#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 -0.59 0.30 6.12 1.04 -1.26 -5.13 113.70 114.18 1wpi s SER 2 Ca 0.00 0.90 -0.20 0.00 0.48 0.00 0.00 55.95 57.14 1wpi s SER 2 Cb 0.00 0.84 0.03 0.00 0.10 0.00 0.00 66.02 66.99 1wpi s SER 2 CO 0.00 -0.36 0.75 -0.36 0.98 0.00 0.00 173.24 174.26 1wpi s PHE 3 N -0.42 -0.11 0.03 5.02 0.08 -1.26 -5.04 117.98 116.27 1wpi s PHE 3 Ca -0.03 -0.39 -0.13 0.00 0.12 0.00 0.00 56.93 56.49 1wpi s PHE 3 Cb -0.03 0.74 -0.34 0.00 -0.57 0.00 0.00 43.02 42.82 1wpi s PHE 3 CO 0.02 -1.29 0.98 0.11 -0.10 0.00 0.00 175.22 174.94 1wpi h TRP 4 N 2.00 0.88 -0.45 0.36 0.09 -1.89 -3.29 115.95 113.64 1wpi h TRP 4 Ca -0.23 -0.64 0.04 0.00 0.09 0.00 0.00 58.89 58.15 1wpi h TRP 4 Cb 1.25 -0.04 -0.04 0.00 0.08 0.00 0.00 29.16 30.41 1wpi h TRP 4 CO 0.67 1.54 0.22 0.87 0.09 0.00 0.00 178.44 181.82 1wpi h LYS 5 N 0.13 0.43 -6.24 0.12 6.56 -1.75 -3.36 116.57 112.46 1wpi h LYS 5 Ca -0.25 -0.03 -0.46 0.00 -1.06 0.00 0.00 60.65 58.85 1wpi h LYS 5 Cb 2.14 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 33.69 1wpi h LYS 5 CO 0.25 0.28 -0.40 0.99 -2.06 0.00 0.00 179.45 178.52 1wpi s THR 6 N -6.14 5.18 0.00 -0.16 2.01 -1.24 -4.27 115.64 111.01 1wpi s THR 6 Ca -0.13 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 60.94 1wpi s THR 6 Cb 0.13 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.80 1wpi s THR 6 CO 0.73 -0.35 0.00 0.00 -0.69 0.00 0.00 174.62 174.31 1wpi n LEU 7 N -1.47 0.00 -3.18 4.42 -0.00 -1.26 -4.29 117.00 111.22 1wpi n LEU 7 Ca -0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.79 1wpi n LEU 7 Cb 0.57 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.00 1wpi n LEU 7 CO 0.45 0.00 0.04 1.67 -0.00 0.00 0.00 177.39 179.56 1wpi n GLN 8 N 0.00 -1.83 0.00 1.47 7.27 -1.26 -4.80 117.38 118.23 1wpi n GLN 8 Ca 0.00 1.58 0.00 0.00 0.07 0.00 0.00 57.00 58.65 1wpi n GLN 8 Cb 0.00 -4.54 0.00 0.00 2.41 0.00 0.00 30.24 28.11 1wpi n GLN 8 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1wpi n ARG 9 N -1.13 0.00 -2.73 3.69 3.00 -1.26 -4.86 116.66 113.37 1wpi n ARG 9 Ca -0.03 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.40 1wpi n ARG 9 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.98 1wpi n ARG 9 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1wpi s GLN 10 N -5.11 4.54 -0.05 -0.14 0.00 -1.26 -4.95 119.66 112.68 1wpi s GLN 10 Ca 0.00 1.39 -0.30 0.00 -0.00 0.00 0.00 55.36 56.45 1wpi s GLN 10 Cb 0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 33.01 29.51 1wpi s GLN 10 CO 0.00 -0.07 1.22 -1.25 0.00 0.00 0.00 175.29 175.19 1wpi s PRO 11 N 1.12 4.34 0.00 9.60 0.04 -1.26 -4.59 135.00 144.24 1wpi s PRO 11 Ca 0.51 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1wpi s PRO 11 Cb -0.21 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1wpi s PRO 11 CO 0.26 -0.47 0.00 0.54 0.04 0.00 0.00 177.00 177.37 1wpi n ARG 12 N 5.27 0.00 -2.79 4.56 1.74 -1.26 -4.93 116.66 119.26 1wpi n ARG 12 Ca 0.11 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.77 1wpi n ARG 12 Cb 0.46 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.87 1wpi n ARG 12 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1wpi s THR 13 N 0.00 4.77 -0.27 0.55 2.01 -1.26 -4.16 115.64 117.29 1wpi s THR 13 Ca 0.00 1.79 -0.10 0.00 0.31 0.00 0.00 61.69 63.68 1wpi s THR 13 Cb 0.00 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 1wpi s THR 13 CO 0.00 -0.11 0.17 -0.63 -0.69 0.00 0.00 174.62 173.36 1wpi s ILE 14 N 2.91 5.18 -0.44 1.82 -1.09 -1.00 -3.69 121.20 124.89 1wpi s ILE 14 Ca 0.39 0.12 -0.05 0.00 -2.23 0.00 0.00 60.65 58.89 1wpi s ILE 14 Cb -0.15 -3.45 0.12 0.00 -1.58 0.00 0.00 42.46 37.39 1wpi s ILE 14 CO 0.08 0.28 0.26 -0.55 -1.23 0.00 0.00 174.94 173.78 1wpi s SER 15 N 1.57 5.40 -0.08 3.58 0.15 0.22 -2.16 113.70 122.38 1wpi s SER 15 Ca 0.07 -2.03 -0.00 0.00 0.70 0.00 0.00 55.95 54.69 1wpi s SER 15 Cb -0.15 -1.89 -0.03 0.00 -1.71 0.00 0.00 66.02 62.24 1wpi s SER 15 CO 0.09 -0.58 -0.05 -0.76 1.20 0.00 0.00 173.24 173.13 1wpi s LEU 16 N 1.16 3.28 0.11 3.45 1.43 0.92 0.18 118.68 129.22 1wpi s LEU 16 Ca 0.08 0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.26 1wpi s LEU 16 Cb -0.24 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1wpi s LEU 16 CO -0.03 0.36 -0.07 -0.36 0.23 0.00 0.00 176.35 176.48 1wpi s PHE 17 N -0.77 2.80 -0.11 0.29 0.40 0.37 -2.30 117.98 118.66 