#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 2.36 -0.38 7.83 0.15 -1.26 -5.04 113.70 117.36 1wpi s SER 2 Ca 0.00 -0.40 0.13 0.00 0.70 0.00 0.00 55.95 56.38 1wpi s SER 2 Cb 0.00 -0.81 0.39 0.00 -1.71 0.00 0.00 66.02 63.89 1wpi s SER 2 CO 0.00 0.14 0.83 2.22 1.20 0.00 0.00 173.24 177.64 1wpi n PHE 3 N 3.31 0.97 -0.06 3.44 -1.74 -1.26 -4.83 117.46 117.29 1wpi n PHE 3 Ca -0.19 -3.50 -0.17 0.00 -0.56 0.00 0.00 57.45 53.03 1wpi n PHE 3 Cb 0.53 -0.40 -0.13 0.00 1.52 0.00 0.00 39.48 41.00 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 2.98 0.10 0.16 2.97 4.06 -2.04 -3.38 115.95 120.80 1wpi h TRP 4 Ca 0.05 -0.08 -0.32 0.00 2.06 0.00 0.00 58.89 60.61 1wpi h TRP 4 Cb 0.99 -0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.15 1wpi h TRP 4 CO 0.52 1.22 -1.59 0.87 -3.56 0.00 0.00 178.44 175.91 1wpi h LYS 5 N -0.86 0.34 -5.00 0.49 6.56 -1.96 -3.50 116.57 112.65 1wpi h LYS 5 Ca -0.14 -0.58 0.01 0.00 -1.06 0.00 0.00 60.65 58.88 1wpi h LYS 5 Cb 1.23 0.22 -0.09 0.00 -0.57 0.00 0.00 32.23 33.01 1wpi h LYS 5 CO -0.03 1.28 -1.32 2.41 -2.06 0.00 0.00 179.45 179.72 1wpi n THR 6 N -3.74-12.03 -3.51 -0.16 -1.04 -1.26 -5.07 114.28 87.47 1wpi n THR 6 Ca -0.24 2.66 0.00 0.00 -2.04 0.00 0.00 64.05 64.43 1wpi n THR 6 Cb 1.00 -6.07 -0.04 0.00 -1.82 0.00 0.00 70.33 63.40 1wpi n THR 6 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1wpi s LEU 7 N -0.59 -0.83 -0.95 -4.42 1.98 -1.26 -5.07 118.68 107.55 1wpi s LEU 7 Ca -0.20 1.14 -0.18 0.00 -2.89 0.00 0.00 54.13 52.00 1wpi s LEU 7 Cb 0.01 1.94 -0.27 0.00 0.66 0.00 0.00 46.19 48.54 1wpi s LEU 7 CO 0.53 -0.16 2.34 1.67 -1.89 0.00 0.00 176.35 178.84 1wpi n GLN 8 N 5.16 0.13 -1.82 1.98 -0.06 -1.26 -3.95 117.38 117.55 1wpi n GLN 8 Ca -0.11 -0.11 0.00 0.00 -2.00 0.00 0.00 57.00 54.79 1wpi n GLN 8 Cb 0.51 -1.60 0.00 0.00 -4.06 0.00 0.00 30.24 25.09 1wpi n GLN 8 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 1wpi n ARG 9 N 6.86 -5.09 -3.34 3.69 3.00 -1.26 -4.93 116.66 115.59 1wpi n ARG 9 Ca 0.63 3.67 -0.37 0.00 -0.00 0.00 0.00 57.85 61.78 1wpi n ARG 9 Cb 0.17 -4.04 -0.06 0.00 0.00 0.00 0.00 32.46 28.53 1wpi n ARG 9 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1wpi s GLN 10 N -2.15 4.06 0.00 -0.14 -2.07 -1.25 -5.03 119.66 113.07 1wpi s GLN 10 Ca 0.00 0.58 0.00 0.00 -1.82 0.00 0.00 55.36 54.12 1wpi s GLN 10 Cb 0.00 -3.09 0.00 0.00 -1.09 0.00 0.00 33.01 28.83 1wpi s GLN 10 CO 0.00 0.57 0.00 -0.35 -1.32 0.00 0.00 175.29 174.19 1wpi n PRO 11 N 1.28 0.02 0.00 9.60 -0.04 -1.26 -4.86 135.00 139.74 1wpi n PRO 11 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1wpi n PRO 11 