#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpi n SER 2 N 0.00 -0.86 -1.87 3.17 7.64 -1.26 -5.16 113.62 115.28 1wpi n SER 2 Ca 0.00 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1wpi n SER 2 Cb 0.00 0.96 0.00 0.00 -1.01 0.00 0.00 64.21 64.16 1wpi n SER 2 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1wpi n PHE 3 N -2.99 -4.88 -0.04 1.43 3.72 -1.26 -4.63 117.46 108.82 1wpi n PHE 3 Ca 0.00 2.54 -0.14 0.00 -0.05 0.00 0.00 57.45 59.81 1wpi n PHE 3 Cb 0.00 -3.73 -0.09 0.00 -0.94 0.00 0.00 39.48 34.73 1wpi n PHE 3 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 176.76 175.22 1wpi h TRP 4 N 2.89 0.34 0.04 1.38 -0.00 -2.01 -3.34 115.95 115.24 1wpi h TRP 4 Ca 0.00 -0.12 -0.20 0.00 -0.00 0.00 0.00 58.89 58.57 1wpi h TRP 4 Cb 0.00 -0.06 -0.02 0.00 -0.00 0.00 0.00 29.16 29.08 1wpi h TRP 4 CO 0.00 0.77 -1.06 0.87 -0.00 0.00 0.00 178.44 179.02 1wpi h LYS 5 N -0.20 0.08 -4.32 0.49 6.56 -1.92 -3.51 116.57 113.74 1wpi h LYS 5 Ca 0.00 -0.13 0.00 0.00 -1.06 0.00 0.00 60.65 59.46 1wpi h LYS 5 Cb 0.76 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.46 1wpi h LYS 5 CO 0.04 1.06 -0.99 2.41 -2.06 0.00 0.00 179.45 179.91 1wpi n THR 6 N -4.30 -8.76 -4.00 -0.16 -1.04 -1.26 -4.83 114.28 89.94 1wpi n THR 6 Ca -0.25 3.04 0.02 0.00 -2.04 0.00 0.00 64.05 64.81 1wpi n THR 6 Cb 0.71 -4.29 0.00 0.00 -1.82 0.00 0.00 70.33 64.93 1wpi n THR 6 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wpi n LEU 7 N 1.05 0.00 -4.17 -4.42 -0.00 -1.26 -4.70 117.00 103.49 1wpi n LEU 7 Ca 0.00 -0.03 -0.40 0.00 -0.00 0.00 0.00 56.01 55.58 1wpi n LEU 7 Cb 0.00 0.62 -0.08 0.00 -0.00 0.00 0.00 43.42 43.97 1wpi n LEU 7 CO 0.00 -0.01 0.12 -1.58 -0.00 0.00 0.00 177.39 175.92 1wpi s GLN 8 N -2.00 2.80 0.23 1.47 2.00 -1.26 -4.92 119.66 117.97 1wpi s GLN 8 Ca 0.13 -2.37 0.00 0.00 -2.00 0.00 0.00 55.36 51.12 1wpi s GLN 8 Cb -0.00 -3.94 0.00 0.00 0.80 0.00 0.00 33.01 29.87 1wpi s GLN 8 CO -0.01 -1.20 0.00 0.54 -0.50 0.00 0.00 175.29 174.12 1wpi n ARG 9 N 3.88 -4.55 -2.23 1.67 1.74 -1.26 -4.87 116.66 111.04 1wpi n ARG 9 Ca 0.06 3.29 -0.41 0.00 -0.77 0.00 0.00 57.85 60.02 1wpi n ARG 9 Cb 0.41 -3.51 -0.03 0.00 -1.02 0.00 0.00 32.46 28.30 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 -1.58 4.39 0.00 5.56 0.00 -1.26 -4.88 119.66 121.89 1wpi s GLN 10 Ca 0.00 2.04 0.00 0.00 -0.00 0.00 0.00 55.36 57.40 1wpi s GLN 10 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 33.01 29.81 1wpi s GLN 10 CO 0.00 -0.25 0.00 -0.35 0.00 0.00 0.00 175.29 174.69 1wpi n PRO 11 N 2.68 0.86 0.01 9.60 -0.04 -1.26 -4.88 135.00 141.97 1wpi n PRO 11 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1wpi n PRO 11 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 1wpi n PRO 11 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wpi n ARG 12 N -0.12 0.00 -3.10 0.54 1.74 -1.26 -4.98 116.66 109.48 1wpi n ARG 12 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 1wpi n ARG 12 Cb 0.00 -0.01 -0.06 0.00 -1.02 0.00 0.00 32.46 31.36 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 -1.12 4.95 -0.40 0.55 2.01 -1.26 -4.24 115.64 116.14 1wpi s THR 13 Ca 0.00 1.00 -0.16 0.00 0.31 0.00 0.00 61.69 62.85 1wpi s THR 13 Cb 0.00 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.55 1wpi s THR 13 CO 0.00 -0.07 0.36 -0.63 -0.69 0.00 0.00 174.62 173.60 1wpi s ILE 14 N 2.58 5.17 -0.49 1.82 -1.09 -1.19 -3.71 121.20 124.29 1wpi s ILE 14 Ca 0.26 -0.41 -0.15 0.00 -2.23 0.00 0.00 60.65 58.12 1wpi s ILE 14 Cb -0.15 -3.95 0.09 0.00 -1.58 0.00 0.00 42.46 36.87 1wpi s ILE 14 CO 0.10 -0.32 0.42 -0.44 -1.23 0.00 0.00 174.94 173.47 1wpi s SER 15 N 1.75 6.11 0.07 3.58 0.01 0.12 -1.89 113.70 123.45 1wpi s SER 15 Ca 0.09 -1.51 0.08 0.00 1.31 0.00 0.00 55.95 55.92 1wpi s SER 15 Cb -0.18 -2.17 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 1wpi s SER 15 CO 0.12 -0.71 -0.18 -0.76 0.41 0.00 0.00 173.24 172.12 1wpi s LEU 16 N 1.60 2.67 0.12 2.44 1.43 -0.69 -0.02 118.68 126.23 1wpi s LEU 16 Ca 0.04 -0.46 0.09 0.00 -1.03 0.00 0.00 54.13 52.77 1wpi s LEU 16 Cb -0.26 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1wpi s LEU 16 CO 0.05 0.23 -0.22 -0.36 0.23 0.00 0.00 176.35 176.28 1wpi s PHE 17 N -1.01 1.93 -0.11 0.29 0.40 -0.34 -2.84 117.98 116.30 1wpi s PHE 17 Ca 0.16 -0.41 -0.08 0.00 -0.60 0.00 0.00 56.93 56.00 1wpi s PHE 17 Cb -0.11 -1.04 -0.04 0.00 0.51 0.00 0.00 43.02 42.35 1wpi s PHE 17 CO 0.07 0.26 0.18 0.99 0.70 0.00 0.00 175.22 177.42 1wpi s THR 18 N -1.28 5.44 -0.40 0.64 2.01 0.57 -2.26 115.64 120.37 1wpi s THR 18 Ca 0.10 0.30 0.09 0.00 0.31 0.00 0.00 61.69 62.49 1wpi s THR 18 Cb -0.09 -3.44 0.30 0.00 0.01 0.00 0.00 72.50 69.27 1wpi s THR 18 CO 0.05 0.61 0.72 -3.20 -0.69 0.00 0.00 174.62 172.11 1wpi n ASN 19 N 1.99 -0.18 -1.28 3.53 4.05 -1.22 -3.75 115.26 118.40 1wpi n ASN 19 Ca -0.19 -3.01 0.14 0.00 0.45 0.00 0.00 54.58 51.97 1wpi n ASN 19 Cb 0.55 -0.06 -0.08 0.00 1.23 0.00 0.00 39.78 41.42 1wpi n ASN 19 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 1wpi n ASP 20 N 0.83 -6.42 0.00 1.20 -0.08 -1.26 -2.76 116.55 108.05 1wpi n ASP 20 Ca 0.20 1.16 0.00 0.00 -1.51 0.00 0.00 54.79 54.63 1wpi n ASP 20 Cb 0.62 -4.33 0.00 0.00 2.34 0.00 0.00 41.12 39.74 1wpi n ASP 20 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1wpi n ILE 21 N -4.09 0.00 0.00 5.18 -5.35 -0.71 -3.21 119.36 111.19 1wpi n ILE 21 Ca -0.07 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1wpi n ILE 21 Cb 0.57 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 1wpi n ILE 21 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wpi n ALA 22 N -3.00 0.00 -0.57 -1.28 0.00 -1.26 -4.79 120.51 109.61 1wpi n ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wpi n ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wpi n ALA 22 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wpi n SER 23 N 0.00 0.00 -4.53 0.00 7.64 -1.26 -3.33 113.62 112.14 1wpi n SER 23 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 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 -1.70 6.22 0.42 6.43 0.02 -1.26 -4.86 114.94 120.22 1wpi s ASN 24 Ca 0.00 -0.49 0.23 0.00 -1.02 0.00 0.00 52.86 51.58 1wpi s ASN 24 Cb 0.00 -2.51 1.21 0.00 0.02 0.00 0.00 41.25 39.97 1wpi s ASN 24 CO 0.00 -1.64 1.75 0.40 0.02 0.00 0.00 177.10 177.64 1wpi h ILE 25 N 6.03 0.45 0.00 0.60 1.08 -1.94 2.20 117.51 125.94 1wpi h ILE 25 Ca -0.28 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.08 1wpi h ILE 25 Cb 1.06 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 34.93 1wpi h ILE 25 CO 1.23 0.05 -0.16 0.07 -0.69 0.00 0.00 178.15 178.65 1wpi h LYS 26 N 0.29 0.00 0.24 2.37 2.10 -1.91 -3.21 116.57 116.46 1wpi h LYS 26 Ca 0.62 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.26 1wpi h LYS 26 Cb 1.77 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.09 1wpi h LYS 26 CO -0.28 0.15 -0.16 0.66 -2.00 0.00 0.00 179.45 177.83 1wpi h SER 27 N -1.00 -0.40 -1.79 7.07 4.64 -1.69 -1.94 113.55 118.44 1wpi h SER 27 Ca -0.01 0.02 0.55 0.00 -0.47 0.00 0.00 61.79 61.88 1wpi h SER 27 Cb 0.27 0.12 -0.10 0.00 -0.31 0.00 0.00 62.40 62.39 1wpi h SER 27 CO -0.01 -0.24 1.25 1.67 -0.87 0.00 0.00 176.83 178.64 1wpi n GLN 28 N -3.22 -0.01 0.00 4.77 -0.06 0.74 0.11 117.38 119.70 1wpi n GLN 28 Ca -0.05 1.15 0.00 0.00 -2.00 0.00 0.00 57.00 56.10 1wpi n GLN 28 Cb 0.16 -2.50 0.00 0.00 -4.06 0.00 0.00 30.24 23.84 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 -4.20 0.00 -0.10 3.69 4.81 -0.74 -3.54 118.16 118.09 1wpi n LYS 29 Ca 0.43 0.09 -0.18 0.00 -0.87 0.00 0.00 58.31 57.78 1wpi n LYS 29 Cb 1.88 -0.86 -0.08 0.00 0.02 0.00 0.00 35.03 35.99 1wpi n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wpi n LEU 31 N -4.44 0.11 0.05 0.00 7.99 0.29 0.54 117.00 121.55 1wpi n LEU 31 Ca -0.29 1.12 -0.09 0.00 -0.01 0.00 0.00 56.01 56.74 1wpi n LEU 31 Cb 0.61 -0.49 -0.13 0.00 -0.11 0.00 0.00 43.42 43.31 1wpi n LEU 31 CO 0.13 -1.20 -0.00 1.56 -1.51 0.00 0.00 177.39 176.37 1wpi h GLN 32 N 0.00 0.04 0.07 3.23 1.08 -1.01 -0.99 115.11 117.54 1wpi h GLN 32 Ca 0.50 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.63 1wpi h GLN 32 Cb 1.23 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 1wpi h GLN 32 CO -0.56 0.96 -0.03 1.25 -0.95 0.00 0.00 178.83 179.49 1wpi h LEU 33 N 0.01 -0.08 0.00 1.46 6.46 1.38 -2.92 115.31 121.62 1wpi h LEU 33 Ca -0.08 -0.43 0.00 0.00 -0.12 0.00 0.00 57.88 57.26 1wpi h LEU 33 Cb 1.84 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.79 1wpi h LEU 33 CO 0.13 0.41 0.00 0.18 -0.62 0.00 0.00 178.44 178.54 1wpi n LEU 34 N -4.90 0.00 0.17 2.25 4.32 0.49 -3.26 117.00 116.06 1wpi n LEU 34 Ca -0.08 0.50 0.06 0.00 -0.02 0.00 0.00 56.01 56.46 1wpi n LEU 34 Cb 0.26 -0.50 0.33 0.00 -1.62 0.00 0.00 43.42 41.89 1wpi n LEU 34 CO 0.32 -0.07 0.80 2.29 -1.22 0.00 0.00 177.39 179.51 1wpi n LYS 35 N -1.50 0.09 0.00 3.23 -0.00 -0.37 -2.29 118.16 117.32 1wpi n LYS 35 Ca 0.06 0.57 0.00 0.00 -0.00 0.00 0.00 58.31 58.94 1wpi n LYS 35 Cb 0.29 -2.11 0.00 0.00 -0.00 0.00 0.00 35.03 33.21 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 -1.27 -1.17 3.68 2.58 0.00 -1.20 -4.97 105.19 102.84 1wpi n GLY 36 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1wpi n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wpi s ASP 37 N -1.81 3.98 -0.28 1.61 1.11 -0.97 -5.08 116.67 115.23 1wpi s ASP 37 Ca 0.00 -1.50 -0.37 0.00 0.18 0.00 0.00 52.55 50.86 1wpi s ASP 37 Cb 0.00 0.02 0.16 0.00 1.07 0.00 0.00 42.92 44.17 1wpi s ASP 37 CO 0.00 -0.64 1.35 0.54 1.18 0.00 0.00 175.17 177.61 1wpi s VAL 38 N -2.79 0.00 0.00 -1.27 0.11 -1.26 -3.92 120.40 111.27 1wpi s VAL 38 Ca 0.22 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.27 1wpi s VAL 38 Cb 0.06 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 1wpi s VAL 38 CO 0.11 0.00 0.00 -0.24 -3.33 0.00 0.00 175.10 171.64 1wpi n SER 39 N 0.05 0.00 -3.82 3.54 2.88 -1.26 -4.92 113.62 110.10 1wpi n SER 39 Ca 0.04 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.13 1wpi n SER 39 Cb 0.57 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.91 1wpi n SER 39 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1wpi n HIS 40 N -1.54 0.79 0.09 0.66 8.25 -1.26 -4.33 115.22 117.88 1wpi n HIS 40 Ca 0.00 0.53 0.00 0.00 -0.26 0.00 0.00 57.72 57.99 1wpi n HIS 40 Cb 0.00 -2.04 0.00 0.00 1.12 0.00 0.00 29.99 29.07 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 6.95 0.00 -3.79 -0.41 5.12 -1.26 -4.94 116.66 118.33 1wpi n ARG 41 Ca 0.52 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 56.38 1wpi n ARG 41 Cb -0.01 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.27 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 -1.38 -0.20 -0.29 -1.55 -0.71 -1.22 -4.85 117.98 107.78 1wpi s PHE 42 Ca 0.00 -0.19 -0.13 0.00 -1.04 0.00 0.00 56.93 55.57 1wpi s PHE 42 Cb 0.00 0.67 -0.04 0.00 -1.21 0.00 0.00 43.02 42.45 1wpi s PHE 42 CO 0.00 -1.07 0.28 -0.51 -1.34 0.00 0.00 175.22 172.58 1wpi s ASP 43 N -2.90 6.12 -0.18 1.98 1.01 -1.26 -4.89 116.67 116.55 1wpi s ASP 43 Ca 0.11 0.03 -0.16 0.00 0.71 0.00 0.00 52.55 53.24 1wpi s ASP 43 Cb -0.04 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 1wpi s ASP 43 CO 0.04 -0.15 0.41 -0.69 0.21 0.00 0.00 175.17 174.99 1wpi s VAL 44 N 1.90 5.20 -0.34 -1.27 1.01 -1.26 -3.17 120.40 122.47 1wpi s VAL 44 Ca 0.10 0.75 -0.12 0.00 0.00 0.00 0.00 61.98 62.71 1wpi s VAL 44 Cb -0.16 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1wpi s VAL 44 CO 0.11 0.27 0.22 -1.61 0.00 0.00 0.00 175.10 174.10 1wpi s GLU 45 N 1.12 3.38 -0.39 2.72 2.02 -0.79 -5.03 118.70 121.73 1wpi s GLU 45 Ca 0.20 -0.71 -0.07 0.00 0.02 0.00 0.00 54.97 54.41 1wpi s GLU 45 Cb -0.15 -3.76 0.08 0.00 0.10 0.00 0.00 34.13 30.40 1wpi s GLU 45 CO 0.08 -0.48 0.20 0.42 0.02 0.00 0.00 175.26 175.51 1wpi s ILE 46 N 1.69 3.88 -0.01 -1.63 1.09 -1.26 -1.71 121.20 123.25 1wpi s ILE 46 Ca 0.05 -1.48 -0.01 0.00 -1.10 0.00 0.00 60.65 58.12 1wpi s ILE 46 Cb -0.18 -3.39 0.01 0.00 -1.06 0.00 0.00 42.46 37.85 1wpi s ILE 46 CO 0.09 -0.46 0.03 0.00 -0.10 0.00 0.00 174.94 174.51 1wpi s ALA 47 N 1.35 -0.03 -0.31 9.38 0.00 -1.13 -4.99 121.76 126.03 1wpi s ALA 47 Ca 0.03 0.16 -0.18 0.00 0.00 0.00 0.00 51.96 51.96 1wpi s ALA 47 Cb -0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 1wpi s ALA 47 CO 0.01 -0.05 0.54 0.54 0.00 0.00 0.00 175.76 176.80 1wpi s ASN 48 N 0.36 6.40 0.00 0.00 2.20 -1.26 -0.31 114.94 122.32 1wpi s ASN 48 Ca -0.03 0.28 -0.29 0.00 -0.94 0.00 0.00 52.86 51.89 1wpi s ASN 48 Cb -0.04 -2.29 0.10 0.00 -2.00 0.00 0.00 41.25 37.02 1wpi s ASN 48 CO -0.01 -0.41 0.92 -0.60 -2.94 0.00 0.00 177.10 174.06 1wpi s ARG 49 N 2.42 0.83 0.15 3.55 6.06 -1.25 -4.55 118.95 126.16 1wpi s ARG 49 Ca 0.21 -0.33 -0.30 0.00 -2.50 0.00 0.00 55.73 52.81 1wpi s ARG 49 Cb -0.15 0.37 -0.07 0.00 0.06 0.00 0.00 34.95 35.15 1wpi s ARG 49 CO 0.11 -0.36 1.21 0.12 -2.50 0.00 0.00 175.30 173.88 1wpi s PHE 50 N -3.09 3.42 -1.19 5.12 5.36 -1.14 -4.61 117.98 121.85 1wpi s PHE 50 Ca 0.06 1.36 -0.10 0.00 -0.96 0.00 0.00 56.93 57.29 1wpi s PHE 50 Cb -0.01 -3.45 -0.07 