#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 2.53 0.15 6.12 0.15 -1.26 -5.13 113.70 116.26 1wpi s SER 2 Ca 0.00 -0.42 -0.19 0.00 0.70 0.00 0.00 55.95 56.04 1wpi s SER 2 Cb 0.00 -0.70 0.05 0.00 -1.71 0.00 0.00 66.02 63.65 1wpi s SER 2 CO 0.00 0.19 0.50 -0.36 1.20 0.00 0.00 173.24 174.76 1wpi s PHE 3 N -0.04 -0.31 -0.15 3.44 0.08 -1.26 -5.01 117.98 114.74 1wpi s PHE 3 Ca -0.04 0.02 -0.24 0.00 0.12 0.00 0.00 56.93 56.79 1wpi s PHE 3 Cb -0.12 0.39 -0.25 0.00 -0.57 0.00 0.00 43.02 42.47 1wpi s PHE 3 CO 0.03 -0.80 0.58 -1.49 -0.10 0.00 0.00 175.22 173.44 1wpi h TRP 4 N 2.20 0.12 0.00 0.36 6.55 -2.05 -3.34 115.95 119.80 1wpi h TRP 4 Ca -0.33 -0.09 -0.13 0.00 0.95 0.00 0.00 58.89 59.29 1wpi h TRP 4 Cb 1.28 -0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.55 1wpi h TRP 4 CO 0.30 1.26 -0.63 0.87 -1.05 0.00 0.00 178.44 179.19 1wpi h LYS 5 N -0.83 0.00 -4.51 0.49 1.79 -1.97 -3.49 116.57 108.05 1wpi h LYS 5 Ca -0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1wpi h LYS 5 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1wpi h LYS 5 CO -0.04 0.63 -0.46 -2.37 -1.08 0.00 0.00 179.45 176.13 1wpi n THR 6 N -3.28 -1.14 0.00 -0.16 5.66 -1.26 -4.89 114.28 109.22 1wpi n THR 6 Ca 0.01 0.23 0.00 0.00 -3.05 0.00 0.00 64.05 61.24 1wpi n THR 6 Cb 0.78 -1.93 0.00 0.00 -1.55 0.00 0.00 70.33 67.62 1wpi n THR 6 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1wpi n LEU 7 N 1.37 0.00 -0.39 1.09 7.94 -1.26 -4.91 117.00 120.84 1wpi n LEU 7 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1wpi n LEU 7 Cb 0.23 0.21 0.00 0.00 0.53 0.00 0.00 43.42 44.38 1wpi n LEU 7 CO 0.00 -0.33 0.00 1.67 -1.11 0.00 0.00 177.39 177.62 1wpi n GLN 8 N -2.17 0.00 -2.60 1.96 7.27 -1.26 -5.00 117.38 115.58 1wpi n GLN 8 Ca 0.00 0.39 -0.06 0.00 0.07 0.00 0.00 57.00 57.40 1wpi n GLN 8 Cb 0.00 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.60 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 0.32 -4.64 -3.07 3.69 1.74 -1.26 -4.95 116.66 108.49 1wpi n ARG 9 Ca 0.00 3.49 -0.39 0.00 -0.77 0.00 0.00 57.85 60.18 1wpi n ARG 9 Cb 0.00 -5.13 -0.05 0.00 -1.02 0.00 0.00 32.46 26.25 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 -0.70 4.43 0.92 5.56 -2.07 -1.26 -5.00 119.66 121.54 1wpi s GLN 10 Ca -0.29 0.96 -0.13 0.00 -1.82 0.00 0.00 55.36 54.08 1wpi s GLN 10 Cb 0.02 -3.33 0.14 0.00 -1.09 0.00 0.00 33.01 28.75 1wpi s GLN 10 CO 0.81 0.38 1.14 -1.25 -1.32 0.00 0.00 175.29 175.05 1wpi s PRO 11 N -0.35 1.05 -0.16 9.60 0.04 -1.26 -4.96 135.00 138.96 1wpi s PRO 11 Ca 0.35 0.25 -0.13 0.00 0.04 0.00 0.00 61.00 61.51 1wpi s PRO 11 Cb -0.20 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 1wpi s PRO 11 CO 0.21 -2.25 -0.28 -2.13 0.04 0.00 0.00 177.00 172.59 1wpi n ARG 12 N -3.79 0.44 -3.22 4.56 0.63 -1.26 -4.80 116.66 109.22 1wpi n ARG 12 Ca 0.07 0.18 -0.41 0.00 -0.92 0.00 0.00 57.85 56.77 1wpi n ARG 12 Cb 0.59 -1.26 -0.08 0.00 0.45 0.00 0.00 32.46 32.17 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 -2.60 4.99 -0.37 5.15 2.01 -1.26 -4.03 115.64 119.53 1wpi s THR 13 Ca -0.26 0.37 -0.14 0.00 0.31 0.00 0.00 61.69 61.96 1wpi s THR 13 Cb 0.07 -3.99 -0.00 0.00 0.01 0.00 0.00 72.50 68.59 1wpi s THR 13 CO 0.36 -0.24 0.29 -0.63 -0.69 0.00 0.00 174.62 173.71 1wpi s ILE 14 N 2.45 5.24 -0.51 1.82 -1.09 -1.23 -3.78 121.20 124.11 1wpi s ILE 14 Ca 0.20 -0.34 -0.13 0.00 -2.23 0.00 0.00 60.65 58.14 1wpi s ILE 14 Cb -0.15 -3.83 0.12 0.00 -1.58 0.00 0.00 42.46 37.02 1wpi s ILE 14 CO 0.14 -0.16 0.43 -0.44 -1.23 0.00 0.00 174.94 173.68 1wpi s SER 15 N 1.72 5.99 -0.07 3.58 0.01 0.03 -2.36 113.70 122.61 1wpi s SER 15 Ca 0.07 -1.79 0.03 0.00 1.31 0.00 0.00 55.95 55.56 1wpi s SER 15 Cb -0.18 -2.13 0.01 0.00 0.21 0.00 0.00 66.02 63.93 1wpi s SER 15 CO 0.11 -0.78 -0.15 -0.22 0.41 0.00 0.00 173.24 172.61 1wpi s LEU 16 N 1.51 1.77 0.25 2.44 2.96 -1.18 0.15 118.68 126.58 1wpi s LEU 16 Ca 0.04 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1wpi s LEU 16 Cb -0.28 -0.94 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 1wpi s LEU 16 CO 0.02 0.08 0.40 -0.36 -1.32 0.00 0.00 176.35 175.17 1wpi s PHE 17 N 0.49 3.47 0.01 5.38 0.08 0.31 -2.87 117.98 124.87 1wpi s PHE 17 Ca -0.13 0.16 0.03 0.00 0.12 0.00 0.00 56.93 57.11 1wpi s PHE 17 Cb -0.15 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 1wpi s PHE 