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.82 0.00 -3.82 0.54 1.74 -1.26 -4.96 116.66 108.09 1wpi n ARG 12 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1wpi n ARG 12 Cb 0.00 -0.34 -0.13 0.00 -1.02 0.00 0.00 32.46 30.97 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 -1.67 3.80 -0.42 0.55 2.01 -1.26 -4.33 115.64 114.31 1wpi s THR 13 Ca 0.00 -0.52 -0.20 0.00 0.31 0.00 0.00 61.69 61.28 1wpi s THR 13 Cb 0.00 -2.84 0.02 0.00 0.01 0.00 0.00 72.50 69.69 1wpi s THR 13 CO 0.00 0.26 0.60 -0.63 -0.69 0.00 0.00 174.62 174.16 1wpi s ILE 14 N 1.51 4.89 -0.45 1.82 -1.09 -1.19 -4.04 121.20 122.65 1wpi s ILE 14 Ca 0.04 0.08 -0.09 0.00 -2.23 0.00 0.00 60.65 58.45 1wpi s ILE 14 Cb -0.16 -4.15 0.10 0.00 -1.58 0.00 0.00 42.46 36.67 1wpi s ILE 14 CO 0.01 -0.53 0.31 -0.55 -1.23 0.00 0.00 174.94 172.95 1wpi s SER 15 N 1.94 5.67 -0.07 3.58 0.15 0.65 -2.51 113.70 123.12 1wpi s SER 15 Ca 0.21 -1.73 0.02 0.00 0.70 0.00 0.00 55.95 55.15 1wpi s SER 15 Cb -0.15 -2.00 0.02 0.00 -1.71 0.00 0.00 66.02 62.18 1wpi s SER 15 CO 0.17 -0.62 -0.11 -0.22 1.20 0.00 0.00 173.24 173.66 1wpi s LEU 16 N 1.39 1.56 0.19 3.45 2.96 -1.14 0.12 118.68 127.20 1wpi s LEU 16 Ca 0.04 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 53.66 1wpi s LEU 16 Cb -0.25 -0.81 -0.04 0.00 0.50 0.00 0.00 46.19 45.59 1wpi s LEU 16 CO 0.01 0.00 0.37 -0.36 -1.32 0.00 0.00 176.35 175.05 1wpi s PHE 17 N 0.84 3.48 0.08 5.38 0.08 0.42 -2.92 117.98 125.34 1wpi s PHE 17 Ca -0.11 0.33 0.01 0.00 0.12 0.00 0.00 56.93 57.28 1wpi s PHE 17 Cb -0.15 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 1wpi s PHE 17 CO 0.02 0.40 0.18 0.99 -0.10 0.00 0.00 175.22 176.71 1wpi s THR 18 N -1.83 5.10 -0.37 0.64 2.01 -0.22 -2.59 115.64 118.37 1wpi s THR 18 Ca 0.38 -0.57 0.13 0.00 0.31 0.00 0.00 61.69 61.93 1wpi s THR 18 Cb -0.11 -3.51 0.39 0.00 0.01 0.00 0.00 72.50 69.29 1wpi s THR 18 CO 0.29 0.09 0.98 0.59 -0.69 0.00 0.00 174.62 175.88 1wpi n ASN 19 N 0.18 0.06 -0.98 3.53 4.13 -1.21 -3.96 115.26 117.01 1wpi n ASN 19 Ca -0.06 -2.91 0.02 0.00 1.68 0.00 0.00 54.58 53.30 1wpi n ASN 19 Cb 0.52 0.11 -0.01 0.00 -1.54 0.00 0.00 39.78 38.85 1wpi n ASN 19 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1wpi n ASP 20 N 0.01 -2.00 0.03 6.41 -0.08 -1.25 -2.69 116.55 116.99 1wpi n ASP 20 Ca 0.11 0.42 0.00 0.00 -1.51 0.00 0.00 54.79 53.81 1wpi n ASP 20 Cb 0.76 -2.38 0.00 0.00 2.34 0.00 0.00 41.12 41.84 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 -2.64 0.00 0.00 5.18 -0.00 -1.23 -1.74 119.36 118.93 1wpi n ILE 21 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.74 1wpi n ILE 21 Cb 0.14 -0.02 