0.00 -0.34 0.00 0.00 43.02 39.16 1wpi s PHE 50 CO -0.08 -1.31 2.38 -0.35 -1.46 0.00 0.00 175.22 174.41 1wpi n PRO 51 N 2.96 2.63 -1.71 10.12 -0.04 -1.26 -4.85 135.00 142.86 1wpi n PRO 51 Ca 0.06 -1.87 -0.42 0.00 -0.04 0.00 0.00 63.50 61.23 1wpi n PRO 51 Cb 0.45 -2.71 -0.03 0.00 -0.04 0.00 0.00 33.50 31.17 1wpi n PRO 51 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wpi n THR 52 N 4.30 0.13 0.25 0.52 -2.24 -1.26 -4.82 114.28 111.16 1wpi n THR 52 Ca 0.57 -0.02 0.15 0.00 -2.27 0.00 0.00 64.05 62.48 1wpi n THR 52 Cb 0.22 -2.04 0.78 0.00 -2.10 0.00 0.00 70.33 67.18 1wpi n THR 52 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 1wpi h TRP 53 N 7.43 0.00 -0.36 4.78 6.55 -1.93 -2.37 115.95 130.05 1wpi h TRP 53 Ca -0.44 0.00 0.07 0.00 0.95 0.00 0.00 58.89 59.47 1wpi h TRP 53 Cb 1.21 0.00 -0.09 0.00 -0.86 0.00 0.00 29.16 29.42 1wpi h TRP 53 CO 0.69 0.00 -0.40 0.22 -1.05 0.00 0.00 178.44 177.90 1wpi h ASP 54 N 0.00 -1.33 0.15 -3.49 3.58 -1.98 6.47 116.42 119.82 1wpi h ASP 54 Ca 0.00 0.20 -0.28 0.00 0.42 0.00 0.00 57.03 57.37 1wpi h ASP 54 Cb 0.08 0.58 0.01 0.00 1.72 0.00 0.00 39.33 41.72 1wpi h ASP 54 CO 0.00 -0.37 -1.38 1.56 -2.88 0.00 0.00 179.24 176.17 1wpi h GLN 55 N -0.34 0.31 0.00 0.28 7.50 -1.86 -3.27 115.11 117.73 1wpi h GLN 55 Ca 0.14 -0.53 0.00 0.00 0.50 0.00 0.00 58.65 58.76 1wpi h GLN 55 Cb 0.58 0.20 0.00 0.00 0.05 0.00 0.00 27.48 28.31 1wpi h GLN 55 CO -0.54 1.25 0.00 -0.07 -1.50 0.00 0.00 178.83 177.98 1wpi h LEU 56 N -0.20 0.00 -1.53 1.46 4.07 -1.20 -2.99 115.31 114.93 1wpi h LEU 56 Ca -0.28 0.00 0.44 0.00 0.08 0.00 0.00 57.88 58.12 1wpi h LEU 56 Cb 1.84 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 43.52 1wpi h LEU 56 CO 0.12 0.00 1.30 1.67 -1.08 0.00 0.00 178.44 180.44 1wpi n GLN 57 N -2.80 0.01 0.04 1.13 -0.06 2.09 0.15 117.38 117.94 1wpi n GLN 57 Ca -0.00 1.02 -0.12 0.00 -2.00 0.00 0.00 57.00 55.89 1wpi n GLN 57 Cb 0.19 -2.42 -0.09 0.00 -4.06 0.00 0.00 30.24 23.86 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 -0.16 0.02 3.69 0.05 -1.74 -3.10 116.97 115.73 1wpi h TYR 58 Ca 0.73 -0.00 -0.23 0.00 0.05 0.00 0.00 58.73 59.27 1wpi h TYR 58 Cb 3.31 0.05 0.00 0.00 1.01 0.00 0.00 36.73 41.10 1wpi h TYR 58 CO 0.00 0.30 -0.98 0.52 -1.05 0.00 0.00 178.16 176.95 1wpi h MET 59 N -0.72 0.37 -0.21 4.88 2.86 0.11 -3.04 114.93 119.19 1wpi h MET 59 Ca -0.02 -0.43 0.06 0.00 -2.06 0.00 0.00 59.70 57.26 1wpi h MET 59 Cb 0.53 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1wpi h MET 59 CO 0.03 1.11 0.31 -0.09 1.06 0.00 0.00 176.91 179.33 1wpi h ARG 60 N 0.20 0.00 0.09 1.72 2.43 0.11 0.57 114.38 119.50 1wpi h ARG 60 Ca -0.08 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.82 1wpi h ARG 60 Cb 1.63 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.17 1wpi h ARG 60 CO 0.17 0.00 -1.36 1.79 -1.51 0.00 0.00 179.97 179.05 1wpi h THR 61 N 0.00 1.01 0.00 0.20 1.35 -1.46 -3.33 112.91 110.68 1wpi h THR 61 Ca 0.10 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.61 1wpi h THR 61 Cb 0.72 2.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.76 1wpi h THR 61 CO -0.00 0.64 0.00 0.28 -0.25 0.00 0.00 175.52 176.19 1wpi h SER 62 N -0.45 0.00 -3.64 5.36 0.02 -1.00 -3.41 113.55 110.44 1wpi h SER 62 Ca -0.31 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.10 1wpi h SER 62 Cb 1.65 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.87 1wpi h SER 62 CO 0.00 0.00 -0.83 0.00 -1.14 0.00 0.00 176.83 174.86 1wpi h PRO 64 N 6.60 0.29 -0.61 0.00 0.13 -1.80 -3.01 132.00 133.60 1wpi h PRO 64 Ca -0.31 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1wpi h PRO 64 Cb 1.19 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1wpi h PRO 64 CO 0.48 0.97 0.00 1.04 -0.23 0.00 0.00 178.00 180.25 1wpi n GLN 65 N -3.74 2.73 -0.07 0.86 6.02 -1.26 -4.33 117.38 117.59 1wpi n GLN 65 Ca -0.04 -2.20 -0.10 0.00 -0.01 0.00 0.00 57.00 54.65 1wpi n GLN 65 Cb 0.77 -1.59 -0.03 0.00 1.02 0.00 0.00 30.24 30.41 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 4.62 0.37 0.25 1.08 0.00 -1.77 0.11 103.07 107.73 1wpi h GLY 66 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1wpi h GLY 66 CO 0.08 0.15 -0.12 -0.56 0.00 0.00 0.00 176.54 176.09 1wpi h PRO 67 N 0.32 -0.32 -1.08 4.80 0.13 -1.79 -3.13 132.00 130.92 1wpi h PRO 67 Ca 0.09 0.02 0.31 0.00 -0.87 0.00 0.00 66.00 65.56 