17 CO 0.04 0.36 -0.04 0.99 -0.10 0.00 0.00 175.22 176.48 1wpi s THR 18 N -2.01 3.85 -0.36 0.64 2.01 0.19 -2.25 115.64 117.71 1wpi s THR 18 Ca 0.36 -0.76 0.14 0.00 0.31 0.00 0.00 61.69 61.74 1wpi s THR 18 Cb -0.10 -2.71 0.44 0.00 0.01 0.00 0.00 72.50 70.14 1wpi s THR 18 CO 0.31 0.35 0.98 -3.20 -0.69 0.00 0.00 174.62 172.36 1wpi n ASN 19 N 1.36 2.33 -1.03 3.53 5.15 -0.96 -4.01 115.26 121.63 1wpi n ASN 19 Ca -0.15 -3.02 0.10 0.00 -0.60 0.00 0.00 54.58 50.91 1wpi n ASN 19 Cb 0.52 -0.52 -0.05 0.00 -0.53 0.00 0.00 39.78 39.21 1wpi n ASN 19 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1wpi n ASP 20 N -0.15 -4.60 0.00 1.20 -0.08 -1.24 -3.38 116.55 108.30 1wpi n ASP 20 Ca 0.19 0.70 0.00 0.00 -1.51 0.00 0.00 54.79 54.17 1wpi n ASP 20 Cb 0.75 -3.38 0.00 0.00 2.34 0.00 0.00 41.12 40.83 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 -3.53 0.00 0.00 5.18 -0.00 -1.18 -3.08 119.36 116.75 1wpi n ILE 21 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.71 1wpi n ILE 21 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.13 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 -1.10 0.02 -1.00 -1.39 0.00 -1.26 -4.67 120.51 111.11 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 -4.55 0.00 2.88 -1.26 -4.29 113.62 106.39 1wpi n SER 23 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 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 -2.19 5.84 0.31 -3.46 0.02 -1.26 -4.84 114.94 109.36 1wpi s ASN 24 Ca 0.00 -0.38 0.02 0.00 -1.02 0.00 0.00 52.86 51.48 1wpi s ASN 24 Cb 0.00 -2.55 0.75 0.00 0.02 0.00 0.00 41.25 39.47 1wpi s ASN 24 CO 0.00 -2.04 1.54 -0.38 0.02 0.00 0.00 177.10 176.24 1wpi n ILE 25 N 6.85 -0.41 -0.03 0.60 2.08 -1.26 0.42 119.36 127.60 1wpi n ILE 25 Ca 0.16 2.16 -0.00 0.00 0.56 0.00 0.00 62.75 65.63 1wpi n ILE 25 Cb 0.50 -3.15 -0.00 0.00 -0.75 0.00 0.00 39.64 36.24 1wpi n ILE 25 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 1wpi h LYS 26 N 0.00 -0.02 0.23 0.38 6.56 -1.95 -3.19 116.57 118.59 1wpi h LYS 26 Ca 0.60 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 60.18 1wpi h LYS 26 Cb 1.23 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.89 1wpi h LYS 26 CO -0.92 -0.01 -0.15 0.77 -2.06 0.00 0.00 179.45 177.07 1wpi h SER 27 N -0.83 -0.39 -1.77 0.86 0.02 -1.65 -1.71 113.55 108.07 1wpi h SER 27 Ca -0.00 0.02 0.52 0.00 -0.84 0.00 0.00 61.79 61.49 1wpi h SER 27 Cb 0.01 0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.60 1wpi h SER 27 CO 0.00 -0.23 1.27 1.67 -1.14 0.00 0.00 176.83 178.41 1wpi n GLN 28 N -3.20 -0.00 0.00 3.45 -0.06 1.42 0.21 117.38 119.20 1wpi n GLN 28 Ca -0.04 0.98 0.00 0.00 -2.00 0.00 0.00 57.00 55.94 1wpi n GLN 28 Cb 0.15 -2.26 0.00 0.00 -4.06 0.00 0.00 30.24 24.07 1wpi n GLN 28 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1wpi n LYS 29 N -3.76 0.00 -0.02 3.69 3.00 -0.68 -3.43 118.16 116.95 1wpi n LYS 29 Ca 0.40 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.66 1wpi n LYS 29 Cb 1.81 -0.71 -0.04 0.00 0.00 0.00 0.00 35.03 36.09 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 -4.78 0.12 -0.03 0.00 7.99 0.57 0.35 117.00 121.22 1wpi n LEU 31 Ca -0.04 0.91 -0.15 0.00 -0.01 0.00 0.00 56.01 56.72 1wpi n LEU 31 Cb 0.17 -0.45 -0.12 0.00 -0.11 0.00 0.00 43.42 42.91 1wpi n LEU 31 CO 0.13 -0.98 0.36 1.56 -1.51 0.00 0.00 177.39 176.95 1wpi h GLN 32 N 0.00 0.13 0.43 3.23 1.08 -1.33 -0.62 115.11 118.03 1wpi h GLN 32 Ca 0.62 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.65 1wpi h GLN 32 Cb 2.10 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 29.57 1wpi h GLN 32 CO -0.26 0.97 -0.32 1.25 -0.95 0.00 0.00 178.83 179.51 1wpi h LEU 33 N -0.63 -0.84 -1.73 1.46 5.85 0.63 -0.49 115.31 119.57 1wpi h LEU 33 Ca -0.03 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1wpi h LEU 33 Cb 1.06 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.36 1wpi h LEU 33 CO 0.05 -0.48 0.00 -0.07 -0.34 0.00 0.00 178.44 177.59 1wpi h LEU 34 N -0.74 0.00 -1.32 2.25 4.07 -0.50 -1.52 115.31 117.55 1wpi h LEU 34 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1wpi h LEU 34 Cb 0.63 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1wpi h LEU 34 CO 0.00 0.00 0.00 1.17 -1.08 0.00 0.00 178.44 178.53 1wpi n LYS 35 N -2.86 0.13 0.00 1.13 3.00 -0.20 -3.72 118.16 115.65 1wpi n LYS 35 Ca -0.00 0.62 0.00 0.00 -0.00 