0.00 0.00 -0.00 0.00 0.00 39.64 39.76 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 -2.65 0.00 -0.51 -1.39 0.00 -1.26 -4.71 120.51 109.99 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 -4.52 0.00 2.88 -1.26 -3.14 113.62 107.57 1wpi n SER 23 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 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 -1.54 6.23 0.34 -3.46 -0.87 -1.26 -4.86 114.94 109.52 1wpi s ASN 24 Ca 0.00 -0.78 0.14 0.00 -1.57 0.00 0.00 52.86 50.65 1wpi s ASN 24 Cb 0.00 -2.52 1.10 0.00 -0.02 0.00 0.00 41.25 39.81 1wpi s ASN 24 CO 0.00 -1.66 1.63 0.40 -2.57 0.00 0.00 177.10 174.89 1wpi h ILE 25 N 6.11 0.19 0.00 0.60 1.08 -1.95 2.92 117.51 126.46 1wpi h ILE 25 Ca -0.20 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1wpi h ILE 25 Cb 1.05 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 1wpi h ILE 25 CO 1.27 0.03 -0.19 0.11 -0.69 0.00 0.00 178.15 178.68 1wpi h LYS 26 N 0.19 0.00 0.19 2.37 1.57 -1.91 -3.25 116.57 115.73 1wpi h LYS 26 Ca 0.74 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.51 1wpi h LYS 26 Cb 1.75 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.06 1wpi h LYS 26 CO -0.69 0.00 -0.16 0.77 -0.57 0.00 0.00 179.45 178.80 1wpi h SER 27 N -0.94 -0.44 -1.47 0.86 0.02 -1.72 -1.70 113.55 108.17 1wpi h SER 27 Ca 0.00 0.03 0.48 0.00 -0.84 0.00 0.00 61.79 61.46 1wpi h SER 27 Cb 0.19 0.14 -0.11 0.00 0.14 0.00 0.00 62.40 62.76 1wpi h SER 27 CO 0.00 -0.22 0.99 1.67 -1.14 0.00 0.00 176.83 178.12 1wpi n GLN 28 N -3.28 -0.02 0.00 3.45 -0.06 0.97 0.77 117.38 119.20 1wpi n GLN 28 Ca -0.04 1.12 0.00 0.00 -2.00 0.00 0.00 57.00 56.08 1wpi n GLN 28 Cb 0.15 -2.32 0.00 0.00 -4.06 0.00 0.00 30.24 24.01 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 -4.34 0.00 -0.11 3.69 4.81 -0.65 -3.52 118.16 118.05 1wpi n LYS 29 Ca 0.39 0.06 -0.21 0.00 -0.87 0.00 0.00 58.31 57.68 1wpi n LYS 29 Cb 1.60 -0.65 -0.10 0.00 0.02 0.00 0.00 35.03 35.91 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 -4.41 0.17 0.11 0.00 7.99 0.23 0.43 117.00 121.52 1wpi n LEU 31 Ca -0.34 0.99 -0.23 0.00 -0.01 0.00 0.00 56.01 56.42 1wpi n LEU 31 Cb 0.67 -0.49 -0.15 0.00 -0.11 0.00 0.00 43.42 43.34 1wpi n LEU 31 CO 0.14 -1.09 -0.26 1.56 -1.51 0.00 0.00 177.39 176.23 1wpi h GLN 32 N 0.00 0.45 -0.30 3.23 1.08 -1.10 -0.69 115.11 117.79 1wpi h GLN 32 Ca 0.58 -0.78 -0.00 0.00 -1.45 0.00 0.00 58.65 57.00 1wpi h GLN 32 Cb 1.77 0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 29.47 1wpi h GLN 32 CO -0.38 1.37 0.18 1.25 -0.95 0.00 0.00 178.83 180.30 1wpi h LEU 33 N 0.02 0.37 0.00 1.46 5.85 0.88 -1.10 115.31 122.78 1wpi