1wpi h PRO 67 Cb 0.02 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 31.18 1wpi h PRO 67 CO -0.02 -0.20 0.82 -0.39 -0.23 0.00 0.00 178.00 177.99 1wpi h VAL 68 N -1.08 0.38 -0.21 1.56 -1.51 -1.80 1.73 116.25 115.31 1wpi h VAL 68 Ca -0.03 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.35 1wpi h VAL 68 Cb 0.27 0.41 -0.01 0.00 -2.13 0.00 0.00 31.29 29.83 1wpi h VAL 68 CO 0.06 0.00 -0.25 -1.28 -1.23 0.00 0.00 177.57 174.86 1wpi h SER 69 N 0.00 0.40 0.06 4.19 0.87 -0.79 0.71 113.55 119.00 1wpi h SER 69 Ca 0.51 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1wpi h SER 69 Cb 2.15 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 64.00 1wpi h SER 69 CO -0.01 0.66 -0.03 -0.07 -0.53 0.00 0.00 176.83 176.85 1wpi h LEU 70 N 0.36 -0.07 -1.05 2.23 3.38 0.26 0.21 115.31 120.62 1wpi h LEU 70 Ca 0.05 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 1wpi h LEU 70 Cb 0.64 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1wpi h LEU 70 CO 0.05 0.62 0.39 1.56 0.09 0.00 0.00 178.44 181.14 1wpi h GLN 71 N -0.86 1.06 0.00 1.13 4.20 -1.17 -0.89 115.11 118.58 1wpi h GLN 71 Ca -0.01 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1wpi h GLN 71 Cb 0.62 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1wpi h GLN 71 CO 0.01 0.79 -0.05 0.00 -0.67 0.00 0.00 178.83 178.91 1wpi h ARG 72 N 1.06 0.00 -0.41 1.46 2.47 0.38 -3.24 114.38 116.10 1wpi h ARG 72 Ca 0.26 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.85 1wpi h ARG 72 Cb 0.06 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 1wpi h ARG 72 CO -0.04 0.00 -0.27 0.37 0.56 0.00 0.00 179.97 180.60 1wpi h GLN 73 N 0.00 0.91 -7.42 0.04 -0.00 0.87 -3.45 115.11 106.06 1wpi h GLN 73 Ca 0.00 -0.43 -0.48 0.00 -0.00 0.00 0.00 58.65 57.75 1wpi h GLN 73 Cb 0.82 -0.01 0.12 0.00 0.00 0.00 0.00 27.48 28.41 1wpi h GLN 73 CO 0.00 1.08 0.31 -1.50 0.00 0.00 0.00 178.83 178.72 1wpi s ILE 74 N -4.55 2.65 -0.03 2.39 2.07 -1.03 -4.74 121.20 117.95 1wpi s ILE 74 Ca -0.12 0.21 -0.05 0.00 -1.41 0.00 0.00 60.65 59.28 1wpi s ILE 74 Cb 0.11 -2.91 -0.03 0.00 0.13 0.00 0.00 42.46 39.76 1wpi s ILE 74 CO 0.86 -0.27 0.33 1.55 -1.91 0.00 0.00 174.94 175.50 1wpi h PRO 75 N -1.31 -0.18 -3.45 3.50 0.13 -1.86 -3.34 132.00 125.49 1wpi h PRO 75 Ca -0.49 0.01 -0.33 0.00 -0.87 0.00 0.00 66.00 64.33 1wpi h PRO 75 Cb 1.29 0.04 0.01 0.00 0.13 0.00 0.00 31.00 32.48 1wpi h PRO 75 CO 0.59 -0.12 2.34 1.63 -0.23 0.00 0.00 178.00 182.22 1wpi n LYS 76 N -3.60 1.84 0.19 0.86 5.02 -1.26 -4.58 118.16 116.63 1wpi n LYS 76 Ca -0.02 -1.32 -0.17 0.00 -2.02 0.00 0.00 58.31 54.78 1wpi n LYS 76 Cb 0.07 -2.38 -0.10 0.00 -0.02 0.00 0.00 35.03 32.61 1wpi n LYS 76 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1wpi h LEU 77 N 8.35 -1.44 -1.59 -0.35 4.07 -1.75 0.26 115.31 122.85 1wpi h LEU 77 Ca 0.43 0.13 0.42 0.00 0.08 0.00 0.00 57.88 58.94 1wpi h LEU 77 Cb 0.17 0.51 -0.06 0.00 1.08 0.00 0.00 40.66 42.36 1wpi h LEU 77 CO 1.35 -0.59 1.25 -0.78 -1.08 0.00 0.00 178.44 178.59 1wpi h ASP 78 N -0.84 0.00 0.07 -0.43 3.58 -1.88 12.96 116.42 129.88 1wpi h ASP 78 Ca -0.03 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 1wpi h ASP 78 Cb 0.78 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.83 1wpi h ASP 78 CO -0.17 0.00 -0.03 0.77 -2.88 0.00 0.00 179.24 176.93 1wpi h SER 79 N 0.00 -0.08 0.92 2.28 4.64 -0.93 -3.28 113.55 117.10 1wpi h SER 79 Ca 0.68 -0.06 -0.21 0.00 -0.47 0.00 0.00 61.79 61.74 1wpi h SER 79 Cb 3.18 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 65.26 1wpi h SER 79 CO -0.01 0.44 -0.97 1.62 -0.87 0.00 0.00 176.83 177.04 1wpi h VAL 80 N -1.02 1.67 0.00 0.95 3.04 0.18 0.58 116.25 121.64 1wpi h VAL 80 Ca -0.01 -3.23 0.00 0.00 -1.01 0.00 0.00 66.70 62.45 1wpi h VAL 80 Cb 0.13 2.77 0.00 0.00 -2.01 0.00 0.00 31.29 32.18 1wpi h VAL 80 CO 0.02 0.93 0.01 -0.11 -1.01 0.00 0.00 177.57 177.40 1wpi n LEU 81 N -3.42 0.00 0.00 3.16 -0.00 4.00 -4.23 117.00 116.51 1wpi n LEU 81 Ca -0.01 0.46 0.00 0.00 -0.00 0.00 0.00 56.01 56.46 1wpi n LEU 81 Cb 0.91 -0.46 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 1wpi n LEU 81 CO 0.47 -0.46 0.00 1.17 -0.00 0.00 0.00 177.39 178.57 1wpi n LYS 82 N -1.46 0.00 0.00 1.96 0.00 -1.14 -4.94 118.16 112.58 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 0.01 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.04 