1wpi s PHE 17 Ca 0.12 -0.13 -0.11 0.00 -0.60 0.00 0.00 56.93 56.21 1wpi s PHE 17 Cb -0.11 -1.44 -0.05 0.00 0.51 0.00 0.00 43.02 41.93 1wpi s PHE 17 CO 0.02 0.45 0.25 0.99 0.70 0.00 0.00 175.22 177.63 1wpi s THR 18 N -1.31 5.32 -0.11 0.64 2.01 0.23 -2.39 115.64 120.02 1wpi s THR 18 Ca 0.23 0.46 0.23 0.00 0.31 0.00 0.00 61.69 62.92 1wpi s THR 18 Cb -0.11 -3.55 0.43 0.00 0.01 0.00 0.00 72.50 69.28 1wpi s THR 18 CO 0.15 0.52 1.15 0.59 -0.69 0.00 0.00 174.62 176.35 1wpi n ASN 19 N 2.58 1.00 -1.27 3.53 4.13 -1.20 -3.83 115.26 120.20 1wpi n ASN 19 Ca -0.16 -2.02 0.14 0.00 1.68 0.00 0.00 54.58 54.23 1wpi n ASN 19 Cb 0.53 -0.29 -0.08 0.00 -1.54 0.00 0.00 39.78 38.40 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 -0.04 -6.86 0.00 6.41 -0.08 -1.22 -2.49 116.55 112.27 1wpi n ASP 20 Ca 0.03 1.31 0.00 0.00 -1.51 0.00 0.00 54.79 54.62 1wpi n ASP 20 Cb 0.98 -4.33 0.00 0.00 2.34 0.00 0.00 41.12 40.10 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 -3.92 0.00 0.00 5.18 -0.00 -1.26 -0.53 119.36 118.84 1wpi n ILE 21 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.67 1wpi n ILE 21 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.22 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 -1.77 0.00 -0.95 -1.39 0.00 -1.26 -4.66 120.51 110.48 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 -4.52 0.00 7.64 -1.26 -3.72 113.62 111.76 1wpi n SER 23 Ca 0.00 0.29 -0.43 0.00 1.01 0.00 0.00 58.87 59.74 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 -2.86 6.32 0.32 6.43 0.01 -1.26 -4.88 114.94 119.01 1wpi s ASN 24 Ca 0.00 -0.40 0.06 0.00 -0.71 0.00 0.00 52.86 51.81 1wpi s ASN 24 Cb 0.00 -2.45 0.74 0.00 0.41 0.00 0.00 41.25 39.95 1wpi s ASN 24 CO 0.00 -1.31 1.81 0.40 -1.51 0.00 0.00 177.10 176.50 1wpi h ILE 25 N 6.03 0.78 0.00 0.60 5.03 -1.95 2.61 117.51 130.61 1wpi h ILE 25 Ca -0.26 -0.27 -0.01 0.00 -0.12 0.00 0.00 64.86 64.19 1wpi h ILE 25 Cb 1.07 -0.07 -0.00 0.00 -3.03 0.00 0.00 36.82 34.79 1wpi h ILE 25 CO 1.12 0.14 -0.11 0.11 -0.68 0.00 0.00 178.15 178.73 1wpi h LYS 26 N 0.78 0.00 0.40 2.37 1.79 -1.93 -3.01 116.57 116.98 1wpi h LYS 26 Ca 0.53 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.98 1wpi h LYS 26 Cb 0.80 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1wpi h LYS 26 CO -0.30 0.46 -0.22 1.03 -1.08 0.00 0.00 179.45 179.33 1wpi h SER 27 N -1.00 -0.55 -1.30 0.86 0.87 -1.85 -2.36 113.55 108.21 1wpi h SER 27 Ca -0.02 0.03 0.40 0.00 -1.23 0.00 0.00 61.79 60.96 1wpi h SER 27 Cb 0.51 0.15 -0.10 0.00 -0.44 0.00 0.00 62.40 62.52 1wpi h SER 27 CO -0.01 -0.36 0.87 -0.61 -0.53 0.00 0.00 176.83 176.19 1wpi h GLN 28 N -0.58 0.13 0.00 2.24 5.75 0.43 0.83 115.11 123.92 1wpi h GLN 28 Ca -0.05 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1wpi h GLN 28 Cb 0.45 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.97 1wpi h GLN 28 CO 0.07 0.09 0.00 1.17 -2.65 0.00 0.00 178.83 177.51 1wpi n LYS 29 N -4.52 0.00 -0.13 1.69 3.00 -0.89 -3.47 118.16 113.84 1wpi n LYS 29 Ca 0.33 0.10 -0.22 0.00 -0.00 0.00 0.00 58.31 58.52 1wpi n LYS 29 Cb 1.33 -0.63 -0.11 0.00 0.00 0.00 0.00 35.03 35.62 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 -3.58 0.16 0.07 0.00 7.99 0.26 0.14 117.00 122.03 1wpi n LEU 31 Ca -0.48 1.55 -0.21 0.00 -0.01 0.00 0.00 56.01 56.85 1wpi n LEU 31 Cb 0.95 -0.68 -0.15 0.00 -0.11 0.00 0.00 43.42 43.43 1wpi n LEU 31 CO 0.18 -1.67 -0.06 1.56 -1.51 0.00 0.00 177.39 175.89 1wpi h GLN 32 N 0.00 0.36 -0.53 3.23 1.08 -0.70 -2.39 115.11 116.16 1wpi h GLN 32 Ca 0.70 -0.61 0.10 0.00 -1.45 0.00 0.00 58.65 57.38 1wpi h GLN 32 Cb 1.72 0.23 -0.08 0.00 -0.05 0.00 0.00 27.48 29.30 1wpi h GLN 32 CO -0.77 1.29 0.10 1.25 -0.95 0.00 0.00 178.83 179.75 1wpi h LEU 33 N -0.23 -0.03 -0.98 1.46 6.46 0.11 0.51 115.31 122.61 1wpi h LEU 33 Ca -0.18 0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 1wpi h LEU 33 Cb 1.79 0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 41.86 1wpi h LEU 33 CO 0.18 0.01 -0.03 -0.07 -0.62 0.00 0.00 178.44 177.91 1wpi h LEU 34 N 0.23 0.00 0.00 2.25 4.07 0.84 -2.60 115.31 120.10 1wpi h LEU 34 Ca 0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1wpi h LEU 34 Cb 0.38 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1wpi h LEU 34 CO -0.36 0.03 0.00 1.17 -1.08 0.00 0.00 178.44 178.19 1wpi n LYS 35 N -3.12 0.31 0.00 1.13 0.00 0.18 -4.33 118.16 112.32 1wpi n LYS 