h LEU 33 Ca -0.26 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1wpi h LEU 33 Cb 2.04 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.98 1wpi h LEU 33 CO 0.22 0.32 -0.02 0.18 -0.34 0.00 0.00 178.44 178.80 1wpi n LEU 34 N -4.84 0.29 0.30 2.25 4.32 0.28 -3.49 117.00 116.13 1wpi n LEU 34 Ca -0.01 0.51 0.08 0.00 -0.02 0.00 0.00 56.01 56.56 1wpi n LEU 34 Cb 0.06 -0.43 0.44 0.00 -1.62 0.00 0.00 43.42 41.87 1wpi n LEU 34 CO 0.35 -0.06 1.02 0.50 -1.22 0.00 0.00 177.39 177.98 1wpi h LYS 35 N 0.00 0.00 0.00 3.23 1.63 0.24 -3.13 116.57 118.55 1wpi h LYS 35 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1wpi h LYS 35 Cb 0.58 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 1wpi h LYS 35 CO 0.00 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.41 1wpi n GLY 36 N -1.32 -2.03 0.94 5.01 0.00 -1.23 -4.94 105.19 101.62 1wpi n GLY 36 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 1wpi n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wpi n ASP 37 N 0.00 0.62 -3.61 1.61 9.92 -1.18 -5.13 116.55 118.77 1wpi n ASP 37 Ca 0.00 -1.38 -0.07 0.00 -0.53 0.00 0.00 54.79 52.81 1wpi n ASP 37 Cb 0.00 -0.09 -0.02 0.00 -0.64 0.00 0.00 41.12 40.37 1wpi n ASP 37 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1wpi s VAL 38 N 0.04 0.00 -3.06 2.53 0.11 -1.26 -4.74 120.40 114.01 1wpi s VAL 38 Ca 0.14 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 1wpi s VAL 38 Cb -0.01 -1.45 0.00 0.00 -1.53 0.00 0.00 36.38 33.39 1wpi s VAL 38 CO 0.09 0.00 0.00 -1.20 -3.33 0.00 0.00 175.10 170.66 1wpi n SER 39 N -0.36 0.00 -4.44 3.54 7.64 -1.26 -4.94 113.62 113.80 1wpi n SER 39 Ca -0.08 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.46 1wpi n SER 39 Cb 0.61 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.68 1wpi n SER 39 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1wpi s HIS 40 N -2.46 2.93 0.00 1.43 2.46 -1.26 -4.77 115.29 113.62 1wpi s HIS 40 Ca 0.00 -0.45 0.00 0.00 0.47 0.00 0.00 55.06 55.08 1wpi s HIS 40 Cb 0.00 -1.91 0.00 0.00 -0.13 0.00 0.00 32.58 30.54 1wpi s HIS 40 CO 0.00 -0.11 0.00 2.89 -2.47 0.00 0.00 174.74 175.05 1wpi n ARG 41 N 3.53 0.00 -3.53 2.88 -4.01 -1.26 -5.05 116.66 109.22 1wpi n ARG 41 Ca -0.18 0.00 -0.11 0.00 -1.04 0.00 0.00 57.85 56.52 1wpi n ARG 41 Cb 0.53 0.00 -0.03 0.00 -3.04 0.00 0.00 32.46 29.92 1wpi n ARG 41 CO 0.00 0.00 0.00 -0.59 -3.04 0.00 0.00 177.63 174.00 1wpi s PHE 42 N 0.00 -0.41 -0.32 2.89 -0.71 -1.26 -4.99 117.98 113.18 1wpi s PHE 42 Ca 0.00 0.15 -0.09 0.00 -1.04 0.00 0.00 56.93 55.95 1wpi s PHE 42 Cb 0.00 0.52 0.00 0.00 -1.21 0.00 0.00 43.02 42.33 1wpi s PHE 42 CO 