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 -0.17 0.00 0.00 5.64 9.36 -0.11 -5.07 117.16 126.82 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 0.08 0.00 0.00 -0.63 0.00 0.00 39.34 38.79 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 2.26 0.24 2.98 4.81 0.18 -3.68 118.16 124.95 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 0.15 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.20 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 -0.16 0.00 0.19 5.64 8.25 -1.26 0.10 115.22 127.98 1wpi n HIS 85 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.54 1wpi n HIS 85 Cb 0.00 0.00 0.43 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.73 -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 1.54 0.35 0.00 0.00 -1.07 0.00 0.00 68.15 68.97 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 -2.18 0.00 -0.43 0.00 2.03 0.29 -3.72 116.55 112.54 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 0.32 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 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 -0.06 -0.67 -0.04 -1.26 -3.16 135.00 130.56 1wpi n PRO 88 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 1wpi n PRO 88 Cb 0.00 -1.33 -0.13 0.00 -0.04 0.00 0.00 33.50 32.00 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 1.77 0.00 0.52 1.03 -1.68 -3.38 112.91 111.17 1wpi h THR 89 Ca 0.00 -2.30 -0.05 0.00 -0.01 0.00 0.00 66.41 64.05 1wpi h THR 89 Cb 0.33 3.33 -0.01 0.00 -1.07 0.00 0.00 68.15 70.73 1wpi h THR 89 CO 0.00 0.60 -2.03 0.49 -0.01 0.00 0.00 175.52 174.57 1wpi n PHE 90 N -4.60 0.00 -0.25 0.00 3.72 -1.22 -4.25 117.46 110.86 1wpi n PHE 90 Ca -0.10 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.27 1wpi n PHE 90 Cb 0.48 -0.56 0.03 0.00 -0.94 0.00 0.00 39.48 38.49 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 1.36 -0.95 2.66 1.37 0.00 -1.19 -1.37 105.19 107.08 1wpi n GLY 91 Ca -0.08 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 0.03 0.00 -3.64 1.61 -0.00 -1.26 -2.47 117.12 111.39 1wpi n MET 92 Ca 0.01 0.00 -0.39 0.00 -0.00 0.00 0.00 57.70 57.32 1wpi n MET 92 Cb 0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 33.22 33.18 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 -1.78 5.54 0.24 3.17 1.11 -1.26 -2.88 116.67 120.82 1wpi s ASP 93 Ca 0.00 -1.76 0.12 0.00 0.18 0.00 0.00 52.55 51.09 1wpi s ASP 93 Cb 0.00 -1.95 0.09 0.00 1.07 0.00 0.00 42.92 42.13 1wpi s ASP 93 CO 0.00 -0.58 1.45 0.25 1.18 0.00 0.00 175.17 177.46 1wpi h LEU 94 N 8.33 0.00 -1.88 1.23 5.85 -0.89 -3.18 115.31 124.75 1wpi h LEU 94 Ca -0.20 0.00 0.33 0.00 0.84 0.00 0.00 57.88 58.85 1wpi h LEU 94 Cb 1.07 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 1wpi h LEU 94 CO 0.77 0.67 0.82 -0.61 -0.34 0.00 0.00 178.44 179.75 1wpi h GLN 95 N 0.00 0.06 -0.45 1.25 5.75 -1.84 1.51 115.11 121.40 1wpi h GLN 95 Ca -0.01 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1wpi h GLN 95 Cb 1.42 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.93 1wpi h GLN 95 CO 0.09 0.04 0.17 0.87 -2.65 0.00 0.00 178.83 177.35 1wpi h LYS 96 N 0.07 0.64 0.00 1.69 1.79 -1.86 0.54 116.57 119.42 1wpi h LYS 96 Ca 0.57 -0.09 -0.18 0.00 -2.18 0.00 0.00 60.65 58.78 1wpi h LYS 96 Cb 2.15 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 32.65 1wpi h LYS 96 CO -0.06 0.53 -1.31 0.00 -1.08 0.00 0.00 179.45 177.53 1wpi h VAL 98 N 0.00 0.00 0.00 0.00 2.07 0.74 -2.09 116.25 116.97 1wpi h VAL 98 Ca -0.15 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1wpi h VAL 98 Cb 1.63 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1wpi h VAL 98 CO 0.06 0.00 0.44 0.00 0.02 0.00 0.00 177.57 178.08 1wpi n GLN 99 N -2.49 0.03 0.00 1.57 1.13 0.18 -4.43 117.38 113.37 1wpi n GLN 99 Ca 0.04 0.36 0.00 0.00 -1.94 0.00 0.00 57.00 55.45 1wpi n GLN 99 Cb 0.37 -2.03 0.00 0.00 0.11 0.00 0.00 30.24 28.69 1wpi n GLN 99 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1wpi n ARG 100 N -1.57 0.00 0.00 -1.09 0.00 -1.21 -5.11 116.66 107.68 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 0.44 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.90 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 0.65 0.00 5.14 0.00 -0.79 -4.75 105.19 105.44 1wpi n GLY 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wpi n GLY 101 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wpi