#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 3.57 -0.48 7.83 0.01 -1.26 -4.99 113.70 118.38 1wpi s SER 2 Ca 0.00 -2.00 0.06 0.00 1.31 0.00 0.00 55.95 55.32 1wpi s SER 2 Cb 0.00 -0.71 0.25 0.00 0.21 0.00 0.00 66.02 65.77 1wpi s SER 2 CO 0.00 -0.35 0.87 2.22 0.41 0.00 0.00 173.24 176.39 1wpi n PHE 3 N 4.34 -3.03 0.10 2.43 -1.74 -1.26 -4.93 117.46 113.37 1wpi n PHE 3 Ca 0.04 -1.96 -0.22 0.00 -0.56 0.00 0.00 57.45 54.75 1wpi n PHE 3 Cb 0.39 1.39 -0.14 0.00 1.52 0.00 0.00 39.48 42.63 1wpi n PHE 3 CO 0.00 0.00 0.00 -1.49 -0.56 0.00 0.00 176.76 174.71 1wpi h TRP 4 N 3.92 0.91 -0.03 2.97 4.06 -1.94 -3.33 115.95 122.50 1wpi h TRP 4 Ca -0.12 -0.61 -0.06 0.00 2.06 0.00 0.00 58.89 60.16 1wpi h TRP 4 Cb 1.02 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 29.13 1wpi h TRP 4 CO 0.07 1.46 -0.21 0.87 -3.56 0.00 0.00 178.44 177.07 1wpi h LYS 5 N 0.10 0.20 0.00 0.49 1.79 -1.84 -3.46 116.57 113.85 1wpi h LYS 5 Ca -0.20 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 1wpi h LYS 5 Cb 1.91 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.60 1wpi h LYS 5 CO 0.23 0.84 0.00 2.41 -1.08 0.00 0.00 179.45 181.85 1wpi n THR 6 N -4.55 0.00 0.14 -0.16 -1.04 -1.23 -4.09 114.28 103.36 1wpi n THR 6 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1wpi n THR 6 Cb 0.45 -1.36 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 1wpi n THR 6 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1wpi n LEU 7 N 0.00 -0.72 -4.40 -4.42 4.32 -1.26 -4.86 117.00 105.66 1wpi n LEU 7 Ca 0.00 0.49 -0.33 0.00 -0.02 0.00 0.00 56.01 56.15 1wpi n LEU 7 Cb 0.00 0.86 -0.14 0.00 -1.62 0.00 0.00 43.42 42.52 1wpi n LEU 7 CO 0.00 -0.61 -0.42 -1.58 -1.22 0.00 0.00 177.39 173.56 1wpi s GLN 8 N -1.85 3.45 0.58 3.23 0.74 -1.26 -4.94 119.66 119.61 1wpi s GLN 8 Ca 0.00 -0.64 0.00 0.00 0.05 0.00 0.00 55.36 54.77 1wpi s GLN 8 Cb 0.00 -2.71 0.00 0.00 1.10 0.00 0.00 33.01 31.40 1wpi s GLN 8 CO 0.00 0.21 0.00 -2.13 -0.55 0.00 0.00 175.29 172.82 1wpi n ARG 9 N 3.55 -4.35 -2.76 1.67 0.63 -1.26 -4.79 116.66 109.34 1wpi n ARG 9 Ca -0.18 3.33 -0.42 0.00 -0.92 0.00 0.00 57.85 59.67 1wpi n ARG 9 Cb 0.53 -4.05 -0.03 0.00 0.45 0.00 0.00 32.46 29.36 1wpi n ARG 9 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1wpi s GLN 10 N -4.87 4.45 0.01 -0.14 -1.52 -1.26 -4.96 119.66 111.38 1wpi s GLN 10 Ca 0.00 1.29 -0.30 0.00 -1.95 0.00 0.00 55.36 54.40 1wpi s GLN 10 Cb 0.00 -3.51 -0.04 0.00 -0.22 0.00 0.00 33.01 29.24 1wpi s GLN 10 CO 0.00 -0.18 1.19 -1.25 -0.25 0.00 0.00 175.29 174.80 1wpi s PRO 11 N 1.54 4.40 0.00 2.91 0.04 -1.26 -4.63 135.00 138.01 1wpi s PRO 11 Ca 0.47 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1wpi s PRO 11 Cb -0.19 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1wpi s PRO 11 CO 0.21 -0.34 0.00 0.54 0.04 0.00 0.00 177.00 177.45 1wpi n ARG 12 N 4.52 0.00 -3.21 4.56 5.12 -1.26 -4.96 116.66 121.43 1wpi n ARG 12 Ca 0.10 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.61 1wpi n ARG 12 Cb 0.46 -0.26 -0.07 0.00 -1.16 0.00 0.00 32.46 31.43 1wpi n ARG 12 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1wpi s THR 13 N -0.77 5.03 -0.38 0.55 2.01 -1.26 -4.32 115.64 116.49 1wpi s THR 13 Ca 0.00 0.77 -0.17 0.00 0.31 0.00 0.00 61.69 62.60 1wpi s THR 13 Cb 0.00 -3.89 0.01 0.00 0.01 0.00 0.00 72.50 68.62 1wpi s THR 13 CO 0.00 -0.02 0.45 -0.63 -0.69 0.00 0.00 174.62 173.73 1wpi s ILE 14 N 2.39 5.07 -0.58 1.82 -1.09 -1.16 -3.91 121.20 123.74 1wpi s ILE 14 Ca 0.22 -0.04 -0.16 0.00 -2.23 0.00 0.00 60.65 58.44 1wpi s ILE 14 Cb -0.15 -3.98 0.14 0.00 -1.58 0.00 0.00 42.46 36.89 1wpi s ILE 14 CO 0.11 -0.30 0.57 -0.55 -1.23 0.00 0.00 174.94 173.53 1wpi s SER 15 N 1.79 6.26 -0.15 3.58 0.15 -0.80 -1.38 113.70 123.15 1wpi s SER 15 Ca 0.14 -1.85 -0.05 0.00 0.70 0.00 0.00 55.95 54.90 1wpi s SER 15 Cb -0.16 -2.23 -0.03 0.00 -1.71 0.00 0.00 66.02 61.89 1wpi s SER 15 CO 0.13 -0.87 -0.00 -0.22 1.20 0.00 0.00 173.24 173.49 1wpi s LEU 16 N 1.60 3.48 0.08 3.45 1.98 0.12 -1.32 118.68 128.07 1wpi s LEU 16 Ca 0.06 -0.02 0.02 0.00 -2.89 0.00 0.00 54.13 51.30 1wpi s LEU 16 Cb -0.27 -1.85 -0.04 0.00 0.66 0.00 0.00 46.19 44.70 1wpi s LEU 16 CO 0.02 0.20 0.12 -0.36 -1.89 0.00 0.00 176.35 174.44 1wpi s PHE 17 N 0.20 3.29 -0.11 5.38 0.40 0.78 -1.46 117.98 126.45 1wpi s PHE 17 Ca 0.00 0.13 -0.05 0.00 -0.60 0.00 0.00 56.93 