0.00 -0.88 0.15 -0.51 -1.34 0.00 0.00 175.22 172.64 1wpi s ASP 43 N -2.79 5.51 -0.24 1.98 1.11 -1.26 -4.98 116.67 115.99 1wpi s ASP 43 Ca 0.03 -0.62 -0.23 0.00 0.18 0.00 0.00 52.55 51.91 1wpi s ASP 43 Cb -0.01 -1.98 -0.01 0.00 1.07 0.00 0.00 42.92 41.98 1wpi s ASP 43 CO -0.10 -0.22 0.77 -0.69 1.18 0.00 0.00 175.17 176.12 1wpi s VAL 44 N 1.59 4.88 -0.36 -1.27 1.01 -1.26 -3.17 120.40 121.81 1wpi s VAL 44 Ca 0.04 1.45 -0.14 0.00 0.00 0.00 0.00 61.98 63.34 1wpi s VAL 44 Cb -0.17 -4.07 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 1wpi s VAL 44 CO 0.06 -0.04 0.26 -1.83 0.00 0.00 0.00 175.10 173.55 1wpi s GLU 45 N 2.71 3.32 -0.39 2.72 -1.05 -1.04 -5.03 118.70 119.94 1wpi s GLU 45 Ca 0.33 -0.77 -0.06 0.00 -0.15 0.00 0.00 54.97 54.31 1wpi s GLU 45 Cb -0.15 -3.87 0.08 0.00 -0.44 0.00 0.00 34.13 29.75 1wpi s GLU 45 CO 0.08 -0.55 0.20 0.42 0.95 0.00 0.00 175.26 176.36 1wpi s ILE 46 N 1.71 3.81 -0.03 1.83 -1.09 -1.26 -2.89 121.20 123.28 1wpi s ILE 46 Ca 0.06 -1.52 -0.01 0.00 -2.23 0.00 0.00 60.65 56.94 1wpi s ILE 46 Cb -0.18 -3.35 0.02 0.00 -1.58 0.00 0.00 42.46 37.36 1wpi s ILE 46 CO 0.10 -0.46 0.06 0.00 -1.23 0.00 0.00 174.94 173.41 1wpi s ALA 47 N 1.34 -0.10 -0.22 9.38 0.00 -1.15 -5.01 121.76 126.01 1wpi s ALA 47 Ca 0.03 0.26 -0.19 0.00 0.00 0.00 0.00 51.96 52.06 1wpi s ALA 47 Cb -0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1wpi s ALA 47 CO 0.00 -0.06 0.56 0.54 0.00 0.00 0.00 175.76 176.80 1wpi s ASN 48 N 0.45 6.57 0.13 0.00 2.20 -1.26 -1.05 114.94 121.98 1wpi s ASN 48 Ca -0.04 0.69 -0.22 0.00 -0.94 0.00 0.00 52.86 52.35 1wpi s ASN 48 Cb -0.05 -2.31 0.06 0.00 -2.00 0.00 0.00 41.25 36.95 1wpi s ASN 48 CO -0.02 -0.25 0.55 -0.60 -2.94 0.00 0.00 177.10 173.85 1wpi s ARG 49 N 1.96 1.21 0.09 3.55 6.06 -1.25 -4.73 118.95 125.83 1wpi s ARG 49 Ca 0.25 -0.47 -0.31 0.00 -2.50 0.00 0.00 55.73 52.69 1wpi s ARG 49 Cb -0.16 0.55 -0.07 0.00 0.06 0.00 0.00 34.95 35.33 1wpi s ARG 49 CO 0.09 -0.50 1.34 -0.59 -2.50 0.00 0.00 175.30 173.14 1wpi s PHE 50 N -3.56 3.27 -0.14 5.12 -0.71 -1.24 -4.66 117.98 116.06 1wpi s PHE 50 Ca 0.00 1.03 -0.05 0.00 -1.04 0.00 0.00 56.93 56.88 1wpi s PHE 50 Cb -0.00 -3.61 -0.19 0.00 -1.21 0.00 0.00 43.02 38.01 1wpi s PHE 50 CO -0.11 -2.11 2.81 -0.35 -1.34 0.00 0.00 175.22 174.12 1wpi n PRO 51 N 4.03 1.65 -1.73 1.99 -0.04 -1.26 -4.91 135.00 134.73 1wpi n PRO 51 Ca 0.11 -0.87 -0.39 0.00 -0.04 0.00 0.00 63.50 62.32 1wpi n PRO 51 Cb 0.43 -1.96 0.04 0.00 -0.04 0.00 0.00 33.50 31.98 1wpi n PRO 51 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1wpi n THR 52 N 2.77 3.80 0.24 0.52 -1.04 -1.26 -4.80 114.28 114.52 