0.00 0.00 58.31 58.93 1wpi n LYS 35 Cb 0.20 -1.93 0.00 0.00 0.00 0.00 0.00 35.03 33.31 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 -1.26 -1.00 0.00 3.14 0.00 -0.57 -4.77 105.19 100.72 1wpi n GLY 36 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.19 0.00 -3.71 1.61 8.00 -1.24 -5.14 116.55 115.87 1wpi n ASP 37 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 1wpi n ASP 37 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 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 0.00 0.00 0.33 2.53 0.11 -1.26 -5.10 120.40 117.01 1wpi s VAL 38 Ca 0.00 -0.78 0.03 0.00 -2.93 0.00 0.00 61.98 58.30 1wpi s VAL 38 Cb 0.00 -2.11 -0.05 0.00 -1.53 0.00 0.00 36.38 32.69 1wpi s VAL 38 CO 0.00 0.00 0.08 -0.94 -3.33 0.00 0.00 175.10 170.91 1wpi s SER 39 N -2.98 2.18 0.00 3.54 1.04 -1.26 -1.23 113.70 115.00 1wpi s SER 39 Ca 0.13 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.12 1wpi s SER 39 Cb -0.03 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1wpi s SER 39 CO 0.04 -0.70 0.00 1.41 0.98 0.00 0.00 173.24 174.97 1wpi n HIS 40 N -0.68 0.00 0.00 5.02 8.25 -1.26 -4.85 115.22 121.70 1wpi n HIS 40 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1wpi n HIS 40 Cb 0.66 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.77 1wpi n HIS 40 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1wpi n ARG 41 N 0.00 0.00 -2.66 -0.41 5.12 -1.25 -4.20 116.66 113.25 1wpi n ARG 41 Ca 0.00 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.68 1wpi n ARG 41 Cb 0.00 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.32 1wpi n ARG 41 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 1wpi s PHE 42 N -0.31 3.19 -0.23 -1.55 -0.71 -1.17 -5.08 117.98 112.12 1wpi s PHE 42 Ca 0.00 0.40 -0.07 0.00 -1.04 0.00 0.00 56.93 56.21 1wpi s PHE 42 Cb 0.00 -2.58 -0.03 0.00 -1.21 0.00 0.00 43.02 39.20 1wpi s PHE 42 CO 0.00 -0.66 0.07 -0.51 -1.34 0.00 0.00 175.22 172.78 1wpi s ASP 43 N -4.29 5.29 -0.15 1.98 1.01 -1.26 -4.91 116.67 114.34 1wpi s ASP 43 Ca 0.52 -0.12 -0.17 0.00 0.71 0.00 0.00 52.55 53.48 1wpi s ASP 43 Cb -0.10 -1.94 -0.04 0.00 1.01 0.00 0.00 42.92 41.85 1wpi s ASP 43 CO 0.41 0.02 0.45 -0.69 0.21 0.00 0.00 175.17 175.58 1wpi s VAL 44 N 1.27 5.19 -0.33 -1.27 1.01 -1.26 -3.48 120.40 121.54 1wpi s VAL 44 Ca 0.05 0.87 -0.14 0.00 0.00 0.00 0.00 61.98 62.75 1wpi s VAL 44 Cb -0.15 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1wpi s VAL 44 CO 0.04 0.30 0.33 -1.83 0.00 0.00 0.00 175.10 173.94 1wpi s GLU 45 N 0.89 3.65 -0.41 2.72 4.04 -1.00 -5.01 118.70 123.60 1wpi s GLU 45 Ca 0.23 -0.37 -0.09 0.00 0.04 0.00 0.00 54.97 54.78 1wpi s GLU 45 Cb -0.15 -3.77 0.07 0.00 0.02 0.00 0.00 34.13 30.30 1wpi s GLU 45 CO 0.09 -0.45 0.24 0.42 -1.84 0.00 0.00 175.26 173.72 1wpi s ILE 46 N 1.97 4.21 -0.05 1.83 1.09 -1.26 -3.07 121.20 125.92 1wpi s ILE 46 Ca 0.11 -1.35 -0.04 0.00 -1.10 0.00 0.00 60.65 58.27 1wpi s ILE 46 Cb -0.16 -3.55 0.01 0.00 -1.06 0.00 0.00 42.46 37.70 1wpi s ILE 46 CO 0.11 -0.47 0.12 0.00 -0.10 0.00 0.00 174.94 174.60 1wpi s ALA 47 N 1.43 -0.28 -0.25 9.38 0.00 -1.14 -5.01 121.76 125.89 1wpi s ALA 47 Ca 0.03 0.37 -0.10 0.00 0.00 0.00 0.00 51.96 52.25 1wpi s ALA 47 Cb -0.22 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 1wpi s ALA 47 CO 0.02 -0.07 0.15 0.54 0.00 0.00 0.00 175.76 176.40 1wpi s ASN 48 N 0.19 5.89 0.18 0.00 2.20 -1.26 -0.63 114.94 121.51 1wpi s ASN 48 Ca -0.01 0.02 -0.20 0.00 -0.94 0.00 0.00 52.86 51.73 1wpi s ASN 48 Cb -0.02 -2.07 0.05 0.00 -2.00 0.00 0.00 41.25 37.21 1wpi s ASN 48 CO -0.01 0.03 0.56 -0.13 -2.94 0.00 0.00 177.10 174.62 1wpi s ARG 49 N 1.28 1.35 -0.34 3.55 1.81 -1.26 -4.85 118.95 120.50 1wpi s ARG 49 Ca 0.07 -0.70 -0.29 0.00 -1.72 0.00 0.00 55.73 53.09 1wpi s ARG 49 Cb -0.14 0.55 -0.00 0.00 -0.45 0.00 0.00 34.95 34.91 1wpi s ARG 49 CO 0.06 -0.58 1.51 -0.59 -0.68 0.00 0.00 175.30 175.02 1wpi s PHE 50 N -3.82 2.27 -1.21 -0.53 -0.71 -1.26 -4.71 117.98 108.01 1wpi s PHE 50 Ca 0.05 0.67 -0.09 0.00 -1.04 0.00 0.00 56.93 56.52 1wpi s PHE 50 Cb -0.01 -4.14 -0.07 0.00 -1.21 0.00 0.00 43.02 37.59 1wpi s PHE 50 CO -0.07 -2.32 2.43 -0.35 -1.34 0.00 0.00 175.22 173.56 1wpi n PRO 51 N 7.93 2.70 -1.96 1.99 -0.04 -1.26 -4.80 135.00 139.56 1wpi n PRO 51 Ca 0.18 -1.83 -0.29 0.00 -0.04 0.00 0.00 63.50 61.52 1wpi n PRO 51 Cb 0.47 -2.66 0.06 