56.41 1wpi s PHE 17 Cb -0.13 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.70 1wpi s PHE 17 CO 0.02 0.54 0.06 0.99 0.70 0.00 0.00 175.22 177.53 1wpi s THR 18 N -1.44 4.85 -0.26 0.64 2.01 0.31 -2.82 115.64 118.93 1wpi s THR 18 Ca 0.31 -0.04 0.20 0.00 0.31 0.00 0.00 61.69 62.47 1wpi s THR 18 Cb -0.12 -3.09 0.50 0.00 0.01 0.00 0.00 72.50 69.79 1wpi s THR 18 CO 0.24 0.59 1.13 -3.20 -0.69 0.00 0.00 174.62 172.68 1wpi n ASN 19 N 2.31 2.22 -1.32 3.53 2.85 -1.16 -3.79 115.26 119.90 1wpi n ASN 19 Ca -0.19 -2.36 0.15 0.00 -0.11 0.00 0.00 54.58 52.07 1wpi n ASN 19 Cb 0.54 -0.45 -0.08 0.00 1.24 0.00 0.00 39.78 41.03 1wpi n ASN 19 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1wpi n ASP 20 N -0.61 -6.82 0.00 1.20 -0.08 -1.22 -2.17 116.55 106.85 1wpi n ASP 20 Ca 0.14 1.22 0.00 0.00 -1.51 0.00 0.00 54.79 54.64 1wpi n ASP 20 Cb 0.84 -4.49 0.00 0.00 2.34 0.00 0.00 41.12 39.80 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 -4.15 0.00 0.00 5.18 -0.00 -1.26 -2.43 119.36 116.70 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 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.24 1wpi n ILE 21 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1wpi n ALA 22 N -1.76 0.00 -1.00 -1.39 0.00 -1.26 -4.68 120.51 110.42 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 -4.54 0.00 7.64 -1.26 -3.77 113.62 111.69 1wpi n SER 23 Ca 0.00 0.05 -0.42 0.00 1.01 0.00 0.00 58.87 59.51 1wpi n SER 23 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 -2.99 6.27 0.29 6.43 0.01 -1.26 -4.87 114.94 118.82 1wpi s ASN 24 Ca 0.00 -0.37 0.03 0.00 -0.71 0.00 0.00 52.86 51.81 1wpi s ASN 24 Cb 0.00 -2.51 0.69 0.00 0.41 0.00 0.00 41.25 39.83 1wpi s ASN 24 CO 0.00 -1.57 1.72 0.40 -1.51 0.00 0.00 177.10 176.14 1wpi h ILE 25 N 6.05 0.56 0.00 0.60 5.03 -1.95 2.48 117.51 130.28 1wpi h ILE 25 Ca -0.27 -0.17 -0.00 0.00 -0.12 0.00 0.00 64.86 64.30 1wpi h ILE 25 Cb 1.06 0.03 -0.00 0.00 -3.03 0.00 0.00 36.82 34.88 1wpi h ILE 25 CO 1.21 0.09 -0.03 0.07 -0.68 0.00 0.00 178.15 178.80 1wpi h LYS 26 N 0.49 0.00 0.06 2.37 -0.00 -1.93 -3.08 116.57 114.48 1wpi h LYS 26 Ca 0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 61.19 1wpi h LYS 26 Cb 0.96 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.19 1wpi h LYS 26 CO -0.47 0.31 -0.04 1.03 -0.00 0.00 0.00 179.45 180.27 1wpi h SER 27 N -1.00 -0.12 -1.68 7.07 0.87 -1.83 -2.01 113.55 114.85 1wpi h SER 27 Ca -0.00 0.01 0.51 0.00 -1.23 0.00 0.00 61.79 61.08 1wpi h SER 27 Cb 0.32 0.04 -0.10 0.00 -0.44 0.00 0.00 62.40 62.22 1wpi h SER 27 CO -0.00 -0.07 1.17 -0.61 -0.53 0.00 0.00 176.83 176.80 1wpi h GLN 28 N -0.10 0.02 0.00 2.24 5.75 0.40 0.77 115.11 124.19 1wpi h GLN 28 Ca -0.01 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1wpi h GLN 28 Cb 0.08 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.63 1wpi h GLN 28 CO 0.00 0.01 0.00 1.17 -2.65 0.00 0.00 178.83 177.37 1wpi n LYS 29 N -4.25 0.00 -0.09 1.69 0.00 -0.76 -3.61 118.16 111.14 1wpi n LYS 29 Ca 0.41 0.01 -0.23 0.00 0.00 0.00 0.00 58.31 58.50 1wpi n LYS 29 Cb 1.77 -0.53 -0.12 0.00 0.00 0.00 0.00 35.03 36.15 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 -3.92 0.24 0.06 0.00 7.99 0.25 0.23 117.00 121.86 1wpi n LEU 31 Ca -0.40 1.33 -0.21 0.00 -0.01 0.00 0.00 56.01 56.71 1wpi n LEU 31 Cb 0.89 -0.63 -0.15 0.00 -0.11 0.00 0.00 43.42 43.42 1wpi n LEU 31 CO 0.23 -1.47 -0.17 1.56 -1.51 0.00 0.00 177.39 176.03 1wpi h GLN 32 N 0.00 0.33 -0.78 3.23 1.08 -1.14 -1.66 115.11 116.18 1wpi h GLN 32 Ca 0.66 -0.57 0.09 0.00 -1.45 0.00 0.00 58.65 57.38 1wpi h GLN 32 Cb 1.72 0.21 -0.07 0.00 -0.05 0.00 0.00 27.48 29.29 1wpi h GLN 32 CO -0.63 1.27 0.42 1.25 -0.95 0.00 0.00 178.83 180.20 1wpi h LEU 33 N -0.23 0.59 0.00 1.46 6.46 0.29 0.28 115.31 124.15 1wpi h LEU 33 Ca -0.22 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1wpi h LEU 33 Cb 1.80 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.67 1wpi h LEU 33 CO 0.15 0.33 -0.08 -0.07 -0.62 0.00 0.00 178.44 178.15 1wpi h LEU 34 N 0.71 0.00 -0.52 2.25 4.07 0.12 -3.13 115.31 118.81 1wpi h LEU 34 Ca 0.38 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.33 1wpi h LEU 34 Cb 0.