35 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.33 1wpi n LYS 35 Cb 0.39 -1.42 0.00 0.00 0.00 0.00 0.00 35.03 34.00 1wpi n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wpi n GLY 36 N -0.36 -2.27 0.00 3.14 0.00 -0.98 -4.90 105.19 99.82 1wpi n GLY 36 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1wpi n GLY 36 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wpi n ASP 37 N 0.00 0.00 -3.88 1.61 2.03 -1.26 -5.04 116.55 110.01 1wpi n ASP 37 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 1wpi n ASP 37 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 1wpi n ASP 37 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wpi s VAL 38 N 0.00 0.02 0.10 5.18 0.11 -1.26 -5.11 120.40 119.43 1wpi s VAL 38 Ca 0.00 -1.12 -0.23 0.00 -2.93 0.00 0.00 61.98 57.70 1wpi s VAL 38 Cb 0.00 -1.89 0.06 0.00 -1.53 0.00 0.00 36.38 33.02 1wpi s VAL 38 CO 0.00 -0.09 0.56 -0.94 -3.33 0.00 0.00 175.10 171.30 1wpi s SER 39 N -2.94 -0.49 0.00 3.54 1.04 -1.26 -4.08 113.70 109.50 1wpi s SER 39 Ca 0.15 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1wpi s SER 39 Cb -0.01 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1wpi s SER 39 CO 0.03 -0.84 0.00 1.41 0.98 0.00 0.00 173.24 174.82 1wpi n HIS 40 N 0.03 0.00 0.08 5.02 8.25 -1.26 -4.99 115.22 122.35 1wpi n HIS 40 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1wpi n HIS 40 Cb 0.62 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.73 1wpi n HIS 40 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1wpi n ARG 41 N 0.00 0.00 -2.78 -0.41 0.00 -1.26 -5.04 116.66 107.16 1wpi n ARG 41 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.64 1wpi n ARG 41 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 32.46 32.49 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 -2.00 2.97 -0.33 2.89 -0.71 -1.26 -4.89 117.98 114.65 1wpi s PHE 42 Ca 0.00 0.04 -0.09 0.00 -1.04 0.00 0.00 56.93 55.84 1wpi s PHE 42 Cb 0.00 -2.58 0.01 0.00 -1.21 0.00 0.00 43.02 39.24 1wpi s PHE 42 CO 0.00 -0.67 0.14 -0.51 -1.34 0.00 0.00 175.22 172.84 1wpi s ASP 43 N -4.35 5.46 -0.21 1.98 1.01 -1.26 -4.77 116.67 114.53 1wpi s ASP 43 Ca 0.54 -0.80 -0.15 0.00 0.71 0.00 0.00 52.55 52.86 1wpi s ASP 43 Cb -0.10 -1.96 -0.04 0.00 1.01 0.00 0.00 42.92 41.83 1wpi s ASP 43 CO 0.38 -0.27 0.35 0.54 0.21 0.00 0.00 175.17 176.38 1wpi s VAL 44 N 1.54 5.23 -0.35 -1.27 0.11 -1.26 -2.37 120.40 122.03 1wpi s VAL 44 Ca 0.02 0.60 -0.11 0.00 -2.93 0.00 0.00 61.98 59.57 1wpi s VAL 44 Cb -0.18 -3.68 0.01 0.00 -1.53 0.00 0.00 36.38 31.00 1wpi s VAL 44 CO 0.05 0.27 0.19 -1.61 -3.33 0.00 0.00 175.10 170.67 1wpi s GLU 45 N 1.24 3.07 -0.41 1.54 0.41 -0.92 -4.98 118.70 118.65 1wpi s GLU 45 Ca 0.17 -0.91 -0.06 0.00 -0.41 0.00 0.00 54.97 53.75 1wpi s GLU 45 Cb -0.14 -3.67 0.09 0.00 -1.78 0.00 0.00 34.13 28.63 1wpi s GLU 45 CO 0.07 -0.57 0.23 0.42 -0.49 0.00 0.00 175.26 174.91 1wpi s ILE 46 N 1.59 3.78 -0.07 -1.63 1.09 -1.25 -0.06 121.20 124.65 1wpi s ILE 46 Ca 0.03 -1.68 -0.05 0.00 -1.10 0.00 0.00 60.65 57.86 1wpi s ILE 46 Cb -0.18 -3.41 0.03 0.00 -1.06 0.00 0.00 42.46 37.84 1wpi s ILE 46 CO 0.07 -0.57 0.18 0.00 -0.10 0.00 0.00 174.94 174.52 1wpi s ALA 47 N 1.30 -0.39 -0.25 9.38 0.00 -0.97 -4.91 121.76 125.92 1wpi s ALA 47 Ca 0.04 0.66 -0.20 0.00 0.00 0.00 0.00 51.96 52.46 1wpi s ALA 47 Cb -0.23 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1wpi s ALA 47 CO -0.01 -0.13 0.61 0.54 0.00 0.00 0.00 175.76 176.77 1wpi s ASN 48 N 0.74 6.57 0.04 0.00 2.20 -1.26 0.76 114.94 123.98 1wpi s ASN 48 Ca -0.05 0.69 -0.27 0.00 -0.94 0.00 0.00 52.86 52.29 1wpi s ASN 48 Cb -0.07 -2.33 0.08 0.00 -2.00 0.00 0.00 41.25 36.94 1wpi s ASN 48 CO -0.04 -0.34 0.72 -0.60 -2.94 0.00 0.00 177.10 173.90 1wpi s ARG 49 N 2.38 1.06 0.00 3.55 6.06 -1.25 -4.64 118.95 126.11 1wpi s ARG 49 Ca 0.26 -0.20 -0.30 0.00 -2.50 0.00 0.00 55.73 52.98 1wpi s ARG 49 Cb -0.16 0.49 -0.06 0.00 0.06 0.00 0.00 34.95 35.29 1wpi s ARG 49 CO 0.09 -0.42 1.43 -0.59 -2.50 0.00 0.00 175.30 173.31 1wpi s PHE 50 N -2.75 2.77 0.00 5.12 -0.71 -1.23 -4.72 117.98 116.47 1wpi s PHE 50 Ca -0.01 0.75 -0.03 0.00 -1.04 0.00 0.00 56.93 56.59 1wpi s PHE 50 Cb -0.01 -3.70 -0.15 0.00 -1.21 0.00 0.00 43.02 37.96 1wpi s PHE 50 CO -0.05 -2.62 2.47 -0.35 -1.34 0.00 0.00 175.22 173.33 1wpi n PRO 51 N 5.50 1.29 -1.26 1.99 -0.04 -1.26 -4.84 135.00 136.38 1wpi n PRO 51 Ca 