Ca -0.06 0.89 -0.02 0.00 0.52 0.00 0.00 54.79 56.11 1wpi n ASP 78 Cb 0.27 -0.40 -0.01 0.00 -0.72 0.00 0.00 41.12 40.26 1wpi n ASP 78 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1wpi h SER 79 N 0.00 0.00 1.19 1.67 4.64 -1.00 -3.37 113.55 116.68 1wpi h SER 79 Ca 0.76 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.91 1wpi h SER 79 Cb 3.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 65.48 1wpi h SER 79 CO -0.01 0.60 -0.39 1.62 -0.87 0.00 0.00 176.83 177.78 1wpi h VAL 80 N -1.00 0.78 0.00 0.95 3.04 0.41 0.67 116.25 121.10 1wpi h VAL 80 Ca -0.01 -1.75 0.00 0.00 -1.01 0.00 0.00 66.70 63.94 1wpi h VAL 80 Cb 0.19 2.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 1wpi h VAL 80 CO -0.00 0.39 0.00 -0.11 -1.01 0.00 0.00 177.57 176.83 1wpi n LEU 81 N -3.35 0.00 0.00 3.16 7.94 3.96 -4.32 117.00 124.38 1wpi n LEU 81 Ca 0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1wpi n LEU 81 Cb 0.60 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.55 1wpi n LEU 81 CO 0.38 0.00 0.00 2.29 -1.11 0.00 0.00 177.39 178.95 1wpi n LYS 82 N -0.76 0.00 0.00 1.96 2.85 -1.09 -4.94 118.16 116.18 1wpi n LYS 82 Ca 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 1wpi n LYS 82 Cb 0.01 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.39 1wpi n LYS 82 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1wpi n TYR 83 N 0.00 0.00 0.00 5.58 4.01 -1.14 -4.90 117.16 120.71 1wpi n TYR 83 Ca 0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1wpi n TYR 83 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 -0.01 2.85 -0.36 -0.72 0.00 0.23 -3.04 118.16 117.12 1wpi n LYS 84 Ca 0.00 0.00 0.28 0.00 0.00 0.00 0.00 58.31 58.59 1wpi n LYS 84 Cb 0.23 0.00 0.43 0.00 0.00 0.00 0.00 35.03 35.69 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 0.12 -0.30 5.64 8.25 -1.25 0.32 115.22 128.00 1wpi n HIS 85 Ca 0.00 0.12 0.35 0.00 -0.26 0.00 0.00 57.72 57.93 1wpi n HIS 85 Cb 0.00 -0.43 0.73 0.00 1.12 0.00 0.00 29.99 31.41 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 0.34 0.00 1.59 1.03 -1.74 -2.94 112.91 111.19 1wpi h THR 86 Ca 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.91 1wpi h THR 86 Cb 1.95 0.37 0.00 0.00 -1.07 0.00 0.00 68.15 69.39 1wpi h THR 86 CO -0.09 0.00 0.00 -0.67 -0.01 0.00 0.00 175.52 174.75 1wpi n ASP 87 N -4.03 0.00 -0.75 0.00 2.03 0.94 -3.61 116.55 111.13 1wpi n ASP 87 Ca 0.25 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1wpi n ASP 87 Cb 1.26 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.66 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 -0.09 -0.67 -0.04 -1.26 -2.66 135.00 131.03 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 -1.25 -0.12 0.00 -0.04 0.00 0.00 33.50 32.09 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 0.38 1.59 -0.06 0.52 5.66 -1.24 -4.62 114.28 116.50 1wpi n THR 89 Ca 0.00 -0.53 -0.05 0.00 -3.05 0.00 0.00 64.05 60.42 1wpi