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1wpi h LEU 34 CO -0.25 0.00 0.04 1.17 -1.08 0.00 0.00 178.44 178.32 1wpi n LYS 35 N -2.76 0.05 -0.11 1.13 4.81 0.98 -1.62 118.16 120.64 1wpi n LYS 35 Ca 0.04 0.53 -0.08 0.00 -0.87 0.00 0.00 58.31 57.93 1wpi n LYS 35 Cb 0.49 -1.70 -0.00 0.00 0.02 0.00 0.00 35.03 33.84 1wpi n LYS 35 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1wpi h GLY 36 N 0.00 0.51 -0.11 3.14 0.00 -1.49 -3.47 103.07 101.65 1wpi h GLY 36 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1wpi h GLY 36 CO 0.00 0.17 -0.00 1.22 0.00 0.00 0.00 176.54 177.93 1wpi n ASP 37 N -4.85 -0.13 -3.66 0.19 8.00 -0.64 -5.10 116.55 110.36 1wpi n ASP 37 Ca 0.00 -1.15 -0.10 0.00 0.71 0.00 0.00 54.79 54.25 1wpi n ASP 37 Cb 0.03 0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 1wpi n ASP 37 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wpi s VAL 38 N -2.57 0.01 -2.51 2.53 0.11 -1.26 -4.81 120.40 111.89 1wpi s VAL 38 Ca 0.02 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 1wpi s VAL 38 Cb -0.00 -1.47 0.00 0.00 -1.53 0.00 0.00 36.38 33.38 1wpi s VAL 38 CO 0.02 -0.06 0.00 -1.20 -3.33 0.00 0.00 175.10 170.52 1wpi n SER 39 N -0.37 0.00 -3.71 3.54 7.64 -1.26 -4.89 113.62 114.57 1wpi n SER 39 Ca -0.11 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.56 1wpi n SER 39 Cb 0.63 0.00 -0.18 0.00 -1.01 0.00 0.00 64.21 63.65 1wpi n SER 39 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1wpi s HIS 40 N -3.00 0.29 0.00 1.43 3.76 -1.26 -4.89 115.29 111.62 1wpi s HIS 40 Ca 0.00 0.09 0.00 0.00 -0.15 0.00 0.00 55.06 55.00 1wpi s HIS 40 Cb 0.00 -0.60 0.00 0.00 1.11 0.00 0.00 32.58 33.09 1wpi s HIS 40 CO 0.00 -0.25 0.00 2.89 -0.85 0.00 0.00 174.74 176.53 1wpi n ARG 41 N 5.24 0.00 -3.80 1.40 0.00 -1.26 -5.00 116.66 113.24 1wpi n ARG 41 Ca -0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.71 1wpi n ARG 41 Cb 0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 32.46 32.90 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 -0.14 0.07 -0.17 2.89 -0.71 -1.26 -4.93 117.98 113.73 1wpi s PHE 42 Ca 0.00 -0.44 -0.02 0.00 -1.04 0.00 0.00 56.93 55.43 1wpi s PHE 42 Cb 0.00 0.09 -0.01 0.00 -1.21 0.00 0.00 43.02 41.89 1wpi s PHE 42 CO 0.00 -0.68 -0.09 -0.51 -1.34 0.00 0.00 175.22 172.60 1wpi s ASP 43 N -2.87 4.14 -0.10 1.98 1.01 -1.26 -4.88 116.67 114.69 1wpi s ASP 43 Ca 0.08 -0.36 -0.14 0.00 0.71 0.00 0.00 52.55 52.84 1wpi s ASP 43 Cb 0.03 -1.67 -0.05 0.00 1.01 0.00 0.00 42.92 42.24 1wpi s ASP 43 CO -0.08 0.08 0.35 -0.69 0.21 0.00 0.00 175.17 175.04 1wpi s VAL 44 N 0.87 5.22 -0.28 -1.27 1.01 -1.26 -2.98 120.40 121.70 1wpi s VAL 44 Ca -0.02 0.69 -0.07 0.00 0.00 0.00 0.00 61.98 62.58 1wpi s VAL 44 Cb -0.15 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 1wpi s VAL 44 CO 0.00 0.45 0.07 -0.70 0.00 0.00 0.00 175.10 174.93 1wpi s GLU 45 N -0.10 3.27 -0.39 2.72 -6.30 -0.48 -4.99 118.70 112.44 1wpi s GLU 45 Ca 0.20 -0.73 -0.07 0.00 -2.50 0.00 0.00 54.97 51.88 1wpi s GLU 45 Cb -0.14 -3.33 0.07 0.00 0.00 0.00 0.00 34.13 30.73 1wpi s GLU 45 CO 0.08 -0.35 0.19 0.42 0.02 0.00 0.00 175.26 175.62 1wpi s ILE 46 N 1.53 3.81 -0.03 -3.70 1.09 -1.25 0.15 121.20 122.80 1wpi s ILE 46 Ca 0.04 -1.47 -0.01 0.00 -1.10 0.00 0.00 60.65 58.10 1wpi s ILE 46 Cb -0.16 -3.34 0.02 0.00 -1.06 0.00 0.00 42.46 37.92 1wpi s ILE 46 CO 0.02 -0.43 0.06 0.00 -0.10 0.00 0.00 174.94 174.49 1wpi s ALA 47 N 1.35 -0.09 -0.27 9.38 0.00 -0.54 -4.95 121.76 126.64 1wpi s ALA 47 Ca 0.02 0.29 -0.15 0.00 0.00 0.00 0.00 51.96 52.12 1wpi s ALA 47 Cb -0.22 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1wpi s ALA 47 CO 0.01 -0.07 0.38 0.54 0.00 0.00 0.00 175.76 176.62 1wpi s ASN 48 N 0.56 6.26 0.01 0.00 2.20 -1.26 0.11 114.94 122.82 1wpi s ASN 48 Ca -0.04 0.29 -0.28 0.00 -0.94 0.00 0.00 52.86 51.88 1wpi s ASN 48 Cb -0.06 -2.22 0.09 0.00 -2.00 0.00 0.00 41.25 37.06 1wpi s ASN 48 CO -0.02 -0.20 0.75 -0.60 -2.94 0.00 0.00 177.10 174.09 1wpi s ARG 49 N 2.09 1.01 -0.01 3.55 6.06 -1.25 -4.69 118.95 125.70 1wpi s ARG 49 Ca 0.15 -0.10 -0.30 0.00 -2.50 0.00 0.00 55.73 52.98 1wpi s ARG 49 Cb -0.16 0.47 -0.05 0.00 0.06 0.00 0.00 34.95 35.27 1wpi s ARG 49 CO 0.10 -0.38 1.45 -0.59 -2.50 0.00 0.00 175.30 173.38 1wpi s PHE 50 N -2.37 2.67 -0.98 5.12 -0.71 -1.23 -4.74 117.98 115.74 1wpi s PHE 50 Ca -0.03 0.69 -0.07 0.00 -1.04 0.00 0.00 56.93 56.48 1wpi s PHE 50 Cb -0.01 -3.72 -0.09 0.00 -1.21 0.00 0.00 43.02 37.99 1wpi s PHE 50 CO -0.02 -2.75 2.54 -0.35 -1.34 0.00 0.00 175.22 173.30 1wpi