0.14 -0.54 -0.34 0.00 -0.04 0.00 0.00 63.50 62.72 1wpi n PRO 51 Cb 0.43 -1.66 0.11 0.00 -0.04 0.00 0.00 33.50 32.34 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 1.22 2.18 0.57 0.52 -4.23 -1.26 -4.47 115.64 110.17 1wpi s THR 52 Ca 0.36 0.08 0.27 0.00 -1.18 0.00 0.00 61.69 61.23 1wpi s THR 52 Cb 0.17 -2.57 0.37 0.00 1.34 0.00 0.00 72.50 71.82 1wpi s THR 52 CO 0.00 -0.05 2.02 -0.50 -0.54 0.00 0.00 174.62 175.54 1wpi h TRP 53 N -0.64 0.00 -0.03 3.99 4.06 -1.93 0.77 115.95 122.17 1wpi h TRP 53 Ca -0.47 0.00 0.03 0.00 2.06 0.00 0.00 58.89 60.51 1wpi h TRP 53 Cb 1.29 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.40 1wpi h TRP 53 CO 0.47 0.00 -0.52 -0.44 -3.56 0.00 0.00 178.44 174.39 1wpi h ASP 54 N 0.00 -1.61 0.11 -3.49 5.19 -1.94 1.52 116.42 116.20 1wpi h ASP 54 Ca 0.16 0.19 -0.26 0.00 -0.62 0.00 0.00 57.03 56.50 1wpi h ASP 54 Cb 0.80 0.62 -0.00 0.00 0.18 0.00 0.00 39.33 40.93 1wpi h ASP 54 CO -0.00 -0.51 -1.33 -0.61 -3.12 0.00 0.00 179.24 173.68 1wpi h GLN 55 N -0.64 0.23 -0.28 3.56 5.75 -1.58 -3.30 115.11 118.86 1wpi h GLN 55 Ca 0.02 -0.40 0.08 0.00 -0.15 0.00 0.00 58.65 58.20 1wpi h GLN 55 Cb 0.71 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.39 1wpi h GLN 55 CO -0.37 1.19 0.28 1.25 -2.65 0.00 0.00 178.83 178.53 1wpi h LEU 56 N -0.35 0.00 -1.83 -2.39 7.12 0.54 -0.69 115.31 117.71 1wpi h LEU 56 Ca -0.29 0.00 0.44 0.00 0.13 0.00 0.00 57.88 58.17 1wpi h LEU 56 Cb 1.72 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 41.77 1wpi h LEU 56 CO 0.06 0.00 1.05 1.56 -0.13 0.00 0.00 178.44 180.98 1wpi h GLN 57 N 0.00 0.05 0.01 1.25 4.20 0.21 1.87 115.11 122.69 1wpi h GLN 57 Ca 0.13 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1wpi h GLN 57 Cb 0.69 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1wpi h GLN 57 CO -0.00 0.03 -0.00 1.88 -0.67 0.00 0.00 178.83 180.06 1wpi h TYR 58 N 0.05 -0.01 -0.01 2.96 0.05 -1.36 -3.12 116.97 115.52 1wpi h TYR 58 Ca 0.76 -0.00 -0.15 0.00 0.05 0.00 0.00 58.73 59.38 1wpi h TYR 58 Cb 2.83 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 40.55 1wpi h TYR 58 CO -0.00 0.57 -0.70 0.52 -1.05 0.00 0.00 178.16 177.49 1wpi h MET 59 N -0.60 0.06 -0.10 4.88 2.86 -0.07 -2.95 114.93 119.01 1wpi h MET 59 Ca -0.00 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1wpi h MET 59 Cb 0.58 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 1wpi h MET 59 CO 0.00 0.74 0.10 0.07 1.06 0.00 0.00 176.91 178.88 1wpi h ARG 60 N 0.04 0.00 0.12 1.72 -0.00 0.25 -0.57 114.38 115.94 1wpi h ARG 60 Ca -0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 59.98 59.79 1wpi h ARG 60 Cb 1.24 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 31.23 1wpi h ARG 60 CO 0.10 0.00 -0.84 1.79 -0.00 0.00 0.00 179.97 181.02 1wpi h THR 61 N 0.00 1.45 0.00 0.08 1.35 -1.46 -3.22 112.91 111.11 1wpi h THR 61 Ca 0.05 -2.48 0.00 0.00 -0.55 0.00 0.00 66.41 63.42 1wpi h THR 61 Cb 0.25 3.12 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 1wpi h THR 61 CO -0.00 0.69 0.00 -1.54 -0.25 0.00 0.00 175.52 174.42 1wpi n SER 62 N -4.15 0.00 -3.64 5.36 3.41 -0.68 -4.63 113.62 109.28 1wpi n SER 62 Ca -0.16 0.38 -0.05 0.00 -0.26 0.00 0.00 58.87 58.77 1wpi n SER 62 Cb 0.79 -0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 64.25 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 4.33 0.00 -0.40 0.00 0.13 -1.82 -2.67 132.00 131.57 1wpi h PRO 64 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1wpi h PRO 64 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wpi h PRO 64 CO 0.15 0.12 0.00 0.00 -0.23 0.00 0.00 178.00 178.04 1wpi n GLN 65 N -3.19 2.16 -0.16 0.86 10.64 -1.26 -4.16 117.38 122.28 1wpi n GLN 65 Ca 0.02 -1.78 -0.05 0.00 -1.83 0.00 0.00 57.00 53.36 1wpi n GLN 65 Cb 0.46 -1.43 0.14 0.00 -0.86 0.00 0.00 30.24 28.56 1wpi n GLN 65 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 1wpi h GLY 66 N 4.82 0.97 0.12 2.61 0.00 -1.71 0.94 103.07 110.82 1wpi h GLY 66 Ca 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1wpi h GLY 66 CO 0.00 0.56 -0.06 -0.56 0.00 0.00 0.00 176.54 176.48 1wpi h PRO 67 N 0.85 -0.16 -0.82 4.80 0.13 -1.79 -3.21 132.00 131.80 1wpi h PRO 67 Ca 0.18 0.01 0.24 0.00 -0.87 0.00 0.00 66.00 65.56 1wpi h PRO 67 Cb 0.37 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.50 1wpi h PRO 67 CO 0.01 -0.10 0.64 -0.24 -0.23 0.00 0.00 178.00 178.08 1wpi h VAL 68 N -0.52 0.48 -0.52 1.56 3.04 -1.80 0.35 116.25 118.84 1wpi h VAL 68 Ca -0.02 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.73 1wpi h VAL 68 Cb 0.12 0.54 -0.05 0.00 -2.01 0.00 0.00 31.29 29.89 1wpi h VAL 68 CO 0.03 0.00 0.24 0.28 -1.01 0.00 0.00 177.57 177.11 1wpi h SER 69 N 0.00 0.32 0.24 3.17 0.02 -0.86 0.58 113.55 117.03 1wpi h SER 69 Ca 0.39 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.37 1wpi h SER 69 Cb 1.68 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.20 1wpi h SER 69 CO -0.00 0.22 -0.12 -0.07 -1.14 0.00 0.00 176.83 175.72 1wpi h LEU 70 N 0.47 -0.27 -0.97 5.07 -0.00 -0.33 0.13 115.31 119.40 1wpi h LEU 70 Ca 0.23 -0.25 0.22 0.00 -0.00 0.00 0.00 57.88 58.08 1wpi h LEU 70 Cb 0.18 0.07 -0.12 0.00 -0.00 0.00 0.00 40.66 40.79 1wpi h LEU 70 CO -0.19 0.17 0.55 1.56 -0.00 0.00 0.00 178.44 180.53 1wpi h GLN 71 N -0.79 0.58 0.00 1.13 4.20 -1.15 1.10 115.11 120.18 1wpi h GLN 71 Ca -0.03 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1wpi h GLN 71 Cb 0.51 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1wpi h GLN 71 CO 0.05 0.39 0.00 0.00 -0.67 0.00 0.00 178.83 178.60 1wpi h ARG 72 N 0.60 0.00 -0.13 1.46 2.47 0.23 -3.16 114.38 115.85 1wpi h ARG 72 Ca 0.60 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 59.27 1wpi h ARG 72 Cb 1.05 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.36 1wpi h ARG 72 CO -0.45 0.00 -0.14 0.37 0.56 0.00 0.00 179.97 180.31 1wpi h GLN 73 N 0.00 0.20 -7.21 0.04 -0.00 0.41 -3.43 115.11 105.12 1wpi h GLN 73 Ca 0.00 -0.05 -0.49 0.00 -0.00 0.00 0.00 58.65 58.12 1wpi h GLN 73 Cb 0.92 -0.03 0.06 0.00 0.00 0.00 0.00 27.48 28.43 1wpi h GLN 73 CO 0.00 0.35 0.26 -1.50 0.00 0.00 0.00 178.83 177.94 1wpi s ILE 74 N -4.71 3.97 0.04 2.39 2.07 -0.97 -4.84 121.20 119.13 1wpi s ILE 74 Ca -0.05 0.28 -0.18 0.00 -1.41 0.00 0.00 60.65 59.29 1wpi s ILE 74 Cb 0.15 -3.59 -0.21 0.00 0.13 0.00 0.00 42.46 38.94 1wpi s ILE 74 CO 0.73 -0.67 1.17 1.55 -1.91 0.00 0.00 174.94 175.81 1wpi h PRO 75 N -0.25 0.53 -3.42 3.50 0.13 -1.86 -3.34 132.00 127.28 1wpi h PRO 75 Ca -0.45 -0.52 -0.74 0.00 -0.87 0.00 0.00 66.00 63.42 1wpi h PRO 75 Cb 1.24 0.13 -0.11 0.00 0.13 0.00 0.00 31.00 32.39 1wpi h PRO 75 CO 0.62 1.15 2.46 1.63 -0.23 0.00 0.00 178.00 183.63 1wpi n LYS 76 N -4.13 3.62 0.10 0.86 4.76 -1.26 -4.74 118.16 117.37 1wpi n LYS 76 Ca -0.10 -3.22 -0.04 0.00 -2.87 0.00 0.00 58.31 52.08 1wpi n LYS 76 Cb 0.70 -2.94 -0.02 0.00 -1.84 0.00 0.00 35.03 30.93 1wpi n LYS 76 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1wpi h LEU 77 N 7.88 -0.21 -1.67 -0.35 5.85 -1.75 0.13 115.31 125.18 1wpi h LEU 77 Ca 0.52 0.01 0.42 0.00 0.84 0.00 0.00 57.88 59.66 1wpi h LEU 77 Cb 0.55 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 1wpi h LEU 77 CO 1.67 -0.14 1.21 -2.24 -0.34 0.00 0.00 178.44 178.60 1wpi h ASP 78 N -0.27 0.00 0.18 1.25 2.03 -1.89 12.51 116.42 130.24 1wpi h ASP 78 Ca -0.03 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.27 1wpi h ASP 78 Cb 0.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.69 1wpi h ASP 78 CO 0.04 0.00 -0.09 0.28 -1.03 0.00 0.00 179.24 178.44 1wpi h SER 79 N 0.00 -0.21 0.94 4.15 0.02 -1.79 -3.19 113.55 113.47 1wpi h SER 79 Ca 0.68 0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 61.43 1wpi h SER 79 Cb 3.09 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 65.66 1wpi h SER 79 CO -0.01 0.05 -1.01 1.62 -1.14 0.00 0.00 176.83 176.35 1wpi h VAL 80 N -0.64 1.69 0.00 2.27 3.04 0.22 0.94 116.25 123.76 1wpi h VAL 80 Ca -0.02 -3.33 0.00 0.00 -1.01 0.00 0.00 66.70 62.33 1wpi h VAL 80 Cb 0.19 2.82 0.00 0.00 -2.01 0.00 0.00 31.29 32.29 1wpi h VAL 80 CO 0.04 0.95 0.00 -0.11 -1.01 0.00 0.00 177.57 177.44 1wpi n LEU 81 N -3.39 0.00 0.00 3.16 7.94 3.89 -4.32 117.00 124.28 1wpi n LEU 81 Ca -0.01 0.46 0.00 0.00 -1.11 0.00 0.00 56.01 55.35 1wpi n LEU 81 Cb 0.93 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 44.43 1wpi n LEU 81 CO 0.47 -0.44 0.00 0.29 -1.11 0.00 0.00 177.39 176.60 1wpi n LYS 82 N -1.46 0.00 0.00 1.96 4.01 -1.15 -4.91 118.16 116.61 1wpi n LYS 82 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1wpi n LYS 82 Cb 0.01 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.53 1wpi n LYS 82 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 1wpi n TYR 83 N 0.00 0.00 0.00 2.13 9.36 -0.96 -4.93 117.16 122.76 1wpi n TYR 83 