n THR 89 Cb 0.28 -1.63 -0.12 0.00 -1.55 0.00 0.00 70.33 67.32 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 -3.56 0.00 0.00 1.09 3.72 -1.11 -4.49 117.46 113.12 1wpi n PHE 90 Ca -0.42 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.98 1wpi n PHE 90 Cb 0.97 -0.68 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 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 2.04 -1.47 0.09 1.37 0.00 -1.09 0.06 105.19 106.19 1wpi n GLY 91 Ca -0.21 -0.11 0.03 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.02 -3.98 1.61 -0.00 -1.26 -2.30 117.12 111.17 1wpi n MET 92 Ca 0.00 0.41 -0.31 0.00 -0.00 0.00 0.00 57.70 57.80 1wpi n MET 92 Cb 0.00 -0.63 -0.15 0.00 -0.00 0.00 0.00 33.22 32.44 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 -5.04 4.56 -0.18 3.17 1.01 -1.23 -4.86 116.67 114.09 1wpi s ASP 93 Ca -0.04 -1.93 -0.15 0.00 0.71 0.00 0.00 52.55 51.15 1wpi s ASP 93 Cb 0.08 -1.48 -0.09 0.00 1.01 0.00 0.00 42.92 42.44 1wpi s ASP 93 CO 0.21 -0.35 -0.14 -0.11 0.21 0.00 0.00 175.17 174.98 1wpi n LEU 94 N 4.39 1.87 0.06 1.23 -0.00 0.11 -3.41 117.00 121.24 1wpi n LEU 94 Ca -0.00 0.48 0.18 0.00 -0.00 0.00 0.00 56.01 56.67 1wpi n LEU 94 Cb 0.42 -0.86 0.70 0.00 -0.00 0.00 0.00 43.42 43.68 1wpi n LEU 94 CO 0.20 -0.11 1.16 -0.61 -0.00 0.00 0.00 177.39 178.04 1wpi h GLN 95 N -1.00 0.00 0.00 1.96 -0.00 -1.85 0.66 115.11 114.87 1wpi h GLN 95 Ca -0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.45 1wpi h GLN 95 Cb 0.96 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.43 1wpi h GLN 95 CO -0.11 0.00 -0.08 0.87 0.00 0.00 0.00 178.83 179.51 1wpi h LYS 96 N 0.00 0.00 0.01 1.69 1.79 -1.91 2.74 116.57 120.90 1wpi h LYS 96 Ca 0.20 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.28 1wpi h LYS 96 Cb 0.83 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.42 1wpi h LYS 96 CO -0.00 0.08 -2.17 0.00 -1.08 0.00 0.00 179.45 176.28 1wpi h VAL 98 N -0.70 1.16 -1.28 0.00 2.07 0.21 0.22 116.25 117.93 1wpi h VAL 98 Ca -0.57 -0.61 0.37 0.00 0.82 0.00 0.00 66.70 66.72 1wpi h VAL 98 Cb 1.64 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 32.32 1wpi h VAL 98 CO -0.26 0.21 1.26 0.06 0.02 0.00 0.00 177.57 178.86 1wpi h GLN 99 N 0.37 0.00 0.00 1.57 -0.00 0.47 -3.40 115.11 114.11 1wpi h GLN 99 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 1wpi h GLN 99 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.72 1wpi h GLN 99 CO 0.01 0.00 0.00 2.89 -0.00 0.00 0.00 178.83 181.73 1wpi n ARG 100 N -3.44 0.00 0.00 0.06 -4.01 -0.85 -5.02 116.66 103.40 1wpi n ARG 100 Ca 0.29 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.10 1wpi n ARG 100 Cb 1.65 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 31.07 1wpi n ARG 100 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1wpi n GLY 101 N 0.00 -1.66 0.00 2.89 0.00 0.73 -4.29 105.19 102.86 1wpi n GLY 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.96 