n PRO 51 N 5.76 2.52 -0.95 1.99 -0.04 -1.26 -4.92 135.00 138.10 1wpi n PRO 51 Ca 0.14 -1.57 -0.31 0.00 -0.04 0.00 0.00 63.50 61.72 1wpi n PRO 51 Cb 0.43 -2.46 0.14 0.00 -0.04 0.00 0.00 33.50 31.57 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 2.62 2.47 0.31 0.52 -4.23 -1.26 -4.75 115.64 111.32 1wpi s THR 52 Ca 0.52 0.16 0.22 0.00 -1.18 0.00 0.00 61.69 61.41 1wpi s THR 52 Cb 0.15 -2.38 0.22 0.00 1.34 0.00 0.00 72.50 71.83 1wpi s THR 52 CO -0.04 -0.19 1.92 -0.50 -0.54 0.00 0.00 174.62 175.27 1wpi h TRP 53 N -1.46 0.00 -0.28 3.99 4.06 -1.94 0.48 115.95 120.80 1wpi h TRP 53 Ca -0.44 0.00 0.05 0.00 2.06 0.00 0.00 58.89 60.56 1wpi h TRP 53 Cb 1.26 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 29.34 1wpi h TRP 53 CO 0.52 0.23 -0.52 -0.44 -3.56 0.00 0.00 178.44 174.68 1wpi h ASP 54 N 0.00 -1.68 0.16 -3.49 3.32 -1.96 1.88 116.42 114.65 1wpi h ASP 54 Ca -0.00 0.22 -0.25 0.00 0.02 0.00 0.00 57.03 57.01 1wpi h ASP 54 Cb 0.57 0.68 0.02 0.00 0.22 0.00 0.00 39.33 40.82 1wpi h ASP 54 CO 0.03 -0.43 -1.18 1.56 -1.72 0.00 0.00 179.24 177.50 1wpi h GLN 55 N -0.47 0.35 -0.18 3.56 4.20 -1.91 -3.24 115.11 117.42 1wpi h GLN 55 Ca 0.07 -0.59 0.05 0.00 0.06 0.00 0.00 58.65 58.24 1wpi h GLN 55 Cb 0.63 0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 1wpi h GLN 55 CO -0.51 1.28 0.26 1.25 -0.67 0.00 0.00 178.83 180.43 1wpi h LEU 56 N -0.21 0.00 -1.87 1.46 7.12 -0.68 -0.87 115.31 120.26 1wpi h LEU 56 Ca -0.22 0.00 0.43 0.00 0.13 0.00 0.00 57.88 58.22 1wpi h LEU 56 Cb 1.82 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 41.88 1wpi h LEU 56 CO 0.16 0.00 1.04 0.06 -0.13 0.00 0.00 178.44 179.57 1wpi h GLN 57 N 0.00 0.04 0.21 1.25 -0.00 0.29 1.99 115.11 118.89 1wpi h GLN 57 Ca 0.08 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.72 1wpi h GLN 57 Cb 0.59 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 28.07 1wpi h GLN 57 CO -0.00 0.03 -0.10 1.88 -0.00 0.00 0.00 178.83 180.64 1wpi h TYR 58 N 0.04 -0.26 0.00 0.06 0.05 -1.39 -3.29 116.97 112.18 1wpi h TYR 58 Ca 0.74 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 59.43 1wpi h TYR 58 Cb 2.80 0.09 -0.01 0.00 1.01 0.00 0.00 36.73 40.61 1wpi h TYR 58 CO -0.00 0.11 -0.41 0.52 -1.05 0.00 0.00 178.16 177.32 1wpi h MET 59 N -0.94 0.00 -0.93 4.88 2.86 -0.80 -2.70 114.93 117.31 1wpi h MET 59 Ca -0.03 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.85 1wpi h MET 59 Cb 0.48 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.08 1wpi h MET 59 CO 0.05 0.41 0.63 0.07 1.06 0.00 0.00 176.91 179.13 1wpi h ARG 60 N 0.00 0.23 0.12 1.72 0.11 0.29 0.41 114.38 117.26 1wpi h ARG 60 Ca -0.00 -0.01 -0.26 0.00 0.10 0.00 0.00 59.98 59.80 1wpi h ARG 60 Cb 0.74 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.76 1wpi h ARG 60 CO 0.05 0.15 -1.33 1.79 0.10 0.00 0.00 179.97 180.74 1wpi h THR 61 N 0.24 1.09 -0.60 0.08 1.35 -1.55 -3.33 112.91 110.19 1wpi h THR 61 Ca 0.47 -2.41 0.10 0.00 -0.55 0.00 0.00 66.41 64.02 1wpi h THR 61 Cb 1.45 2.77 -0.04 0.00 -1.73 0.00 0.00 68.15 70.60 1wpi h THR 61 CO -0.12 0.70 0.41 0.28 -0.25 0.00 0.00 175.52 176.53 1wpi h SER 62 N -0.33 0.37 -4.93 5.36 0.02 -0.93 -3.42 113.55 109.69 1wpi h SER 62 Ca -0.28 0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.55 1wpi h SER 62 Cb 1.74 -0.07 -0.20 0.00 0.14 0.00 0.00 62.40 64.00 1wpi h SER 62 CO 0.07 0.22 -0.36 0.00 -1.14 0.00 0.00 176.83 175.62 1wpi h PRO 64 N 4.11 0.00 -0.06 0.00 0.13 -1.83 -2.78 132.00 131.57 1wpi h PRO 64 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 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 0.40 0.32 0.00 1.04 -0.23 0.00 0.00 178.00 179.53 1wpi n GLN 65 N -3.33 1.10 0.00 0.86 3.00 -1.26 -4.54 117.38 113.22 1wpi n GLN 65 Ca 0.01 -0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 1wpi n GLN 65 Cb 0.55 -1.04 0.00 0.00 0.00 0.00 0.00 30.24 29.75 1wpi n GLN 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wpi n GLY 66 N 0.56 0.00 0.15 1.08 0.00 -1.05 0.42 105.19 106.36 1wpi n GLY 66 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 0.46 -1.44 1.61 0.13 -1.88 -3.09 132.00 127.80 1wpi h PRO 67 Ca 0.00 -0.45 0.44 0.00 -0.87 0.00 0.00 66.00 65.11 1wpi h PRO 67 Cb 0.00 0.12 -0.10 0.00 0.13 0.00 0.00 31.00 31.15 1wpi h PRO 67 CO 0.00 1.10 0.98 -0.39 -0.23 0.00 0.00 178.00 179.46 1wpi h VAL 68 N 0.00 0.19 0.14 1.56 -1.51 -1.79 2.39 116.25 117.22 1wpi h VAL 68 Ca -0.06 -0.03 -0.29 0.00 -1.23 0.00 0.00 66.70 65.09 1wpi h VAL 68 Cb 1.28 0.11 0.02 0.00 -2.13 0.00 0.00 31.29 30.57 1wpi h VAL 68 CO 0.12 0.01 -1.25 0.77 -1.23 0.00 0.00 177.57 175.99 1wpi h SER 69 N 0.08 0.68 0.25 4.19 4.64 0.01 -1.79 113.55 121.60 1wpi h SER 69 Ca 0.78 -0.66 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1wpi h SER 69 Cb 2.72 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 64.59 1wpi h SER 69 CO -0.22 1.50 -0.12 -0.07 -0.87 0.00 0.00 176.83 177.05 1wpi h LEU 70 N 0.18 -0.28 -0.77 5.97 3.38 0.33 0.15 115.31 124.27 1wpi h LEU 70 Ca -0.17 -0.19 0.10 0.00 0.09 0.00 0.00 57.88 57.72 1wpi h LEU 70 Cb 1.94 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 42.69 1wpi h LEU 70 CO 0.23 0.22 0.40 1.56 0.09 0.00 0.00 178.44 180.94 1wpi h GLN 71 N -0.98 0.64 0.00 1.13 1.08 0.20 0.43 115.11 117.61 1wpi h GLN 71 Ca -0.03 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1wpi h GLN 71 Cb 0.45 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1wpi h GLN 71 CO 0.06 0.42 0.00 0.00 -0.95 0.00 0.00 178.83 178.36 1wpi h ARG 72 N 0.66 0.00 -0.54 1.46 2.47 -1.38 -3.04 114.38 114.00 1wpi h ARG 72 Ca 0.39 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 59.00 1wpi h ARG 72 Cb 0.43 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.73 1wpi h ARG 72 CO -0.28 0.00 -0.07 0.37 0.56 0.00 0.00 179.97 180.54 1wpi h GLN 73 N 0.00 1.01 -6.77 0.04 5.75 0.20 -3.43 115.11 111.90 1wpi h GLN 73 Ca 0.00 -0.36 -0.49 0.00 -0.15 0.00 0.00 58.65 57.65 1wpi h GLN 73 Cb 0.58 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.04 1wpi h GLN 73 CO 0.00 1.04 0.35 0.42 -2.65 0.00 0.00 178.83 177.99 1wpi s ILE 74 N -4.90 4.08 -1.10 2.39 -1.09 -1.04 -4.82 121.20 114.73 1wpi s ILE 74 Ca -0.12 2.03 -0.18 0.00 -2.23 0.00 0.00 60.65 60.15 1wpi s ILE 74 Cb 0.13 -4.27 -0.06 0.00 -1.58 0.00 0.00 42.46 36.67 1wpi s ILE 74 CO 0.86 0.43 2.07 -0.81 -1.23 0.00 0.00 174.94 176.26 1wpi n PRO 75 N 1.32 2.14 0.00 2.79 -0.04 -1.26 -3.04 135.00 136.91 1wpi n PRO 75 Ca -0.01 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.25 1wpi n PRO 75 Cb 0.48 -3.09 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 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 6.58 0.00 -0.02 0.54 4.76 -1.26 -4.87 118.16 123.89 1wpi n LYS 76 Ca 0.51 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.81 1wpi n LYS 76 Cb 0.40 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.50 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 -1.56 -1.69 -0.35 -0.00 -1.67 0.83 115.31 110.87 1wpi h LEU 77 Ca 0.00 0.19 0.49 0.00 -0.00 0.00 0.00 57.88 58.56 1wpi h LEU 77 Cb 0.00 0.61 -0.07 0.00 -0.00 0.00 0.00 40.66 41.20 1wpi h LEU 77 CO 0.00 -0.43 1.34 -0.67 -0.00 0.00 0.00 178.44 178.68 1wpi n ASP 78 N -5.12 0.00 -0.07 0.17 -0.08 -1.26 0.64 116.55 110.83 1wpi n ASP 78 Ca -0.05 0.91 -0.05 0.00 -1.51 0.00 0.00 54.79 54.09 1wpi n ASP 78 Cb 0.34 -0.42 -0.02 0.00 2.34 0.00 0.00 41.12 43.35 1wpi n ASP 78 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1wpi h SER 79 N 0.00 0.00 0.03 1.67 0.02 -0.02 -3.33 113.55 111.92 1wpi h SER 79 Ca 0.80 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 61.63 1wpi h SER 79 Cb 3.47 0.00 0.01 0.00 0.14 0.00 0.00 62.40 66.02 1wpi h SER 79 CO -0.01 0.74 -0.30 1.62 -1.14 0.00 0.00 176.83 177.74 1wpi h VAL 80 N -1.00 1.62 0.00 2.27 3.04 0.43 1.02 116.25 123.63 1wpi h VAL 80 Ca -0.02 -2.23 0.00 0.00 -1.01 0.00 0.00 66.70 63.44 1wpi h VAL 80 Cb 0.43 3.09 0.00 0.00 -2.01 0.00 0.00 31.29 32.80 1wpi h VAL 80 CO -0.01 0.60 0.30 -0.11 -1.01 0.00 0.00 177.57 177.34 1wpi n LEU 81 N -4.45 0.18 0.00 3.16 7.94 2.84 -3.95 117.00 122.73 1wpi n LEU 81 Ca -0.11 0.42 0.00 0.00 -1.11 0.00 0.00 56.01 55.21 1wpi n LEU 81 Cb 0.57 -0.38 0.00 0.00 0.53 0.00 0.00 43.42 44.15 1wpi n LEU 81 CO 0.40 -0.48 0.00 0.29 -1.11 0.00 0.00 177.39 176.48 1wpi n LYS 82 N -1.72 0.00 0.00 1.96 4.01 -1.06 -4.92 118.16 116.43 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 0.31 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.83 1wpi n LYS 82 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1wpi n TYR 83 N 0.00 0.00 0.00 2.13 4.01 -0.72 -4.97 117.16 117.62 1wpi n TYR 83 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1wpi n TYR 83 Cb 0.00 