1wpi n THR 52 Ca 0.35 -0.50 0.11 0.00 -2.04 0.00 0.00 64.05 61.97 1wpi n THR 52 Cb 0.63 -1.60 0.62 0.00 -1.82 0.00 0.00 70.33 68.16 1wpi n THR 52 CO 0.00 0.00 0.00 4.11 -0.64 0.00 0.00 175.07 178.54 1wpi h TRP 53 N 1.34 0.00 -0.16 -1.42 5.08 -1.94 0.07 115.95 118.91 1wpi h TRP 53 Ca -0.50 0.00 0.05 0.00 1.08 0.00 0.00 58.89 59.51 1wpi h TRP 53 Cb 1.31 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 27.40 1wpi h TRP 53 CO 0.44 0.17 -0.42 -0.44 -1.28 0.00 0.00 178.44 176.92 1wpi h ASP 54 N 0.00 -1.31 0.31 0.11 5.19 -1.97 2.20 116.42 120.95 1wpi h ASP 54 Ca -0.00 0.18 -0.33 0.00 -0.62 0.00 0.00 57.03 56.26 1wpi h ASP 54 Cb 0.48 0.54 0.03 0.00 0.18 0.00 0.00 39.33 40.57 1wpi h ASP 54 CO 0.02 -0.42 -1.48 1.56 -3.12 0.00 0.00 179.24 175.80 1wpi h GLN 55 N -0.47 0.48 0.00 3.56 4.20 -1.90 -3.21 115.11 117.78 1wpi h GLN 55 Ca 0.08 -0.82 -0.00 0.00 0.06 0.00 0.00 58.65 57.97 1wpi h GLN 55 Cb 0.62 0.31 -0.00 0.00 0.30 0.00 0.00 27.48 28.70 1wpi h GLN 55 CO -0.42 1.39 -0.01 1.25 -0.67 0.00 0.00 178.83 180.38 1wpi h LEU 56 N 0.13 0.00 -2.00 1.46 7.12 -0.65 -2.13 115.31 119.24 1wpi h LEU 56 Ca -0.25 0.00 0.54 0.00 0.13 0.00 0.00 57.88 58.30 1wpi h LEU 56 Cb 2.14 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 42.19 1wpi h LEU 56 CO 0.25 0.01 1.33 -0.61 -0.13 0.00 0.00 178.44 179.29 1wpi h GLN 57 N 0.00 0.00 0.10 1.25 4.15 0.36 1.51 115.11 122.49 1wpi h GLN 57 Ca -0.00 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1wpi h GLN 57 Cb 0.02 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1wpi h GLN 57 CO 0.00 0.00 -0.05 -0.92 -1.93 0.00 0.00 178.83 175.93 1wpi h TYR 58 N 0.00 -0.13 0.00 3.99 3.20 -1.62 -3.24 116.97 119.17 1wpi h TYR 58 Ca 0.88 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.66 1wpi h TYR 58 Cb 3.53 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 41.83 1wpi h TYR 58 CO -0.00 0.39 -0.42 0.52 -1.64 0.00 0.00 178.16 177.00 1wpi h MET 59 N -0.84 0.00 -0.91 1.82 2.86 0.13 -2.89 114.93 115.10 1wpi h MET 59 Ca -0.01 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.75 1wpi h MET 59 Cb 0.57 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.16 1wpi h MET 59 CO 0.02 0.42 0.58 -0.09 1.06 0.00 0.00 176.91 178.91 1wpi h ARG 60 N 0.00 0.78 0.02 1.72 9.65 0.17 0.83 114.38 127.54 1wpi h ARG 60 Ca -0.00 -0.05 -0.25 0.00 -1.10 0.00 0.00 59.98 58.58 1wpi h ARG 60 Cb 0.83 -0.18 0.01 0.00 -1.39 0.00 0.00 29.97 29.25 1wpi h ARG 60 CO 0.06 0.51 -1.02 1.79 2.80 0.00 0.00 179.97 184.11 1wpi h THR 61 N 0.80 1.35 -0.80 0.20 1.35 -1.54 -3.20 112.91 111.07 1wpi h THR 61 Ca 0.45 -2.40 -0.52 0.00 -0.55 0.00 0.00 