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1wpi n TYR 83 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1wpi n TYR 83 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1wpi n LYS 84 N 0.00 1.85 -0.17 2.98 0.00 0.32 -2.90 118.16 120.24 1wpi n LYS 84 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 58.31 58.46 1wpi n LYS 84 Cb 0.10 0.00 0.23 0.00 0.00 0.00 0.00 35.03 35.36 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 -0.10 5.64 8.25 -1.23 0.24 115.22 128.02 1wpi n HIS 85 Ca 0.00 0.00 0.26 0.00 -0.26 0.00 0.00 57.72 57.72 1wpi n HIS 85 Cb 0.00 -0.14 0.65 0.00 1.12 0.00 0.00 29.99 31.62 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 0.24 0.00 1.59 1.03 -1.65 -3.28 112.91 110.84 1wpi h THR 86 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.67 1wpi h THR 86 Cb 1.28 0.38 0.00 0.00 -1.07 0.00 0.00 68.15 68.74 1wpi h THR 86 CO -0.00 0.00 0.00 -0.67 -0.01 0.00 0.00 175.52 174.84 1wpi n ASP 87 N -3.64 0.00 -0.48 0.00 2.03 0.66 -4.05 116.55 111.07 1wpi n ASP 87 Ca 0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1wpi n ASP 87 Cb 1.06 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.46 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 0.01 -0.67 -0.04 -1.26 -3.00 135.00 130.79 1wpi n PRO 88 Ca 0.00 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.26 1wpi n PRO 88 Cb 0.00 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 31.96 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 0.00 1.37 0.00 0.52 1.03 -1.76 -3.38 112.91 110.69 1wpi h THR 89 Ca 0.00 -2.44 0.00 0.00 -0.01 0.00 0.00 66.41 63.96 1wpi h THR 89 Cb 0.36 3.02 0.00 0.00 -1.07 0.00 0.00 68.15 70.46 1wpi h THR 89 CO 0.00 0.67 -1.41 0.49 -0.01 0.00 0.00 175.52 175.26 1wpi n PHE 90 N -4.16 0.00 0.00 0.00 3.72 -1.21 -4.34 117.46 111.47 1wpi n PHE 90 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 1wpi n PHE 90 Cb 0.78 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 1wpi n PHE 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wpi n GLY 91 N 1.57 -1.46 0.00 1.37 0.00 -1.16 -2.11 105.19 103.40 1wpi n GLY 91 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.33 0.00 -3.59 1.61 -0.00 -1.26 -2.11 117.12 111.45 1wpi n MET 92 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.70 57.30 1wpi n MET 92 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 33.22 33.12 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 5.66 0.12 3.17 1.01 -1.26 -3.55 116.67 121.82 1wpi s ASP 93 Ca 0.00 -1.54 -0.02 0.00 0.71 0.00 0.00 52.55 51.70 1wpi s ASP 93 Cb 0.00 -2.00 -0.15 0.00 1.01 0.00 0.00 42.92 41.79 1wpi s ASP 93 CO 0.00 -0.56 1.26 0.25 0.21 0.00 0.00 175.17 176.33 1wpi h LEU 94 N 8.42 0.39 -0.95 1.23 5.85 -0.87 -3.25 115.31 126.14 1wpi h LEU 94 Ca -0.23 -0.36 0.29 0.00 0.84 0.00 0.00 57.88 58.42 1wpi h LEU 94 Cb 1.08 -0.12 -0.15 0.00 0.37 0.00 0.00 40.66 41.84 1wpi h LEU 94 CO 0.77 1.21 0.39 -0.61 -0.34 0.00 0.00 178.44 179.85 1wpi h GLN 95 N 0.13 0.22 -1.15 1.25 4.15 -1.85 1.49 115.11 119.34 1wpi h GLN 95 Ca -0.09 -0.01 0.32 0.00 0.77 0.00 0.00 58.65 59.64 1wpi h GLN 95 Cb 1.72 -0.05 -0.09 0.00 0.21 0.00 0.00 27.48 29.27 1wpi h GLN 95 CO 0.17 0.15 0.76 0.87 -1.93 0.00 0.00 178.83 178.85 1wpi h LYS 96 N 0.23 0.23 0.00 1.69 1.79 -1.89 2.09 116.57 120.71 1wpi h LYS 96 Ca 0.66 -0.01 -0.17 0.00 -2.18 0.00 0.00 60.65 58.95 1wpi h LYS 96 Cb 1.45 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 32.02 1wpi h LYS 96 CO -0.66 0.15 -1.37 0.00 -1.08 0.00 0.00 179.45 176.48 1wpi h VAL 98 N 0.00 0.60 0.00 0.00 2.07 0.46 -1.05 116.25 118.33 1wpi h VAL 98 Ca -0.16 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.05 1wpi h VAL 98 Cb 1.58 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 1wpi h VAL 98 CO 0.05 0.26 0.21 0.00 0.02 0.00 0.00 177.57 178.11 1wpi n GLN 99 N -3.37 0.02 0.00 1.57 6.02 0.50 -4.54 117.38 117.59 1wpi n GLN 99 Ca 0.01 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 1wpi n GLN 99 Cb 0.48 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.97 1wpi n GLN 99 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1wpi n ARG 100 N -1.45 0.00 0.00 -1.09 0.00 -1.10 -5.10 116.66 107.92 1wpi n ARG 100 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1wpi n ARG 100 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.68 1wpi n ARG 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wpi