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 1wpi n TYR 83 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1wpi n LYS 84 N 0.00 2.88 0.22 -0.72 4.81 0.35 -3.48 118.16 122.21 1wpi n LYS 84 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1wpi n LYS 84 Cb 0.23 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.28 1wpi n LYS 84 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1wpi n HIS 85 N 0.00 0.00 0.05 5.64 1.44 -1.25 0.58 115.22 121.68 1wpi n HIS 85 Ca 0.00 0.00 0.20 0.00 -2.01 0.00 0.00 57.72 55.91 1wpi n HIS 85 Cb 0.00 0.00 0.58 0.00 0.12 0.00 0.00 29.99 30.69 1wpi n HIS 85 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1wpi h THR 86 N 0.00 0.15 0.00 0.61 1.03 -1.66 -3.32 112.91 109.72 1wpi h THR 86 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1wpi h THR 86 Cb 1.39 0.37 0.00 0.00 -1.07 0.00 0.00 68.15 68.84 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 -3.30 0.00 -0.60 0.00 2.03 0.20 -4.17 116.55 110.70 1wpi n ASP 87 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1wpi n ASP 87 Cb 0.93 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.33 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 0.00 -0.67 -0.04 -1.26 -3.37 135.00 130.41 1wpi n PRO 88 Ca 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 1wpi n PRO 88 Cb 0.00 -1.32 -0.13 0.00 -0.04 0.00 0.00 33.50 32.01 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 0.05 1.58 0.00 0.52 1.03 -1.73 -3.38 112.91 110.99 1wpi h THR 89 Ca 0.00 -2.32 0.00 0.00 -0.01 0.00 0.00 66.41 64.08 1wpi h THR 89 Cb 0.45 3.09 0.00 0.00 -1.07 0.00 0.00 68.15 70.63 1wpi h THR 89 CO 0.00 0.64 -1.47 0.49 -0.01 0.00 0.00 175.52 175.17 1wpi n PHE 90 N -4.33 0.00 -0.08 0.00 3.72 -1.23 -4.18 117.46 111.36 1wpi n PHE 90 Ca -0.12 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.27 1wpi n PHE 90 Cb 0.66 -0.26 0.01 0.00 -0.94 0.00 0.00 39.48 38.95 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 1.67 -1.11 2.40 1.37 0.00 -1.22 -1.76 105.19 106.56 1wpi n GLY 91 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.45 0.00 -3.44 1.61 -0.00 -1.26 -2.47 117.12 111.11 1wpi n MET 92 Ca 0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 57.70 57.27 1wpi n MET 92 Cb 0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 33.22 33.17 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 -1.55 5.96 0.18 3.17 1.01 -1.26 -3.57 116.67 120.60 1wpi s ASP 93 Ca 0.00 -1.69 0.03 0.00 0.71 0.00 0.00 52.55 51.60 1wpi s ASP 93 Cb 0.00 -2.11 0.03 0.00 1.01 0.00 0.00 42.92 41.85 1wpi s ASP 93 CO 0.00 -0.72 1.41 0.25 0.21 0.00 0.00 175.17 176.32 1wpi h LEU 94 N 8.66 0.26 -1.96 1.23 5.85 -1.01 -3.03 115.31 125.31 1wpi h LEU 94 Ca -0.26 -0.20 0.16 0.00 0.84 0.00 0.00 57.88 58.42 1wpi h LEU 94 Cb 1.09 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1wpi h LEU 94 CO 0.91 0.98 0.51 -0.61 -0.34 0.00 0.00 178.44 179.89 1wpi h GLN 95 N 0.12 0.00 0.00 1.25 -0.00 -1.84 1.62 115.11 116.26 1wpi h GLN 95 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.59 1wpi h GLN 95 Cb 1.44 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.92 1wpi h GLN 95 CO 0.13 0.00 -0.09 0.87 0.00 0.00 0.00 178.83 179.74 1wpi h LYS 96 N 0.00 0.00 0.03 1.69 1.79 -1.86 2.14 116.57 120.36 1wpi h LYS 96 Ca 0.26 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.37 1wpi h LYS 96 Cb 1.28 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.88 1wpi h LYS 96 CO -0.00 0.09 -2.10 0.00 -1.08 0.00 0.00 179.45 176.36 1wpi h VAL 98 N -0.43 1.26 -1.06 0.00 -1.51 -0.44 0.25 116.25 114.33 1wpi h VAL 98 Ca -0.52 -2.04 0.38 0.00 -1.23 0.00 0.00 66.70 63.30 1wpi h VAL 98 Cb 1.74 2.14 -0.13 0.00 -2.13 0.00 0.00 31.29 32.92 1wpi h VAL 98 CO -0.15 0.55 0.65 0.00 -1.23 0.00 0.00 177.57 177.40 1wpi n GLN 99 N -3.66 -0.04 0.00 5.19 -0.00 0.72 -4.16 117.38 115.44 1wpi n GLN 99 Ca -0.01 1.07 0.00 0.00 -0.00 0.00 0.00 57.00 58.07 1wpi n GLN 99 Cb 0.61 -2.06 0.00 0.00 -0.00 0.00 0.00 30.24 28.80 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 -4.51 0.00 -1.68 2.61 3.00 -1.20 -5.01 116.66 109.87 1wpi n ARG 100 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.18 1wpi n ARG 100 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.70 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 4.33 6.68 5.14 0.00 0.89 -5.06 105.19 117.17 1wpi n GLY 101 