66.41 63.39 1wpi h THR 61 Cb 0.59 2.45 -0.23 0.00 -1.73 0.00 0.00 68.15 69.23 1wpi h THR 61 CO -0.21 0.73 0.67 -1.20 -0.25 0.00 0.00 175.52 175.25 1wpi n SER 62 N -3.78 6.55 -3.65 5.36 7.64 -0.22 -4.82 113.62 120.71 1wpi n SER 62 Ca -0.09 -3.47 0.01 0.00 1.01 0.00 0.00 58.87 56.33 1wpi n SER 62 Cb 0.87 -0.97 -0.06 0.00 -1.01 0.00 0.00 64.21 63.04 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 4.41 0.00 0.00 0.00 0.13 -1.86 -3.02 132.00 131.66 1wpi h PRO 64 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1wpi h PRO 64 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1wpi h PRO 64 CO 0.22 0.71 -0.66 -0.56 -0.23 0.00 0.00 178.00 177.48 1wpi h GLN 65 N 0.00 0.00 0.00 0.86 -0.00 -1.93 -3.46 115.11 110.58 1wpi h GLN 65 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1wpi h GLN 65 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.78 1wpi h GLN 65 CO 0.09 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.33 1wpi n GLY 66 N 1.30 0.01 0.17 0.06 0.00 -1.14 0.28 105.19 105.87 1wpi n GLY 66 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 0.45 -1.08 1.61 0.13 -1.90 -3.15 132.00 128.07 1wpi h PRO 67 Ca 0.00 -0.44 0.30 0.00 -0.87 0.00 0.00 66.00 64.99 1wpi h PRO 67 Cb 0.00 0.11 -0.11 0.00 0.13 0.00 0.00 31.00 31.13 1wpi h PRO 67 CO 0.00 1.09 0.68 -0.39 -0.23 0.00 0.00 178.00 179.15 1wpi h VAL 68 N 0.28 0.42 -0.06 1.56 -1.51 0.38 1.65 116.25 118.96 1wpi h VAL 68 Ca -0.07 -0.12 -0.18 0.00 -1.23 0.00 0.00 66.70 65.10 1wpi h VAL 68 Cb 1.49 0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 1wpi h VAL 68 CO 0.15 0.06 -0.74 0.28 -1.23 0.00 0.00 177.57 176.10 1wpi h SER 69 N 0.36 0.41 0.14 4.19 0.02 0.12 0.97 113.55 119.75 1wpi h SER 69 Ca 0.67 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 61.34 1wpi h SER 69 Cb 1.68 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.11 1wpi h SER 69 CO -0.39 1.01 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.17 1wpi h LEU 70 N 0.23 -0.16 -1.58 5.07 3.38 0.18 0.24 115.31 122.66 1wpi h LEU 70 Ca -0.03 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1wpi h LEU 70 Cb 1.31 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1wpi h LEU 70 CO 0.12 0.41 0.06 1.56 0.09 0.00 0.00 178.44 180.69 1wpi h GLN 71 N -0.85 0.34 0.00 1.13 4.20 0.16 -0.09 115.11 119.99 1wpi h GLN 71 Ca -0.02 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1wpi h GLN 71 Cb 0.54 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1wpi h GLN 71 CO 0.03 0.31 0.00 0.00 -0.67 0.00 0.00 178.83 178.51 1wpi h ARG 72 N 0.34 0.00 -0.36 1.46 2.47 -0.81 -3.19 114.38 114.28 1wpi h ARG 72 Ca 0.08 