0.00 -0.04 0.00 0.00 33.50 31.33 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 3.04 2.79 0.57 0.52 -4.23 -1.26 -4.70 115.64 112.36 1wpi s THR 52 Ca 0.53 0.19 0.25 0.00 -1.18 0.00 0.00 61.69 61.48 1wpi s THR 52 Cb 0.14 -3.24 0.33 0.00 1.34 0.00 0.00 72.50 71.07 1wpi s THR 52 CO -0.04 -0.31 2.20 4.11 -0.54 0.00 0.00 174.62 180.04 1wpi h TRP 53 N -0.78 0.00 0.09 3.99 0.09 -1.93 0.65 115.95 118.06 1wpi h TRP 53 Ca -0.45 0.00 0.02 0.00 0.09 0.00 0.00 58.89 58.55 1wpi h TRP 53 Cb 1.29 0.00 -0.05 0.00 0.08 0.00 0.00 29.16 30.48 1wpi h TRP 53 CO 0.41 0.00 -0.46 -0.44 0.09 0.00 0.00 178.44 178.04 1wpi h ASP 54 N 0.00 -1.38 0.00 0.11 5.19 -1.93 1.30 116.42 119.70 1wpi h ASP 54 Ca 0.02 0.15 -0.07 0.00 -0.62 0.00 0.00 57.03 56.51 1wpi h ASP 54 Cb 0.09 0.52 -0.01 0.00 0.18 0.00 0.00 39.33 40.11 1wpi h ASP 54 CO -0.00 -0.51 -0.45 1.56 -3.12 0.00 0.00 179.24 176.72 1wpi h GLN 55 N -0.67 0.00 -0.61 3.56 4.20 -1.70 -3.31 115.11 116.57 1wpi h GLN 55 Ca 0.02 0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.91 1wpi h GLN 55 Cb 0.71 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1wpi h GLN 55 CO -0.28 0.77 0.56 1.37 -0.67 0.00 0.00 178.83 180.58 1wpi h LEU 56 N -1.00 0.00 -1.52 1.46 8.10 0.25 -1.12 115.31 121.48 1wpi h LEU 56 Ca -0.11 0.00 0.45 0.00 0.11 0.00 0.00 57.88 58.33 1wpi h LEU 56 Cb 0.92 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 41.06 1wpi h LEU 56 CO -0.07 0.00 1.07 1.67 -4.11 0.00 0.00 178.44 177.01 1wpi n GLN 57 N -3.88 -0.01 0.20 0.17 -0.06 0.45 0.18 117.38 114.42 1wpi n GLN 57 Ca 0.12 0.92 -0.14 0.00 -2.00 0.00 0.00 57.00 55.90 1wpi n GLN 57 Cb 0.79 -2.05 -0.08 0.00 -4.06 0.00 0.00 30.24 24.84 1wpi n GLN 57 CO 0.00 0.00 0.00 1.88 -0.20 0.00 0.00 177.06 178.74 1wpi h TYR 58 N 0.00 -0.47 0.00 3.69 -1.99 -1.44 -3.12 116.97 113.64 1wpi h TYR 58 Ca 0.76 -0.01 -0.13 0.00 2.00 0.00 0.00 58.73 61.36 1wpi h TYR 58 Cb 2.94 0.16 -0.02 0.00 2.00 0.00 0.00 36.73 41.81 1wpi h TYR 58 CO -0.00 -0.18 -0.60 0.52 -0.00 0.00 0.00 178.16 177.91 1wpi h MET 59 N -0.73 0.00 -0.91 4.88 2.86 0.16 -3.08 114.93 118.11 1wpi h MET 59 Ca -0.05 0.00 0.22 0.00 -2.06 0.00 0.00 59.70 57.81 1wpi h MET 59 Cb 0.51 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.10 1wpi h MET 59 CO 0.09 0.60 0.61 -0.09 1.06 0.00 0.00 176.91 179.18 1wpi h ARG 60 N 0.00 0.31 0.06 1.72 2.43 0.75 1.00 114.38 120.64 1wpi h ARG 60 Ca -0.01 -0.02 -0.25 0.00 -0.81 0.00 0.00 59.98 58.90 1wpi h ARG 60 Cb 1.38 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 1wpi h ARG 60 CO 0.08 0.20 -1.31 1.79 -1.51 0.00 0.00 179.97 179.22 1wpi h THR 61 N 0.32 0.98 0.00 0.20 1.35 -1.55 -3.32 112.91 110.89 1wpi h THR 61 Ca 0.47 -2.29 0.00 0.00 -0.55 0.00 0.00 66.41 64.05 1wpi h THR 61 Cb 1.32 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 70.26 1wpi h THR 61 CO -0.15 0.55 0.00 -1.20 -0.25 0.00 0.00 175.52 174.47 1wpi n SER 62 N -4.14 0.49 -3.65 5.36 7.64 -0.66 -4.54 113.62 114.12 1wpi n SER 62 Ca -0.28 0.69 -0.11 0.00 1.01 0.00 0.00 58.87 60.19 1wpi n SER 62 Cb 0.79 -0.77 -0.08 0.00 -1.01 0.00 0.00 64.21 63.14 1wpi n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wpi h PRO 64 N 6.09 0.25 -0.52 0.00 0.13 -1.80 -2.95 132.00 133.20 1wpi h PRO 64 Ca -0.30 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1wpi h PRO 64 Cb 1.19 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1wpi h PRO 64 CO 0.15 0.94 0.00 1.04 -0.23 0.00 0.00 178.00 179.89 1wpi n GLN 65 N -3.73 2.33 -0.07 0.86 6.02 -1.26 -4.23 117.38 117.30 1wpi n GLN 65 Ca -0.04 -1.60 -0.10 0.00 -0.01 0.00 0.00 57.00 55.26 1wpi n GLN 65 Cb 0.76 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.50 1wpi n GLN 65 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1wpi h GLY 66 N 4.90 0.38 0.25 1.08 0.00 -1.76 -1.08 103.07 106.86 1wpi h GLY 66 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 1wpi h GLY 66 CO 0.08 0.15 -0.02 -0.56 0.00 0.00 0.00 176.54 176.19 1wpi h PRO 67 N 0.34 -0.06 -0.78 4.80 0.13 -1.81 -3.15 132.00 131.48 1wpi h PRO 67 Ca 0.10 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 65.46 1wpi h PRO 67 Cb 0.00 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 1wpi h PRO 67 CO -0.02 0.56 0.72 -0.39 -0.23 0.00 0.00 178.00 178.64 1wpi h VAL 68 N -0.82 0.32 -0.12 1.56 -1.51 -1.78 1.60 116.25 115.50 1wpi h VAL 68 Ca -0.01 0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 65.30 1wpi h VAL 68 Cb 0.65 0.45 -0.01 0.00 -2.13 0.00 0.00 31.29 30.26 1wpi h VAL 68 CO 0.01 0.00 -0.63 -1.28 -1.23 0.00 0.00 177.57 174.44 1wpi h SER 69 N 0.00 0.49 0.27 4.19 0.87 -1.15 -0.23 113.55 117.99 1wpi h SER 69 Ca 0.37 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1wpi h SER 69 Cb 1.81 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.63 1wpi h SER 69 CO -0.00 0.99 -0.13 -0.07 -0.53 0.00 0.00 176.83 177.09 1wpi h LEU 70 N 0.31 -0.31 -1.34 2.23 3.38 0.23 0.61 115.31 120.42 1wpi h LEU 70 Ca -0.01 -0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.01 1wpi h LEU 70 Cb 1.18 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.94 1wpi h LEU 70 CO 0.11 0.17 0.56 0.06 0.09 0.00 0.00 178.44 179.43 1wpi h GLN 71 N -1.05 0.63 0.00 1.13 3.07 -1.16 0.58 115.11 118.30 1wpi h GLN 71 Ca -0.04 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.66 1wpi h GLN 71 Cb 0.38 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 27.80 1wpi h GLN 71 CO 0.06 0.42 0.00 0.00 0.09 0.00 0.00 178.83 179.40 1wpi h ARG 72 N 0.65 0.00 -0.50 0.06 2.47 -1.07 -3.22 114.38 112.77 1wpi h ARG 72 Ca 0.43 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 59.03 1wpi h ARG 72 Cb 0.72 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.03 1wpi h ARG 72 CO -0.19 0.00 -0.16 0.37 0.56 0.00 0.00 179.97 180.55 1wpi h GLN 73 N 0.00 0.99 -6.79 0.04 5.75 0.26 -3.43 115.11 111.92 1wpi h GLN 73 Ca 0.00 -0.40 -0.49 0.00 -0.15 0.00 0.00 58.65 57.62 1wpi h GLN 73 Cb 0.88 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.37 1wpi h GLN 73 CO 0.00 1.07 0.37 0.42 -2.65 0.00 0.00 178.83 178.04 1wpi s ILE 74 N -4.76 4.01 -0.92 2.39 1.01 -0.98 -4.73 121.20 117.22 1wpi s ILE 74 Ca -0.12 1.94 -0.07 0.00 0.00 0.00 0.00 60.65 62.41 1wpi s ILE 74 Cb 0.12 -4.20 -0.10 0.00 0.01 0.00 0.00 42.46 38.29 1wpi s ILE 74 CO 0.86 0.40 2.57 -0.81 0.00 0.00 0.00 174.94 177.96 1wpi n PRO 75 N 1.23 2.47 -1.11 2.79 -0.04 -1.26 -2.81 135.00 136.26 1wpi n PRO 75 Ca -0.01 -1.52 -0.01 0.00 -0.04 0.00 0.00 63.50 61.92 1wpi n PRO 75 Cb 0.47 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 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 3.61 0.11 -0.16 0.54 4.76 -1.26 -5.01 118.16 120.75 1wpi n LYS 76 Ca 0.53 -0.20 -0.10 0.00 -2.87 0.00 0.00 58.31 55.67 1wpi n LYS 76 Cb 0.30 0.30 -0.08 0.00 -1.84 0.00 0.00 35.03 33.71 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 0.08 -1.49 -1.50 -0.35 -0.00 -1.59 1.62 115.31 112.09 1wpi h LEU 77 Ca -0.09 0.20 0.43 0.00 -0.00 0.00 0.00 57.88 58.42 1wpi h LEU 77 Cb 0.85 0.62 -0.06 0.00 -0.00 0.00 0.00 40.66 42.07 1wpi h LEU 77 CO -0.04 -0.28 1.32 -0.78 -0.00 0.00 0.00 178.44 178.66 1wpi h ASP 78 N -0.23 0.00 0.00 0.17 3.58 -1.90 11.74 116.42 129.78 1wpi h ASP 78 Ca 0.07 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 1wpi h ASP 78 Cb 0.42 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 1wpi h ASP 78 CO -0.52 0.00 -0.41 -1.28 -2.88 0.00 0.00 179.24 174.15 1wpi h SER 79 N 0.00 0.00 0.18 2.28 0.87 0.17 -3.32 113.55 113.73 1wpi h SER 79 Ca 0.70 -0.10 -0.25 0.00 -1.23 0.00 0.00 61.79 60.92 1wpi h SER 79 Cb 3.33 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 65.32 1wpi h SER 79 CO -0.01 0.77 -1.09 1.62 -0.53 0.00 0.00 176.83 177.59 1wpi h VAL 80 N -1.00 1.40 0.00 2.23 3.04 0.44 1.00 116.25 123.36 1wpi h VAL 80 Ca -0.04 -2.59 0.00 0.00 -1.01 0.00 0.00 66.70 63.07 1wpi h VAL 80 Cb 0.46 3.12 0.00 0.00 -2.01 0.00 0.00 31.29 32.87 1wpi h VAL 80 CO -0.02 0.75 0.05 -0.11 -1.01 0.00 0.00 177.57 177.23 1wpi n LEU 81 N -3.97 0.00 0.00 3.16 7.94 3.64 -3.90 117.00 123.88 1wpi n LEU 81 Ca -0.16 0.28 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 1wpi n LEU 81 Cb 0.93 -0.28 0.00 0.00 0.53 0.00 0.00 43.42 44.60 1wpi n LEU 81 CO 0.53 -0.28 0.00 1.17 -1.11 0.00 0.00 177.39 177.69 1wpi n LYS 82 N -1.26 0.00 0.00 1.96 0.00 -1.09 -4.89 118.16 112.88 1wpi n LYS 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1wpi n LYS 82 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.08 1wpi n LYS 82 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1wpi n TYR 83 N -0.32 0.00 0.00 5.64 4.19 0.69 -5.05 117.16 122.31 1wpi n TYR 83 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1wpi n TYR 83 