0.99 -0.00 -0.92 -4.67 117.00 108.45 1wpi n LEU 102 Ca 0.00 0.23 -0.08 0.00 -0.00 0.00 0.00 56.01 56.16 1wpi n LEU 102 Cb 0.00 -0.01 -0.09 0.00 -0.00 0.00 0.00 43.42 43.32 1wpi n LEU 102 CO 0.00 -0.01 -0.22 0.26 -0.00 0.00 0.00 177.39 177.41 1wpi s TRP 103 N -1.13 0.29 -0.71 1.96 0.52 -1.25 -5.07 118.94 113.56 1wpi s TRP 103 Ca 0.00 -0.72 -0.09 0.00 0.02 0.00 0.00 56.10 55.30 1wpi s TRP 103 Cb 0.00 -0.20 0.19 0.00 -1.15 0.00 0.00 33.47 32.31 1wpi s TRP 103 CO 0.00 -0.43 0.60 0.54 0.02 0.00 0.00 176.95 177.68 1wpi s ASN 104 N -2.65 6.08 1.03 2.95 4.22 -1.26 -4.25 114.94 121.06 1wpi s ASN 104 Ca 0.02 -2.65 -0.16 0.00 -2.14 0.00 0.00 52.86 47.93 1wpi s ASN 104 Cb 0.04 -2.06 0.21 0.00 1.28 0.00 0.00 41.25 40.72 1wpi s ASN 104 CO -0.09 -0.52 1.19 -2.16 -2.04 0.00 0.00 177.10 173.49 1wpi s PRO 105 N 0.24 0.15 -0.41 3.55 0.04 -1.26 -4.93 135.00 132.37 1wpi s PRO 105 Ca 0.16 -0.08 0.09 0.00 0.04 0.00 0.00 61.00 61.21 1wpi s PRO 105 Cb -0.16 -1.76 0.34 0.00 0.04 0.00 0.00 34.50 32.96 1wpi s PRO 105 CO -0.06 -2.79 0.93 1.63 0.04 0.00 0.00 177.00 176.75 1wpi n LYS 106 N -4.11 1.00 -3.95 4.56 4.01 -1.13 -2.36 118.16 116.18 1wpi n LYS 106 Ca 0.12 -2.65 -0.09 0.00 -0.51 0.00 0.00 58.31 55.17 1wpi n LYS 106 Cb 0.59 -1.36 -0.11 0.00 -0.51 0.00 0.00 35.03 33.64 1wpi n LYS 106 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1wpi s GLU 107 N -1.07 0.36 -0.16 1.97 0.41 -0.95 -4.86 118.70 114.39 1wpi s GLU 107 Ca 0.31 -0.57 -0.01 0.00 -0.41 0.00 0.00 54.97 54.29 1wpi s GLU 107 Cb 0.32 0.13 -0.01 0.00 -1.78 0.00 0.00 34.13 32.79 1wpi s GLU 107 CO -0.06 -0.07 -0.10 0.00 -0.49 0.00 0.00 175.26 174.53 1wpi s ALA 108 N -1.49 2.68 -0.16 5.21 0.00 -1.26 -3.57 121.76 123.17 1wpi s ALA 108 Ca -0.15 -0.99 -0.16 0.00 0.00 0.00 0.00 51.96 50.66 1wpi s ALA 108 Cb -0.09 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 1wpi s ALA 108 CO -0.01 0.00 0.38 -0.51 0.00 0.00 0.00 175.76 175.62 1wpi s LEU 109 N 0.76 4.23 -0.05 0.00 1.02 -1.15 -0.29 118.68 123.19 1wpi s LEU 109 Ca -0.04 0.60 -0.01 0.00 0.02 0.00 0.00 54.13 54.70 1wpi s LEU 109 Cb -0.15 -2.51 -0.04 0.00 0.02 0.00 0.00 46.19 43.52 1wpi s LEU 109 CO 0.01 0.02 0.02 -1.66 0.02 0.00 0.00 176.35 174.77 1wpi s TRP 110 N 0.76 3.18 -0.27 0.29 1.48 -0.92 -0.04 118.94 123.42 1wpi s TRP 110 Ca 0.20 0.18 -0.13 0.00 -1.06 0.00 0.00 56.10 55.29 1wpi s TRP 110 Cb -0.14 -1.75 0.09 0.00 -1.16 0.00 0.00 33.47 30.51 1wpi s TRP 110 CO 0.07 0.49 0.63 0.54 -4.06 0.00 0.00 176.95 174.62 1wpi s VAL 111 N -1.01 -0.25 -0.01 -0.66 0.11 0.13 -1.33 120.40 117.39 1wpi s VAL 111 Ca 0.17 0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.29 1wpi s VAL 111 Cb -0.12 -0.93 -0.01 0.00 -1.53 0.00 0.00 36.38 33.79 1wpi s VAL 111 CO 0.07 0.01 -0.14 -1.81 -3.33 0.00 0.00 175.10 169.89 1wpi s ASP 112 N 1.92 1.70 -0.04 3.54 1.11 0.41 0.15 116.67 125.47 1wpi s ASP 112 Ca -0.09 -0.28 0.08 0.00 0.18 