n GLY 101 N 0.00 -2.21 0.00 5.14 0.00 -0.42 -4.56 105.19 103.15 1wpi n GLY 101 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.76 0.99 0.00 -1.22 -4.74 117.00 108.27 1wpi n LEU 102 Ca 0.00 0.17 -0.12 0.00 0.00 0.00 0.00 56.01 56.07 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 0.02 0.86 0.00 0.00 0.00 177.39 178.27 1wpi s TRP 103 N -0.64 -0.10 -0.56 1.96 -0.11 -1.26 -5.11 118.94 113.11 1wpi s TRP 103 Ca 0.00 -0.03 -0.26 0.00 1.22 0.00 0.00 56.10 57.03 1wpi s TRP 103 Cb 0.00 0.09 0.03 0.00 -1.50 0.00 0.00 33.47 32.10 1wpi s TRP 103 CO 0.00 -0.50 1.07 -0.80 -4.62 0.00 0.00 176.95 172.10 1wpi s ASN 104 N -2.03 6.41 0.00 5.86 -0.87 -1.26 -4.70 114.94 118.35 1wpi s ASN 104 Ca -0.05 -0.08 0.16 0.00 -1.57 0.00 0.00 52.86 51.32 1wpi s ASN 104 Cb -0.01 -2.50 0.94 0.00 -0.02 0.00 0.00 41.25 39.67 1wpi s ASN 104 CO -0.03 -1.34 1.44 -0.81 -2.57 0.00 0.00 177.10 173.79 1wpi n PRO 105 N 7.94 0.75 -0.66 -0.60 -0.04 -1.24 -4.84 135.00 136.30 1wpi n PRO 105 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1wpi n PRO 105 Cb 0.48 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 1wpi n PRO 105 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1wpi n LYS 106 N -0.83 -0.19 -4.08 0.54 0.00 -1.04 -4.70 118.16 107.87 1wpi n LYS 106 Ca 0.12 -0.09 -0.10 0.00 -0.00 0.00 0.00 58.31 58.24 1wpi n LYS 106 Cb 0.05 0.16 -0.11 0.00 -0.00 0.00 0.00 35.03 35.14 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 -0.88 0.58 -0.14 -1.58 0.41 0.31 -4.75 118.70 112.66 1wpi s GLU 107 Ca 0.00 -1.02 0.01 0.00 -0.41 0.00 0.00 54.97 53.55 1wpi s GLU 107 Cb 0.00 -0.02 -0.01 0.00 -1.78 0.00 0.00 34.13 32.33 1wpi s GLU 107 CO 0.00 -0.04 -0.16 0.00 -0.49 0.00 0.00 175.26 174.57 1wpi s ALA 108 N -2.77 2.50 -0.22 5.21 0.00 -1.26 -3.21 121.76 122.00 1wpi s ALA 108 Ca -0.00 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 50.92 1wpi s ALA 108 Cb -0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 1wpi s ALA 108 CO -0.05 0.13 0.05 -0.51 0.00 0.00 0.00 175.76 175.38 1wpi s LEU 109 N 0.56 3.51 -0.13 0.00 1.43 -1.01 -0.02 118.68 123.02 1wpi s LEU 109 Ca -0.10 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1wpi s LEU 109 Cb -0.16 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.17 1wpi s LEU 109 CO 0.04 0.05 -0.14 -1.66 0.23 0.00 0.00 176.35 174.87 1wpi s TRP 110 N 1.08 2.07 -0.09 0.29 1.48 -1.14 0.14 118.94 122.77 1wpi s TRP 110 Ca 0.04 -1.09 -0.04 0.00 -1.06 0.00 0.00 56.10 53.95 1wpi s TRP 110 Cb -0.14 -1.52 0.04 0.00 -1.16 0.00 0.00 33.47 30.69 1wpi s TRP 110 CO 0.03 -0.59 0.20 0.14 -4.06 0.00 0.00 176.95 172.67 1wpi s VAL 111 N 1.30 -0.04 -0.03 -0.66 -7.23 0.47 -1.72 120.40 112.49 1wpi s VAL 111 Ca 0.00 0.15 0.07 0.00 -1.81 0.00 0.00 61.98 60.40 1wpi s VAL 111 Cb -0.14 -0.32 -0.02 0.00 0.56 0.00 0.00 36.38 36.47 1wpi s VAL 111 CO -0.07 0.06 -0.24 -1.81 -0.31 0.00 0.00 175.10 172.73 1wpi s ASP 112 N 1.16 2.82 -0.07 4.85 1.11 0.49 0.72 116.67 127.75 1wpi s ASP 112 Ca -0.09 -0.44 -0.07 0.00 0.18 0.00 0.00 52.55 52.13 1wpi s ASP 112 Cb -0.10 -0.42 -0.02 0.00 1.07 0.00 0.00 42.92 43.45 1wpi s ASP 112 CO -0.07 0.28 -0.14 1.87 1.18 0.00 0.00 175.17 178.29 1wpi n TRP 113 N 2.60 0.00 0.00 4.23 -0.00 -1.24 -2.94 117.44 120.09 1wpi n TRP 113 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.34 1wpi n TRP 113 Cb 0.52 -0.20 0.00 0.00 -0.00 0.00 0.00 31.31 31.63 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 -3.32 0.00 -0.00 5.87 2.13 -1.26 0.18 120.64 124.24 1wpi n GLU 114 Ca -0.06 0.23 0.09 0.00 0.66 0.00 0.00 57.16 58.08 1wpi n GLU 114 Cb 0.21 -1.53 -0.11 0.00 0.27 0.00 0.00 31.44 30.27 1wpi n GLU 114 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1wpi n ASN 115 N -1.20 0.83 -1.99 4.31 5.03 -1.26 -4.01 115.26 116.97 1wpi n ASN 115 Ca 0.00 -0.60 -0.20 0.00 0.87 0.00 0.00 54.58 54.65 1wpi n ASN 115 Cb 0.03 1.29 -0.05 0.00 -1.02 0.00 0.00 39.78 40.03 1wpi n ASN 115 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1wpi n LYS 116 N -1.66 -1.60 -4.29 3.52 2.85 0.49 -4.52 118.16 112.95 1wpi n LYS 116 Ca 0.01 1.06 -0.18 0.00 -1.05 0.00 0.00 58.31 58.16 1wpi n LYS 116 Cb 0.34 -5.58 -0.14 0.00 -0.65 0.00 0.00 35.03 29.01 1wpi n LYS 116 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1wpi s LEU 117 N -5.30 2.07 0.14 -5.58 0.05 -1.15 -5.03 118.68 103.87 1wpi s LEU 117 Ca 0.00 -0.24 -0.07 