n LEU 102 N 0.00 0.00 -4.05 0.99 -0.00 -1.21 -4.23 117.00 108.50 1wpi n LEU 102 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.92 1wpi n LEU 102 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 1wpi n LEU 102 CO 0.00 0.00 -0.17 0.26 -0.00 0.00 0.00 177.39 177.48 1wpi s TRP 103 N 0.00 0.62 -0.88 1.96 0.52 -1.26 -5.06 118.94 114.84 1wpi s TRP 103 Ca 0.00 -1.00 -0.09 0.00 0.02 0.00 0.00 56.10 55.03 1wpi s TRP 103 Cb 0.00 -0.27 0.23 0.00 -1.15 0.00 0.00 33.47 32.27 1wpi s TRP 103 CO 0.00 -0.61 0.81 -0.80 0.02 0.00 0.00 176.95 176.37 1wpi s ASN 104 N -3.00 6.55 0.94 2.95 -0.87 -1.26 -4.62 114.94 115.63 1wpi s ASN 104 Ca 0.20 -3.11 -0.13 0.00 -1.57 0.00 0.00 52.86 48.25 1wpi s ASN 104 Cb 0.06 -2.11 0.16 0.00 -0.02 0.00 0.00 41.25 39.33 1wpi s ASN 104 CO 0.00 -0.41 1.15 -2.16 -2.57 0.00 0.00 177.10 173.12 1wpi s PRO 105 N -0.47 0.90 -0.33 -0.60 0.04 -1.26 -4.92 135.00 128.36 1wpi s PRO 105 Ca 0.22 0.20 0.14 0.00 0.04 0.00 0.00 61.00 61.60 1wpi s PRO 105 Cb -0.11 -1.82 0.42 0.00 0.04 0.00 0.00 34.50 33.03 1wpi s PRO 105 CO -0.08 -2.34 1.50 1.63 0.04 0.00 0.00 177.00 177.74 1wpi n LYS 106 N -3.85 1.40 -4.41 4.56 4.01 -1.11 -1.73 118.16 117.03 1wpi n LYS 106 Ca 0.08 -1.47 -0.28 0.00 -0.51 0.00 0.00 58.31 56.14 1wpi n LYS 106 Cb 0.59 0.20 -0.12 0.00 -0.51 0.00 0.00 35.03 35.19 1wpi n LYS 106 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1wpi s GLU 107 N -0.31 1.49 0.00 1.97 0.41 -1.20 -4.85 118.70 116.22 1wpi s GLU 107 Ca 0.11 -1.45 0.05 0.00 -0.41 0.00 0.00 54.97 53.27 1wpi s GLU 107 Cb 0.43 -1.88 -0.03 0.00 -1.78 0.00 0.00 34.13 30.88 1wpi s GLU 107 CO -0.12 0.42 -0.16 0.00 -0.49 0.00 0.00 175.26 174.91 1wpi s ALA 108 N -1.44 2.65 -0.15 5.21 0.00 -1.26 -3.37 121.76 123.40 1wpi s ALA 108 Ca 0.18 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.00 1wpi s ALA 108 Cb -0.09 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 1wpi s ALA 108 CO 0.09 0.57 0.02 -0.51 0.00 0.00 0.00 175.76 175.92 1wpi s LEU 109 N -1.13 3.59 -0.10 0.00 1.43 -0.96 -1.54 118.68 119.96 1wpi s LEU 109 Ca 0.14 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1wpi s LEU 109 Cb -0.11 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.26 1wpi s LEU 109 CO 0.03 0.23 -0.10 0.86 0.23 0.00 0.00 176.35 177.61 1wpi s TRP 110 N 0.03 1.55 -0.02 0.29 -0.00 -1.07 -1.20 118.94 118.51 1wpi s TRP 110 Ca 0.03 -0.74 -0.00 0.00 -0.00 0.00 0.00 56.10 55.39 1wpi s TRP 110 Cb -0.13 -1.23 0.03 0.00 -0.00 0.00 0.00 33.47 32.14 1wpi s TRP 110 CO 0.02 -0.47 0.03 0.14 -0.00 0.00 0.00 176.95 176.67 1wpi s VAL 111 N 1.41 -0.05 -0.11 5.86 -7.23 0.98 -0.40 120.40 120.86 1wpi s VAL 111 Ca -0.00 0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.37 1wpi s VAL 111 Cb -0.13 -0.08 -0.02 0.00 0.56 0.00 0.00 36.38 36.70 1wpi s VAL 111 CO -0.05 0.08 -0.11 -0.62 -0.31 0.00 0.00 175.10 174.09 1wpi s ASP 112 N 0.98 4.25 0.00 4.85 2.15 1.14 -0.70 116.67 129.33 1wpi s ASP 112 Ca -0.08 -0.21 0.15 0.00 0.43 0.00 0.00 52.55 52.83 1wpi s ASP 112 Cb -0.12 -1.39 0.23 0.00 -0.30 0.00 0.00 42.92 41.34 1wpi s ASP 112 CO -0.03 0.24 1.11 1.87 -0.17 0.00 0.00 175.17 178.19 1wpi n TRP 113 N 3.03 0.24 -0.10 -5.34 -0.00 -1.24 -2.15 117.44 111.87 1wpi n TRP 113 Ca -0.18 -0.19 -0.18 0.00 -0.00 0.00 0.00 57.50 56.95 1wpi n TRP 113 Cb 0.53 -0.01 -0.09 0.00 -0.00 0.00 0.00 31.31 31.74 1wpi n TRP 113 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 1wpi n GLU 114 N 0.84 0.54 -0.17 5.87 4.07 -1.26 -4.49 120.64 126.03 1wpi n GLU 114 Ca 0.11 0.53 0.08 0.00 -0.06 0.00 0.00 57.16 57.83 1wpi n GLU 114 Cb 0.41 -1.71 0.16 0.00 -0.06 0.00 0.00 31.44 30.25 1wpi n GLU 114 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1wpi n ASN 115 N -4.46 2.77 -3.70 4.31 4.13 -1.26 -4.90 115.26 112.15 1wpi n ASN 115 Ca -0.28 -2.88 -0.26 0.00 1.68 0.00 0.00 54.58 52.85 1wpi n ASN 115 Cb 0.60 -0.40 0.03 0.00 -1.54 0.00 0.00 39.78 38.47 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 -0.96 -2.91 -3.92 3.52 0.00 -1.16 -4.95 118.16 107.79 1wpi n LYS 116 Ca 0.15 0.54 -0.35 0.00 -0.00 0.00 0.00 58.31 58.65 1wpi n LYS 116 Cb 0.65 -4.70 -0.14 0.00 -0.00 0.00 0.00 35.03 30.85 1wpi n LYS 116 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1wpi s LEU 117 N -6.54 3.71 0.17 -5.58 2.96 -0.91 -4.89 118.68 107.60 1wpi s LEU 117 Ca 0.23 -1.