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 1wpi n TYR 83 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 1wpi n LYS 84 N 0.00 2.41 0.23 2.98 4.81 0.31 -3.66 118.16 125.24 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 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1wpi n LYS 84 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1wpi n HIS 85 N -0.18 0.00 0.21 5.64 8.25 -1.26 0.75 115.22 128.64 1wpi n HIS 85 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.55 1wpi n HIS 85 Cb 0.00 0.00 0.46 0.00 1.12 0.00 0.00 29.99 31.57 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 0.00 0.00 1.59 1.03 -1.72 -3.34 112.91 110.47 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 1.55 0.37 0.00 0.00 -1.07 0.00 0.00 68.15 69.00 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 -2.27 0.00 -0.78 0.00 2.03 0.23 -3.70 116.55 112.05 1wpi n ASP 87 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1wpi n ASP 87 Cb 0.37 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 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 -0.10 -0.67 -0.04 -1.26 -3.10 135.00 130.58 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 -1.23 -0.12 0.00 -0.04 0.00 0.00 33.50 32.11 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 0.14 1.02 0.00 0.52 1.03 -1.68 -3.41 112.91 110.53 1wpi h THR 89 Ca 0.00 -2.20 -0.09 0.00 -0.01 0.00 0.00 66.41 64.11 1wpi h THR 89 Cb 0.59 2.37 -0.02 0.00 -1.07 0.00 0.00 68.15 70.03 1wpi h THR 89 CO 0.00 0.36 -1.98 0.49 -0.01 0.00 0.00 175.52 174.37 1wpi n PHE 90 N -4.44 0.00 0.00 0.00 3.72 -1.22 -4.62 117.46 110.90 1wpi n PHE 90 Ca -0.29 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 1wpi n PHE 90 Cb 0.66 -0.56 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 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 1.53 -1.85 0.00 1.37 0.00 -1.18 0.24 105.19 105.30 1wpi n GLY 91 Ca -0.11 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1wpi n GLY 91 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wpi n MET 92 N 0.00 0.00 -4.01 1.61 -0.00 -1.26 -1.71 117.12 111.75 1wpi n MET 92 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.70 57.39 1wpi n MET 92 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 33.22 33.07 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 -3.47 4.71 0.01 3.17 1.01 -1.25 -4.61 116.67 116.24 1wpi s ASP 93 Ca 0.00 -2.28 0.05 0.00 0.71 0.00 0.00 52.55 51.03 1wpi s ASP 93 Cb 0.00 -1.63 -0.24 0.00 1.01 0.00 0.00 42.92 42.06 1wpi s ASP 93 CO 0.00 -0.36 0.89 0.25 0.21 0.00 0.00 175.17 176.16 1wpi h LEU 94 N 7.45 0.14 0.44 1.23 7.12 0.68 -3.31 115.31 129.06 1wpi h LEU 94 Ca -0.05 -0.21 -0.02 0.00 0.13 0.00 0.00 57.88 57.73 1wpi h LEU 94 Cb 1.00 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.09 1wpi h LEU 94 CO 0.55 1.18 -0.21 1.56 -0.13 0.00 0.00 178.44 181.38 1wpi h GLN 95 N 0.02 -0.57 -1.22 1.25 7.50 -1.85 0.96 115.11 121.21 1wpi h GLN 95 Ca -0.20 0.04 0.35 0.00 0.50 0.00 0.00 58.65 59.34 1wpi h GLN 95 Cb 1.95 0.13 -0.05 0.00 0.05 0.00 0.00 27.48 29.56 1wpi h GLN 95 CO 0.12 -0.28 1.04 0.87 -1.50 0.00 0.00 178.83 179.08 1wpi h LYS 96 N -1.04 0.00 0.09 1.46 1.79 -1.89 4.79 116.57 121.78 1wpi h LYS 96 Ca -0.06 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.05 1wpi h LYS 96 Cb 0.55 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.17 1wpi h LYS 96 CO 0.10 0.00 -2.07 0.00 -1.08 0.00 0.00 179.45 176.40 1wpi h VAL 98 N 0.05 0.00 -0.15 0.00 2.07 1.03 1.43 116.25 120.68 1wpi h VAL 98 Ca -0.44 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 66.44 1wpi h VAL 98 Cb 2.02 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1wpi h VAL 98 CO 0.06 0.00 0.45 1.56 0.02 0.00 0.00 177.57 179.66 1wpi h GLN 99 N -0.91 0.00 0.00 1.57 4.20 0.85 -3.36 115.11 117.45 1wpi h GLN 99 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1wpi h GLN 99 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1wpi h GLN 99 CO 0.04 0.00 0.00 -2.13 -0.67 0.00 0.00 178.83 176.07 1wpi n ARG 100 N -3.10 0.00 0.00 1.46 0.00 -1.19 -5.00 116.66 108.83 1wpi n ARG 100 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 1wpi n ARG 100 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.00 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 0.53 0.00 5.14 0.00 0.48 -4.13 105.19 107.22 1wpi n GLY 101 