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 -4.75 0.99 0.00 -1.26 -4.33 117.00 107.65 1wpi n LEU 102 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 56.01 55.76 1wpi n LEU 102 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.36 1wpi n LEU 102 CO 0.00 0.00 -0.25 0.26 0.00 0.00 0.00 177.39 177.40 1wpi s TRP 103 N 0.00 3.03 -0.47 1.96 0.51 -1.26 -5.06 118.94 117.64 1wpi s TRP 103 Ca 0.00 -0.08 -0.29 0.00 -2.12 0.00 0.00 56.10 53.61 1wpi s TRP 103 Cb 0.00 -1.43 0.02 0.00 -0.81 0.00 0.00 33.47 31.25 1wpi s TRP 103 CO 0.00 0.53 1.23 -0.80 -0.51 0.00 0.00 176.95 177.40 1wpi s ASN 104 N -3.22 6.51 -0.07 2.95 -0.87 -1.26 -4.82 114.94 114.15 1wpi s ASN 104 Ca 0.30 0.52 -0.27 0.00 -1.57 0.00 0.00 52.86 51.85 1wpi s ASN 104 Cb -0.09 -2.55 -0.23 0.00 -0.02 0.00 0.00 41.25 38.36 1wpi s ASN 104 CO 0.22 -1.35 1.02 1.55 -2.57 0.00 0.00 177.10 175.98 1wpi h PRO 105 N 9.75 0.03 -4.45 -0.60 0.13 -1.87 -3.42 132.00 131.57 1wpi h PRO 105 Ca -0.25 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.80 1wpi h PRO 105 Cb 1.07 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1wpi h PRO 105 CO 1.12 0.77 -0.07 0.36 -0.23 0.00 0.00 178.00 179.96 1wpi n LYS 106 N -4.69 -2.44 -4.32 0.86 -0.00 -0.92 -4.80 118.16 101.85 1wpi n LYS 106 Ca -0.09 0.01 -0.28 0.00 -0.00 0.00 0.00 58.31 57.95 1wpi n LYS 106 Cb 0.39 -3.66 -0.10 0.00 -0.00 0.00 0.00 35.03 31.65 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 -4.25 1.87 -0.01 -1.58 0.41 -1.15 -4.80 118.70 109.19 1wpi s GLU 107 Ca 0.07 -1.29 0.05 0.00 -0.41 0.00 0.00 54.97 53.39 1wpi s GLU 107 Cb -0.04 -2.09 -0.03 0.00 -1.78 0.00 0.00 34.13 30.20 1wpi s GLU 107 CO 0.08 0.44 -0.15 0.00 -0.49 0.00 0.00 175.26 175.14 1wpi s ALA 108 N -1.51 2.65 -0.23 5.21 0.00 -1.26 -3.01 121.76 123.62 1wpi s ALA 108 Ca 0.22 -1.06 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 1wpi s ALA 108 Cb -0.09 -0.89 0.01 0.00 0.00 0.00 0.00 23.12 22.15 1wpi s ALA 108 CO 0.13 0.57 -0.07 -0.51 0.00 0.00 0.00 175.76 175.87 1wpi s LEU 109 N -1.03 2.90 -0.28 0.00 1.43 -1.13 -1.10 118.68 119.48 1wpi s LEU 109 Ca 0.13 -0.64 -0.06 0.00 -1.03 0.00 0.00 54.13 52.54 1wpi s LEU 109 Cb -0.11 -1.67 0.01 0.00 0.03 0.00 0.00 46.19 44.46 1wpi s LEU 109 CO 0.03 -0.06 0.04 0.86 0.23 0.00 0.00 176.35 177.44 1wpi s TRP 110 N 1.38 3.11 -0.05 0.29 -0.00 -1.16 -0.16 118.94 122.36 1wpi s TRP 110 Ca 0.03 -1.04 -0.02 0.00 -0.00 0.00 0.00 56.10 55.08 1wpi s TRP 110 Cb -0.15 -2.20 0.03 0.00 -0.00 0.00 0.00 33.47 31.15 1wpi s TRP 110 CO -0.05 -0.58 0.10 0.14 -0.00 0.00 0.00 176.95 176.55 1wpi s VAL 111 N 1.47 -0.04 0.13 5.86 -7.23 -0.44 0.14 120.40 120.29 1wpi s VAL 111 Ca 0.03 0.15 0.07 0.00 -1.81 0.00 0.00 61.98 60.42 1wpi s VAL 111 Cb -0.17 -0.17 -0.04 0.00 0.56 0.00 0.00 36.38 36.56 1wpi s VAL 111 CO 0.01 0.06 -0.06 -1.81 -0.31 0.00 0.00 175.10 172.99 1wpi s ASP 112 N 0.90 4.59 0.00 4.85 1.01 0.44 -1.90 116.67 126.55 1wpi s ASP 112 Ca -0.07 -0.37 0.00 0.00 0.71 0.00 0.00 52.55 52.82 1wpi s ASP 112 Cb -0.10 -0.93 0.00 0.00 1.01 0.00 0.00 42.92 42.90 1wpi s ASP 112 CO -0.04 0.15 0.00 1.87 0.21 0.00 0.00 175.17 177.36 1wpi n TRP 113 N 0.40 0.00 0.03 4.23 -0.00 -1.25 -3.30 117.44 117.54 1wpi n TRP 113 Ca -0.12 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.40 1wpi n TRP 113 Cb 0.53 0.00 0.11 0.00 -0.00 0.00 0.00 31.31 31.95 1wpi n TRP 113 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 1wpi n GLU 114 N -1.36 0.03 -0.00 5.87 -0.58 -1.26 0.15 120.64 123.48 1wpi n GLU 114 Ca 0.00 0.47 0.07 0.00 -0.42 0.00 0.00 57.16 57.28 1wpi n GLU 114 Cb 0.00 -1.66 -0.09 0.00 -0.57 0.00 0.00 31.44 29.12 1wpi n GLU 114 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1wpi n ASN 115 N -1.59 0.98 -3.95 1.62 4.13 -1.26 -4.50 115.26 110.70 1wpi n ASN 115 Ca -0.00 -0.58 -0.31 0.00 1.68 0.00 0.00 54.58 55.37 1wpi n ASN 115 Cb 0.08 1.20 -0.01 0.00 -1.54 0.00 0.00 39.78 39.51 1wpi n ASN 115 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1wpi n LYS 116 N -1.53 -2.05 -3.54 3.52 2.85 0.38 -4.76 118.16 113.03 1wpi n LYS 116 Ca 0.01 0.33 -0.16 0.00 -1.05 0.00 0.00 58.31 57.44 1wpi n LYS 116 Cb 0.26 -4.03 -0.13 0.00 -0.65 0.00 0.00 35.03 30.49 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 -6.96 -0.18 0.09 -5.58 0.05 -1.21 -4.97 118.68 99.92 1wpi s LEU 117 Ca 0.19 0.06 0.05 0.00 0.05 0.00 