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.00 1wpi s LEU 117 Cb -0.07 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 1wpi s LEU 117 CO 0.84 -0.22 0.04 0.68 -1.32 0.00 0.00 176.35 176.37 1wpi s VAL 118 N 1.28 0.43 0.00 1.68 -7.23 -1.26 0.36 120.40 115.67 1wpi s VAL 118 Ca -0.04 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1wpi s VAL 118 Cb -0.19 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.56 1wpi s VAL 118 CO -0.02 -0.37 0.00 0.61 -0.31 0.00 0.00 175.10 175.01 1wpi n GLY 119 N -0.23 2.50 3.89 2.32 0.00 0.46 -4.96 105.19 109.18 1wpi n GLY 119 Ca -0.05 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 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 6.14 0.00 1.61 4.22 -1.26 -2.58 114.94 123.07 1wpi s ASN 120 Ca 0.00 1.11 0.00 0.00 -2.14 0.00 0.00 52.86 51.83 1wpi s ASN 120 Cb 0.00 -2.27 0.00 0.00 1.28 0.00 0.00 41.25 40.26 1wpi s ASN 120 CO 0.00 -0.78 0.00 1.21 -2.04 0.00 0.00 177.10 175.49 1wpi n GLU 121 N -2.53 0.00 0.01 3.55 2.13 -0.59 -4.34 120.64 118.87 1wpi n GLU 121 Ca 0.03 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.67 1wpi n GLU 121 Cb 0.55 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.17 1wpi n GLU 121 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1wpi h PRO 122 N 0.00 0.67 -0.10 5.31 0.13 -1.93 -3.06 132.00 133.03 1wpi h PRO 122 Ca 0.00 -0.65 0.03 0.00 -0.87 0.00 0.00 66.00 64.51 1wpi h PRO 122 Cb 0.00 0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.29 1wpi h PRO 122 CO 0.00 1.25 0.11 0.00 -0.23 0.00 0.00 178.00 179.13 1wpi h ALA 123 N 0.44 1.68 -0.94 -0.56 0.00 -1.93 -0.27 119.26 117.67 1wpi h ALA 123 Ca -0.09 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.95 1wpi h ALA 123 Cb 1.50 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.21 1wpi h ALA 123 CO 0.17 -0.16 0.56 0.38 0.00 0.00 0.00 179.25 180.20 1wpi h ASP 124 N 0.00 0.78 0.35 0.00 2.03 -1.73 -1.45 116.42 116.41 1wpi h ASP 124 Ca 0.05 0.07 -0.00 0.00 -0.73 0.00 0.00 57.03 56.41 1wpi h ASP 124 Cb 0.26 -0.08 -0.03 0.00 -0.83 0.00 0.00 39.33 38.65 1wpi h ASP 124 CO -0.00 0.38 -0.44 0.40 -1.03 0.00 0.00 179.24 178.56 1wpi h ILE 125 N 0.85 0.13 -0.87 4.15 2.04 -1.19 -1.29 117.51 121.33 1wpi h ILE 125 Ca 0.49 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.56 1wpi h ILE 125 Cb 0.57 0.13 -0.13 0.00 -0.74 0.00 0.00 36.82 36.66 1wpi h ILE 125 CO -0.30 0.00 0.33 -0.78 0.00 0.00 0.00 178.15 177.39 1wpi h ASP 126 N -0.82 0.21 -0.41 1.72 1.82 -1.40 1.29 116.42 118.82 1wpi h ASP 126 Ca -0.03 0.16 0.08 0.00 -0.39 0.00 0.00 57.03 56.85 1wpi h ASP 126 Cb 0.76 0.17 -0.09 0.00 0.68 0.00 0.00 39.33 40.85 1wpi h ASP 126 CO -0.12 -0.04 -0.38 0.11 -1.61 0.00 0.00 179.24 177.20 1wpi h LYS 127 N 0.34 -0.28 0.00 0.28 6.56 -0.28 -3.29 116.57 119.90 1wpi h LYS 127 Ca 0.53 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 60.14 1wpi h LYS 127 Cb 1.01 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.74 1wpi h LYS 127 CO -0.55 -0.19 0.00 0.66 -2.06 0.00 0.00 179.45 177.31 1wpi n TYR 128 N -5.42 0.00 -3.99 -1.35 4.01 0.41 -4.80 117.16 106.02 1wpi n TYR 128 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.44 1wpi n TYR 128 Cb 0.35 -0.07 -0.15 0.00 -0.31 0.00 0.00 39.34 39.17 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 -0.31 2.43 0.00 -0.72 -5.25 0.42 -4.72 121.20 113.05 1wpi s ILE 129 Ca 0.00 -2.81 0.00 0.00 -0.99 0.00 0.00 60.65 56.85 1wpi s ILE 129 Cb 0.00 -2.74 0.00 0.00 2.95 0.00 0.00 42.46 42.67 1wpi s ILE 129 CO 0.00 -0.69 0.00 2.30 -1.79 0.00 0.00 174.94 174.76 1wpi n ILE 130 N 3.72 0.00 -0.23 8.37 -0.00 -0.91 -4.00 119.36 126.31 1wpi n ILE 130 Ca 0.04 0.00 0.01 0.00 -0.00 0.00 0.00 62.75 62.81 1wpi n ILE 130 Cb 0.37 0.00 0.13 0.00 -0.00 0.00 0.00 39.64 40.15 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 0.45 -3.91 6.28 7.50 -1.83 -3.30 115.11 120.30 1wpi h GLN 131 Ca 0.00 -0.03 -0.70 0.00 0.50 0.00 0.00 58.65 58.42 1wpi h GLN 131 Cb 0.00 -0.10 -0.35 0.00 0.05 0.00 0.00 27.48 27.08 1wpi h GLN 131 CO 0.00 0.30 -0.42 0.50 -1.50 0.00 0.00 178.83 177.71 1wpi s ARG 132 N -6.07 2.40 0.00 1.46 3.00 -1.25 -4.55 118.95 113.94 1wpi s ARG 132 Ca -0.13 -2.27 0.00 0.00 -1.00 0.00 0.00 55.73 52.33 1wpi s ARG 132 Cb 0.18 -3.71 0.00 0.00 0.00 0.00 0.00 34.95 31.42 1wpi s ARG 132 CO 0.75 -1.15 0.00 1.17 0.00 0.00 0.00 175.30 176.08