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.97 0.99 7.94 -0.70 -4.62 117.00 116.65 1wpi n LEU 102 Ca 0.00 0.08 -0.08 0.00 -1.11 0.00 0.00 56.01 54.90 1wpi n LEU 102 Cb 0.00 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.87 1wpi n LEU 102 CO 0.00 0.00 -0.21 0.86 -1.11 0.00 0.00 177.39 176.93 1wpi s TRP 103 N -0.95 0.33 -0.77 1.96 -0.00 -1.26 -5.09 118.94 113.16 1wpi s TRP 103 Ca 0.00 -0.81 -0.18 0.00 -0.00 0.00 0.00 56.10 55.11 1wpi s TRP 103 Cb 0.00 -0.21 0.14 0.00 -0.00 0.00 0.00 33.47 33.40 1wpi s TRP 103 CO 0.00 -0.47 0.89 0.54 -0.00 0.00 0.00 176.95 177.91 1wpi s ASN 104 N -2.89 6.48 0.55 5.86 2.20 -1.26 -4.51 114.94 121.37 1wpi s ASN 104 Ca 0.06 -1.91 0.00 0.00 -0.94 0.00 0.00 52.86 50.07 1wpi s ASN 104 Cb 0.06 -2.32 0.00 0.00 -2.00 0.00 0.00 41.25 36.99 1wpi s ASN 104 CO -0.10 -1.00 0.00 -0.81 -2.94 0.00 0.00 177.10 172.25 1wpi n PRO 105 N 5.97 0.17 -2.29 3.55 -0.04 -1.26 -4.91 135.00 136.19 1wpi n PRO 105 Ca 0.08 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.53 1wpi n PRO 105 Cb 0.46 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.01 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 -0.69 0.94 -4.40 0.54 -0.00 -1.18 -3.07 118.16 110.30 1wpi n LYS 106 Ca 0.00 -0.85 -0.24 0.00 -0.00 0.00 0.00 58.31 57.22 1wpi n LYS 106 Cb 0.00 0.31 -0.11 0.00 -0.00 0.00 0.00 35.03 35.23 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 0.09 1.47 0.04 -1.58 2.02 -1.23 -4.91 118.70 114.60 1wpi s GLU 107 Ca 0.06 -1.56 0.03 0.00 0.02 0.00 0.00 54.97 53.52 1wpi s GLU 107 Cb 0.31 -1.61 -0.02 0.00 0.10 0.00 0.00 34.13 32.90 1wpi s GLU 107 CO -0.09 0.33 -0.10 0.00 0.02 0.00 0.00 175.26 175.42 1wpi s ALA 108 N -2.10 0.75 -0.22 5.21 0.00 -1.26 -2.27 121.76 121.86 1wpi s ALA 108 Ca 0.22 -0.78 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 1wpi s ALA 108 Cb -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1wpi s ALA 108 CO 0.10 0.05 -0.07 -0.48 0.00 0.00 0.00 175.76 175.36 1wpi s LEU 109 N -1.47 2.80 -0.13 0.00 2.34 -0.95 -0.81 118.68 120.46 1wpi s LEU 109 Ca -0.06 -0.50 -0.04 0.00 0.06 0.00 0.00 54.13 53.58 1wpi s LEU 109 Cb -0.09 -1.68 -0.04 0.00 -0.56 0.00 0.00 46.19 43.82 1wpi s LEU 109 CO 0.01 -0.03 0.03 0.86 -1.06 0.00 0.00 176.35 176.15 1wpi s TRP 110 N 1.43 3.21 -0.26 3.48 -0.00 -0.91 0.12 118.94 126.00 1wpi s TRP 110 Ca 0.05 0.11 -0.13 0.00 -0.00 0.00 0.00 56.10 56.13 1wpi s TRP 110 Cb -0.14 -1.92 0.09 0.00 -0.00 0.00 0.00 33.47 31.50 1wpi s TRP 110 CO -0.05 0.31 0.61 0.14 -0.00 0.00 0.00 176.95 177.96 1wpi s VAL 111 N -0.31 -0.26 0.08 5.86 -7.23 0.39 -0.36 120.40 118.57 1wpi s VAL 111 Ca 0.07 0.03 0.03 0.00 -1.81 0.00 0.00 61.98 60.31 1wpi s VAL 111 Cb -0.12 -0.90 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 1wpi s VAL 111 CO 0.02 0.01 0.05 -0.62 -0.31 0.00 0.00 175.10 174.25 1wpi s ASP 112 N 1.93 5.34 0.00 4.85 -1.08 0.58 -0.79 116.67 127.51 1wpi s ASP 112 Ca -0.08 -0.06 0.00 0.00 -0.52 0.00 0.00 52.55 51.88 1wpi s ASP 112 Cb -0.08 -1.38 0.00 0.00 -1.46 0.00 0.00 42.92 40.00 1wpi s ASP 112 CO -0.18 0.18 0.54 1.87 0.52 0.00 0.00 175.17 178.11 1wpi n TRP 113 N 0.56 0.00 -0.03 -5.34 -0.00 -1.25 -2.00 117.44 109.38 1wpi n TRP 113 Ca -0.10 -0.07 -0.21 0.00 -0.00 0.00 0.00 57.50 57.12 1wpi n TRP 113 Cb 0.52 -0.01 -0.13 0.00 -0.00 0.00 0.00 31.31 31.69 1wpi n TRP 113 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 1wpi h GLU 114 N 0.00 0.16 -0.27 5.87 4.39 -1.93 -3.37 114.58 119.43 1wpi h GLU 114 Ca 0.00 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1wpi h GLU 114 Cb 0.10 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1wpi h GLU 114 CO 0.00 1.13 0.00 0.09 -1.16 0.00 0.00 179.01 179.07 1wpi n ASN 115 N -4.02 3.62 -3.70 1.42 4.13 -1.26 -4.88 115.26 110.56 1wpi n ASN 115 Ca -0.28 -2.77 -0.23 0.00 1.68 0.00 0.00 54.58 52.98 1wpi n ASN 115 Cb 0.84 -0.47 0.03 0.00 -1.54 0.00 0.00 39.78 38.65 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 -0.29 -3.98 -4.42 3.52 0.00 -1.26 -4.97 118.16 106.76 1wpi n LYS 116 Ca 0.19 0.58 -0.31 0.00 -0.00 0.00 0.00 58.31 58.76 1wpi n LYS 116 Cb 0.78 -4.97 -0.10 0.00 -0.00 0.00 0.00 35.03 30.73 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 -6.61 3.11 -0.13 -5.58 1.43 -0.85 -4.98 118.68 105.08 1wpi s LEU 117 Ca 0.10 -0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 