0.00 0.00 52.55 52.44 1wpi s ASP 112 Cb -0.07 -0.18 0.22 0.00 1.07 0.00 0.00 42.92 43.95 1wpi s ASP 112 CO -0.18 0.16 1.17 0.79 1.18 0.00 0.00 175.17 178.29 1wpi n TRP 113 N 2.63 0.30 -0.08 4.23 7.02 -1.25 -2.27 117.44 128.02 1wpi n TRP 113 Ca -0.15 -0.61 -0.22 0.00 -1.02 0.00 0.00 57.50 55.50 1wpi n TRP 113 Cb 0.55 -0.09 -0.12 0.00 -2.42 0.00 0.00 31.31 29.23 1wpi n TRP 113 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1wpi n GLU 114 N -0.24 0.63 -0.36 -0.99 4.07 -1.26 -4.36 120.64 118.13 1wpi n GLU 114 Ca 0.09 0.44 0.09 0.00 -0.06 0.00 0.00 57.16 57.71 1wpi n GLU 114 Cb 0.45 -1.70 0.23 0.00 -0.06 0.00 0.00 31.44 30.36 1wpi n GLU 114 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1wpi n ASN 115 N -4.09 3.52 -3.89 4.31 2.85 -1.26 -4.86 115.26 111.84 1wpi n ASN 115 Ca -0.35 -3.05 -0.29 0.00 -0.11 0.00 0.00 54.58 50.78 1wpi n ASN 115 Cb 0.82 -0.52 0.02 0.00 1.24 0.00 0.00 39.78 41.35 1wpi n ASN 115 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1wpi n LYS 116 N -0.73 -5.35 -4.46 1.20 0.00 -1.25 -4.95 118.16 102.61 1wpi n LYS 116 Ca 0.20 0.59 -0.34 0.00 -0.00 0.00 0.00 58.31 58.77 1wpi n LYS 116 Cb 0.84 -5.41 -0.12 0.00 -0.00 0.00 0.00 35.03 30.33 1wpi n LYS 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1wpi s LEU 117 N -7.19 3.18 0.01 -5.58 1.43 -0.96 -5.01 118.68 104.56 1wpi s LEU 117 Ca 0.55 -0.15 -0.07 0.00 -1.03 0.00 0.00 54.13 53.44 1wpi s LEU 117 Cb -0.28 -1.76 -0.00 0.00 0.03 0.00 0.00 46.19 44.18 1wpi s LEU 117 CO 0.83 0.18 0.12 -0.69 0.23 0.00 0.00 176.35 177.02 1wpi s VAL 118 N 0.31 0.09 -1.35 -1.59 1.01 -1.26 0.16 120.40 117.77 1wpi s VAL 118 Ca -0.04 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1wpi s VAL 118 Cb -0.14 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1wpi s VAL 118 CO 0.03 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.32 1wpi n GLY 119 N 1.33 -0.69 1.88 4.51 0.00 -0.44 -4.98 105.19 106.80 1wpi n GLY 119 Ca -0.22 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 1wpi n GLY 119 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wpi n ASN 120 N 0.16 0.00 -0.18 1.61 6.94 -1.26 -2.17 115.26 120.37 1wpi n ASN 120 Ca 0.00 -2.27 0.00 0.00 -0.02 0.00 0.00 54.58 52.29 1wpi n ASN 120 Cb 0.00 0.87 0.00 0.00 -2.36 0.00 0.00 39.78 38.29 1wpi n ASN 120 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1wpi n GLU 121 N -0.41 -0.50 0.08 -3.83 2.13 0.60 -4.29 120.64 114.41 1wpi n GLU 121 Ca 0.02 0.38 -0.08 0.00 0.66 0.00 0.00 57.16 58.14 1wpi n GLU 121 Cb 0.35 -0.43 0.02 0.00 0.27 0.00 0.00 31.44 31.65 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 0.15 0.22 0.00 5.31 0.13 -1.93 -3.01 132.00 132.87 1wpi h PRO 122 Ca 0.00 -0.21 -0.06 0.00 -0.87 0.00 0.00 66.00 64.86 1wpi h PRO 122 Cb 0.02 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.20 1wpi h PRO 122 CO 0.00 0.91 -0.29 0.00 -0.23 0.00 0.00 178.00 178.39 1wpi h ALA 123 N 