0.00 54.13 54.48 1wpi s LEU 117 Cb -0.08 0.49 -0.03 0.00 -2.05 0.00 0.00 46.19 44.52 1wpi s LEU 117 CO 0.91 -0.30 -0.13 0.68 -0.55 0.00 0.00 176.35 176.96 1wpi s VAL 118 N 2.36 1.15 -0.30 1.48 -7.23 -1.26 0.17 120.40 116.76 1wpi s VAL 118 Ca 0.06 -1.52 -0.12 0.00 -1.81 0.00 0.00 61.98 58.59 1wpi s VAL 118 Cb -0.14 -1.29 0.16 0.00 0.56 0.00 0.00 36.38 35.67 1wpi s VAL 118 CO -0.11 -0.37 0.86 -0.83 -0.31 0.00 0.00 175.10 174.34 1wpi s GLY 119 N -2.14 -0.46 0.95 2.32 0.00 0.37 -4.95 107.32 103.41 1wpi s GLY 119 Ca 0.03 2.67 -0.12 0.00 0.00 0.00 0.00 44.72 47.30 1wpi s GLY 119 CO 0.02 3.29 0.56 1.16 0.00 0.00 0.00 173.10 178.14 1wpi n ASN 120 N 5.23 -1.57 -0.52 1.64 6.94 -1.26 -3.01 115.26 122.70 1wpi n ASN 120 Ca -0.08 0.33 0.01 0.00 -0.02 0.00 0.00 54.58 54.82 1wpi n ASN 120 Cb 0.52 -1.26 -0.01 0.00 -2.36 0.00 0.00 39.78 36.67 1wpi n ASN 120 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1wpi n GLU 121 N -2.29 -1.33 0.02 -3.83 1.02 -0.26 -4.26 120.64 109.70 1wpi n GLU 121 Ca 0.08 1.05 -0.19 0.00 -0.02 0.00 0.00 57.16 58.07 1wpi n GLU 121 Cb 0.53 -1.35 -0.09 0.00 -0.02 0.00 0.00 31.44 30.51 1wpi n GLU 121 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1wpi h PRO 122 N -0.07 0.71 -0.82 3.49 0.13 -1.85 -3.09 132.00 130.51 1wpi h PRO 122 Ca -0.02 -0.69 0.24 0.00 -0.87 0.00 0.00 66.00 64.66 1wpi h PRO 122 Cb 0.36 0.18 -0.03 0.00 0.13 0.00 0.00 31.00 31.64 1wpi h PRO 122 CO 0.01 1.28 0.69 0.00 -0.23 0.00 0.00 178.00 179.75 1wpi h ALA 123 N 0.44 2.68 -0.78 -0.56 0.00 -1.92 0.63 119.26 119.75 1wpi h ALA 123 Ca -0.10 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1wpi h ALA 123 Cb 1.56 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.34 1wpi h ALA 123 CO 0.18 -1.11 0.45 0.22 0.00 0.00 0.00 179.25 178.99 1wpi h ASP 124 N 0.00 0.65 -0.16 0.00 1.82 -1.72 -1.91 116.42 115.10 1wpi h ASP 124 Ca 0.39 0.04 0.05 0.00 -0.39 0.00 0.00 57.03 57.12 1wpi h ASP 124 Cb 1.76 -0.09 -0.07 0.00 0.68 0.00 0.00 39.33 41.62 1wpi h ASP 124 CO -0.00 0.39 -0.40 0.40 -1.61 0.00 0.00 179.24 178.02 1wpi h ILE 125 N 0.78 0.17 -0.40 2.25 2.04 0.10 0.32 117.51 122.77 1wpi h ILE 125 Ca 0.37 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.30 1wpi h ILE 125 Cb 0.29 0.17 -0.09 0.00 -0.74 0.00 0.00 36.82 36.45 1wpi h ILE 125 CO -0.22 0.00 -0.39 -0.78 0.00 0.00 0.00 178.15 176.76 1wpi h ASP 126 N -0.45 -1.30 -0.43 1.72 1.82 -1.43 2.93 116.42 119.28 1wpi h ASP 126 Ca 0.09 0.21 0.09 0.00 -0.39 0.00 0.00 57.03 57.02 1wpi h ASP 126 Cb 0.60 0.58 -0.09 0.00 0.68 0.00 0.00 39.33 41.11 1wpi h ASP 126 CO -0.41 -0.35 -0.16 0.11 -1.61 0.00 0.00 179.24 176.81 1wpi h LYS 127 N -0.30 -0.07 0.00 0.28 6.56 -0.77 -3.20 116.57 119.07 1wpi h LYS 127 Ca 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.75 1wpi h LYS 127 Cb 0.57 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 1wpi h LYS 127 CO -0.56 -0.05 0.00 0.66 -2.06 0.00 0.00 179.45 177.44 1wpi n TYR 128 N -5.36 0.00 -3.98 -1.35 4.01 0.10 -4.74 117.16 105.84 1wpi n TYR 128 Ca 0.03 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.46 1wpi n TYR 128 Cb 0.27 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.16 1wpi n TYR 128 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1wpi s ILE 129 N 0.00 2.45 0.00 -0.72 -0.00 0.96 -3.49 121.20 120.40 1wpi s ILE 129 Ca 0.00 -2.70 0.00 0.00 -0.00 0.00 0.00 60.65 57.95 1wpi s ILE 129 Cb 0.00 -2.76 0.00 0.00 -0.00 0.00 0.00 42.46 39.70 1wpi s ILE 129 CO 0.00 -0.68 0.00 2.30 -0.00 0.00 0.00 174.94 176.56 1wpi n ILE 130 N 3.84 0.00 1.62 8.37 -6.64 -0.72 -4.07 119.36 121.76 1wpi n ILE 130 Ca 0.04 0.00 0.08 0.00 -1.77 0.00 0.00 62.75 61.10 1wpi n ILE 130 Cb 0.38 0.00 0.48 0.00 -1.44 0.00 0.00 39.64 39.06 1wpi n ILE 130 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1wpi n GLN 131 N 0.00 0.81 -2.65 6.28 3.00 -1.26 -4.25 117.38 119.30 1wpi n GLN 131 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 1wpi n GLN 131 Cb 0.00 -1.31 0.03 0.00 0.00 0.00 0.00 30.24 28.97 1wpi n GLN 131 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 1wpi s ARG 132 N -2.00 0.02 0.00 -1.09 1.04 -1.26 -4.43 118.95 111.23 1wpi s ARG 132 Ca 0.24 -0.02 0.00 0.00 -1.04 0.00 0.00 55.73 54.91 1wpi s ARG 132 Cb 0.11 -0.00 0.00 0.00 -2.04 0.00 0.00 34.95 33.02 1wpi s ARG 132 CO 0.19 -0.03 0.00 0.36 -0.04 0.00 0.00 175.30 175.78