52.85 1wpi s LEU 117 Cb -0.03 -1.81 0.04 0.00 0.03 0.00 0.00 46.19 44.41 1wpi s LEU 117 CO 0.83 0.26 0.38 -0.69 0.23 0.00 0.00 176.35 177.35 1wpi s VAL 118 N -1.04 0.01 0.11 -1.59 1.01 -1.26 0.22 120.40 117.85 1wpi s VAL 118 Ca 0.18 -0.06 -0.25 0.00 0.00 0.00 0.00 61.98 61.85 1wpi s VAL 118 Cb -0.11 -0.55 0.07 0.00 0.00 0.00 0.00 36.38 35.79 1wpi s VAL 118 CO 0.09 -0.03 0.78 -0.83 0.00 0.00 0.00 175.10 175.10 1wpi s GLY 119 N -0.01 -0.44 0.28 4.51 0.00 0.51 -4.97 107.32 107.20 1wpi s GLY 119 Ca -0.02 0.53 0.11 0.00 0.00 0.00 0.00 44.72 45.34 1wpi s GLY 119 CO 0.01 0.17 -0.16 0.54 0.00 0.00 0.00 173.10 173.66 1wpi s ASN 120 N -2.70 3.75 0.27 1.64 2.20 -1.26 -2.13 114.94 116.70 1wpi s ASN 120 Ca 0.05 -0.99 0.00 0.00 -0.94 0.00 0.00 52.86 50.99 1wpi s ASN 120 Cb -0.02 -0.39 0.00 0.00 -2.00 0.00 0.00 41.25 38.85 1wpi s ASN 120 CO -0.07 0.01 0.00 -0.62 -2.94 0.00 0.00 177.10 173.48 1wpi n GLU 121 N -0.68 -1.61 0.01 3.55 1.02 0.01 -3.83 120.64 119.12 1wpi n GLU 121 Ca -0.05 1.25 -0.18 0.00 -0.02 0.00 0.00 57.16 58.15 1wpi n GLU 121 Cb 0.60 -1.91 -0.10 0.00 -0.02 0.00 0.00 31.44 30.02 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 -0.70 0.64 -0.88 3.49 0.13 -1.94 -3.10 132.00 129.64 1wpi h PRO 122 Ca -0.07 -0.63 0.25 0.00 -0.87 0.00 0.00 66.00 64.69 1wpi h PRO 122 Cb 0.69 0.16 -0.04 0.00 0.13 0.00 0.00 31.00 31.94 1wpi h PRO 122 CO 0.03 1.23 0.73 0.00 -0.23 0.00 0.00 178.00 179.76 1wpi h ALA 123 N 0.43 2.75 -0.20 -0.56 0.00 -1.94 0.53 119.26 120.26 1wpi h ALA 123 Ca -0.09 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1wpi h ALA 123 Cb 1.48 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1wpi h ALA 123 CO 0.16 -1.18 0.12 0.22 0.00 0.00 0.00 179.25 178.57 1wpi h ASP 124 N 0.00 0.20 -0.13 0.00 3.58 -1.64 -1.99 116.42 116.44 1wpi h ASP 124 Ca 0.42 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.91 1wpi h ASP 124 Cb 1.87 -0.04 -0.07 0.00 1.72 0.00 0.00 39.33 42.81 1wpi h ASP 124 CO -0.00 0.15 -0.41 0.40 -2.88 0.00 0.00 179.24 176.49 1wpi h ILE 125 N 0.25 0.16 -0.52 2.25 2.04 -0.08 1.26 117.51 122.86 1wpi h ILE 125 Ca 0.08 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.02 1wpi h ILE 125 Cb -0.01 0.16 -0.10 0.00 -0.74 0.00 0.00 36.82 36.13 1wpi h ILE 125 CO -0.04 0.00 -0.44 -0.78 0.00 0.00 0.00 178.15 176.90 1wpi h ASP 126 N -0.49 -1.48 0.37 1.72 3.58 -1.42 2.86 116.42 121.56 1wpi h ASP 126 Ca 0.08 0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.76 1wpi h ASP 126 Cb 0.62 0.66 -0.01 0.00 1.72 0.00 0.00 39.33 42.32 1wpi h ASP 126 CO -0.39 -0.35 -0.30 0.11 -2.88 0.00 0.00 179.24 175.43 1wpi h LYS 127 N -0.26 -0.65 0.00 0.28 1.79 -0.54 -3.23 116.57 113.97 1wpi h LYS 127 Ca 0.16 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 1wpi h LYS 127 Cb 0.57 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1wpi h LYS 127 CO -0.65 -0.43 0.00 0.66 -1.08 0.00 0.00 179.45 177.95 1wpi n TYR 128 N -5.42 0.00 -3.75 -1.35 4.02 0.42 -4.78 117.16 106.30 1wpi n TYR 128 Ca -0.10 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.49 1wpi n TYR 128 Cb 0.32 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.50 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 -0.29 1.23 0.00 -0.72 -0.00 0.93 -4.81 121.20 117.55 1wpi s ILE 129 Ca 0.00 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.65 1wpi s ILE 129 Cb 0.00 -1.90 0.00 0.00 -0.00 0.00 0.00 42.46 40.56 1wpi s ILE 129 CO 0.00 -0.77 0.00 2.30 -0.00 0.00 0.00 174.94 176.47 1wpi n ILE 130 N 4.21 0.00 -0.08 8.37 -5.35 0.15 -4.26 119.36 122.40 1wpi n ILE 130 Ca 0.03 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.41 1wpi n ILE 130 Cb 0.39 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.20 1wpi n ILE 130 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wpi n GLN 131 N 0.00 0.82 -0.06 6.28 3.00 -1.26 -4.54 117.38 121.62 1wpi n GLN 131 Ca 0.00 0.07 -0.02 0.00 -0.01 0.00 0.00 57.00 57.04 1wpi n GLN 131 Cb 0.00 -1.35 -0.16 0.00 0.00 0.00 0.00 30.24 28.74 1wpi n GLN 131 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1wpi n ARG 132 N -2.86 0.67 0.00 -1.09 1.85 -0.36 -4.17 116.66 110.70 1wpi n ARG 132 Ca -0.28 -0.05 0.13 0.00 -1.00 0.00 0.00 57.85 56.64 1wpi n ARG 132 Cb 0.86 -1.55 0.76 0.00 -1.05 0.00 0.00 32.46 31.48 1wpi n ARG 132 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79