0.00 0.05 0.00 0.00 54.13 53.87 1wpi s LEU 117 Cb 0.00 -0.41 -0.01 0.00 -2.05 0.00 0.00 46.19 43.71 1wpi s LEU 117 CO 0.00 0.05 0.21 -0.69 -0.55 0.00 0.00 176.35 175.38 1wpi s VAL 118 N -0.43 0.09 0.00 1.48 1.01 -1.26 -0.38 120.40 120.91 1wpi s VAL 118 Ca 0.01 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.55 1wpi s VAL 118 Cb -0.05 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.59 1wpi s VAL 118 CO 0.00 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.28 1wpi n GLY 119 N -0.15 2.75 3.94 4.51 0.00 -0.70 -4.97 105.19 110.57 1wpi n GLY 119 Ca -0.09 0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 4.41 0.00 1.61 4.22 -1.26 -2.91 114.94 121.02 1wpi s ASN 120 Ca 0.00 0.31 0.00 0.00 -2.14 0.00 0.00 52.86 51.03 1wpi s ASN 120 Cb 0.00 -0.80 0.00 0.00 1.28 0.00 0.00 41.25 41.73 1wpi s ASN 120 CO 0.00 -1.86 0.00 1.21 -2.04 0.00 0.00 177.10 174.41 1wpi n GLU 121 N -3.08 0.00 0.00 3.55 0.00 0.98 -4.35 120.64 117.74 1wpi n GLU 121 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 57.09 1wpi n GLU 121 Cb 0.60 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.94 1wpi n GLU 121 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 1wpi h PRO 122 N 0.00 0.56 0.00 5.31 0.13 -1.93 -3.13 132.00 132.93 1wpi h PRO 122 Ca 0.00 -0.54 -0.03 0.00 -0.87 0.00 0.00 66.00 64.55 1wpi h PRO 122 Cb 0.00 0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.27 1wpi h PRO 122 CO 0.00 1.17 -0.16 0.00 -0.23 0.00 0.00 178.00 178.77 1wpi h ALA 123 N 0.40 1.62 -0.58 -0.56 0.00 -1.92 -2.11 119.26 116.12 1wpi h ALA 123 Ca -0.08 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1wpi h ALA 123 Cb 1.39 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 1wpi h ALA 123 CO 0.14 0.21 0.29 0.22 0.00 0.00 0.00 179.25 180.11 1wpi h ASP 124 N 0.00 0.41 -0.33 0.00 1.82 -1.74 -2.04 116.42 114.53 1wpi h ASP 124 Ca -0.00 0.04 0.07 0.00 -0.39 0.00 0.00 57.03 56.75 1wpi h ASP 124 Cb 0.31 -0.04 -0.08 0.00 0.68 0.00 0.00 39.33 40.20 1wpi h ASP 124 CO 0.02 0.27 -0.33 0.40 -1.61 0.00 0.00 179.24 177.99 1wpi h ILE 125 N 0.55 0.24 -0.70 2.25 2.04 -1.43 0.50 117.51 120.95 1wpi h ILE 125 Ca 0.26 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.26 1wpi h ILE 125 Cb 0.19 0.24 -0.13 0.00 -0.74 0.00 0.00 36.82 36.37 1wpi h ILE 125 CO -0.19 0.00 -0.25 -0.78 0.00 0.00 0.00 178.15 176.93 1wpi h ASP 126 N -0.29 -0.91 -0.14 1.72 3.58 -1.44 1.32 116.42 120.25 1wpi h ASP 126 Ca 0.15 0.23 0.05 0.00 0.42 0.00 0.00 57.03 57.88 1wpi h ASP 126 Cb 0.54 0.52 -0.06 0.00 1.72 0.00 0.00 39.33 42.06 1wpi h ASP 126 CO -0.50 -0.27 -0.22 0.11 -2.88 0.00 0.00 179.24 175.49 1wpi h LYS 127 N -0.06 -0.26 0.00 0.28 6.56 -0.69 -3.27 116.57 119.13 1wpi h LYS 127 Ca 0.31 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.92 1wpi h LYS 127 Cb 0.55 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.27 1wpi h LYS 127 CO -0.75 -0.17 0.00 0.66 -2.06 0.00 0.00 179.45 177.13 1wpi n TYR 128 N -5.35 0.00 -3.88 -1.35 4.02 0.76 -4.33 117.16 107.01 1wpi n TYR 128 Ca -0.03 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.55 1wpi n TYR 128 Cb 0.27 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.46 1wpi n TYR 128 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 1wpi s ILE 129 N 0.00 2.93 0.00 -0.72 -0.00 0.42 -3.53 121.20 120.31 1wpi s ILE 129 Ca 0.00 -3.49 0.00 0.00 -0.00 0.00 0.00 60.65 57.16 1wpi s ILE 129 Cb 0.00 -2.97 0.00 0.00 -0.00 0.00 0.00 42.46 39.49 1wpi s ILE 129 CO 0.00 -0.87 0.00 2.30 -0.00 0.00 0.00 174.94 176.37 1wpi n ILE 130 N 2.89 0.00 0.23 8.37 -0.00 -0.10 -4.28 119.36 126.47 1wpi n ILE 130 Ca 0.09 0.00 0.04 0.00 -0.00 0.00 0.00 62.75 62.88 1wpi n ILE 130 Cb 0.34 0.00 0.19 0.00 -0.00 0.00 0.00 39.64 40.17 1wpi n ILE 130 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 1wpi h GLN 131 N 0.00 0.00 0.00 6.28 7.50 -1.80 -3.40 115.11 123.69 1wpi h GLN 131 Ca 0.00 0.00 -0.47 0.00 0.50 0.00 0.00 58.65 58.68 1wpi h GLN 131 Cb 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 27.48 27.41 1wpi h GLN 131 CO 0.00 0.00 -0.45 2.89 -1.50 0.00 0.00 178.83 179.77 1wpi n ARG 132 N -2.14 0.43 -0.92 1.46 -4.01 -1.26 -4.59 116.66 105.63 1wpi n ARG 132 Ca -0.00 -3.23 0.00 0.00 -1.04 0.00 0.00 57.85 53.57 1wpi n ARG 132 Cb 0.66 2.47 0.00 0.00 -3.04 0.00 0.00 32.46 32.54 1wpi n ARG 132 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76