1.02 1.29 -0.47 -0.56 0.00 -1.91 -2.75 119.26 115.88 1wpi h ALA 123 Ca -0.04 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.68 1wpi h ALA 123 Cb 1.40 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 1wpi h ALA 123 CO 0.12 0.36 0.13 -0.44 0.00 0.00 0.00 179.25 179.43 1wpi h ASP 124 N 0.00 0.09 -0.28 0.00 5.19 -1.71 -1.17 116.42 118.54 1wpi h ASP 124 Ca -0.00 0.07 0.07 0.00 -0.62 0.00 0.00 57.03 56.54 1wpi h ASP 124 Cb 0.60 0.08 -0.08 0.00 0.18 0.00 0.00 39.33 40.12 1wpi h ASP 124 CO 0.04 0.08 -0.25 0.40 -3.12 0.00 0.00 179.24 176.38 1wpi h ILE 125 N 0.28 0.36 -0.25 0.35 2.04 -1.60 1.86 117.51 120.56 1wpi h ILE 125 Ca 0.23 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.15 1wpi h ILE 125 Cb 0.27 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 36.64 1wpi h ILE 125 CO -0.27 0.00 -0.30 -0.78 0.00 0.00 0.00 178.15 176.80 1wpi h ASP 126 N -0.24 -0.96 0.58 1.72 3.58 -1.38 3.35 116.42 123.08 1wpi h ASP 126 Ca 0.15 0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.73 1wpi h ASP 126 Cb 0.48 0.43 0.01 0.00 1.72 0.00 0.00 39.33 41.96 1wpi h ASP 126 CO -0.42 -0.32 -0.28 0.11 -2.88 0.00 0.00 179.24 175.45 1wpi h LYS 127 N -0.31 -0.75 0.00 0.28 6.56 -0.07 -3.20 116.57 119.08 1wpi h LYS 127 Ca 0.13 0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.77 1wpi h LYS 127 Cb 0.52 0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.35 1wpi h LYS 127 CO -0.42 -0.49 0.00 0.98 -2.06 0.00 0.00 179.45 177.45 1wpi n TYR 128 N -5.42 0.00 -3.34 -1.35 9.36 0.62 -4.79 117.16 112.24 1wpi n TYR 128 Ca -0.13 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 60.87 1wpi n TYR 128 Cb 0.32 -0.05 -0.09 0.00 -0.63 0.00 0.00 39.34 38.90 1wpi n TYR 128 CO 0.00 0.00 0.00 0.96 0.22 0.00 0.00 176.86 178.04 1wpi s ILE 129 N -0.84 -0.04 1.03 2.97 -5.25 1.01 -4.84 121.20 115.24 1wpi s ILE 129 Ca 0.00 -1.75 -0.25 0.00 -0.99 0.00 0.00 60.65 57.66 1wpi s ILE 129 Cb 0.00 -0.93 -0.12 0.00 2.95 0.00 0.00 42.46 44.37 1wpi s ILE 129 CO 0.00 -0.87 -1.14 0.00 -1.79 0.00 0.00 174.94 171.15 1wpi n ILE 130 N 3.59 0.00 -0.29 8.37 0.00 0.47 -4.41 119.36 127.09 1wpi n ILE 130 Ca 0.18 -0.09 0.14 0.00 0.00 0.00 0.00 62.75 62.98 1wpi n ILE 130 Cb 0.45 -0.16 0.28 0.00 0.00 0.00 0.00 39.64 40.21 1wpi n ILE 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wpi n GLN 131 N 1.31 -0.06 0.12 9.51 10.64 -1.26 -0.55 117.38 137.09 1wpi n GLN 131 Ca -0.01 1.24 -0.06 0.00 -1.83 0.00 0.00 57.00 56.34 1wpi n GLN 131 Cb 0.72 -2.00 -0.03 0.00 -0.86 0.00 0.00 30.24 28.07 1wpi n GLN 131 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.06 175.30 1wpi h ARG 132 N 0.00 -0.38 0.00 2.61 0.11 -1.84 -3.44 114.38 111.44 1wpi h ARG 132 Ca 0.53 0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.64 1wpi h ARG 132 Cb 1.15 0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.31 1wpi h ARG 132 CO -0.77 -0.26 0.00 1.17 0.10 0.00 0.00 179.97 180.22