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.71 1wpi h ARG 72 Cb 0.13 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 1wpi h ARG 72 CO -0.00 0.00 -0.18 1.96 0.56 0.00 0.00 179.97 182.31 1wpi h GLN 73 N 0.00 0.68 -7.18 0.04 4.20 0.10 -3.44 115.11 109.52 1wpi h GLN 73 Ca 0.00 -0.24 -0.50 0.00 0.06 0.00 0.00 58.65 57.96 1wpi h GLN 73 Cb 0.92 -0.05 0.05 0.00 0.30 0.00 0.00 27.48 28.69 1wpi h GLN 73 CO 0.00 0.82 0.29 -1.50 -0.67 0.00 0.00 178.83 177.77 1wpi s ILE 74 N -4.66 4.78 0.02 2.54 2.07 -1.15 -4.63 121.20 120.17 1wpi s ILE 74 Ca -0.09 0.64 -0.19 0.00 -1.41 0.00 0.00 60.65 59.61 1wpi s ILE 74 Cb 0.14 -3.86 -0.22 0.00 0.13 0.00 0.00 42.46 38.65 1wpi s ILE 74 CO 0.81 -1.00 1.15 1.55 -1.91 0.00 0.00 174.94 175.55 1wpi h PRO 75 N -0.00 0.46 -2.78 3.50 0.13 -1.85 -3.31 132.00 128.13 1wpi h PRO 75 Ca -0.45 -0.44 -0.47 0.00 -0.87 0.00 0.00 66.00 63.77 1wpi h PRO 75 Cb 1.19 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1wpi h PRO 75 CO 0.62 1.09 2.37 0.36 -0.23 0.00 0.00 178.00 182.21 1wpi n LYS 76 N -4.21 2.86 0.17 0.86 -0.00 -1.26 -4.55 118.16 112.03 1wpi n LYS 76 Ca -0.10 -1.68 -0.07 0.00 -0.00 0.00 0.00 58.31 56.47 1wpi n LYS 76 Cb 0.65 -2.48 -0.03 0.00 -0.00 0.00 0.00 35.03 33.17 1wpi n LYS 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1wpi h LEU 77 N 6.61 -0.38 -1.02 -5.58 4.07 -1.75 0.19 115.31 117.44 1wpi h LEU 77 Ca 0.60 0.01 0.28 0.00 0.08 0.00 0.00 57.88 58.85 1wpi h LEU 77 Cb 0.60 0.10 -0.04 0.00 1.08 0.00 0.00 40.66 42.40 1wpi h LEU 77 CO 1.26 -0.21 1.19 -2.24 -1.08 0.00 0.00 178.44 177.36 1wpi h ASP 78 N -0.58 0.00 0.00 -0.43 2.03 -1.90 8.42 116.42 123.96 1wpi h ASP 78 Ca -0.05 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.25 1wpi h ASP 78 Cb 0.34 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.84 1wpi h ASP 78 CO 0.08 0.00 -0.16 -1.28 -1.03 0.00 0.00 179.24 176.85 1wpi h SER 79 N 0.00 0.00 0.17 4.15 0.87 -1.82 -3.33 113.55 113.59 1wpi h SER 79 Ca 0.46 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.79 1wpi h SER 79 Cb 2.84 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 64.83 1wpi h SER 79 CO -0.00 0.52 -1.02 1.62 -0.53 0.00 0.00 176.83 177.42 1wpi h VAL 80 N -0.88 1.42 0.00 2.23 3.04 0.30 0.69 116.25 123.05 1wpi h VAL 80 Ca 0.00 -2.57 0.00 0.00 -1.01 0.00 0.00 66.70 63.12 1wpi h VAL 80 Cb 0.16 3.14 0.00 0.00 -2.01 0.00 0.00 31.29 32.58 1wpi h VAL 80 CO 0.00 0.74 0.10 -0.11 -1.01 0.00 0.00 177.57 177.30 1wpi n LEU 81 N -4.01 0.00 0.00 3.16 7.94 2.64 -4.04 117.00 122.69 1wpi n LEU 81 Ca -0.15 0.22 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 1wpi n LEU 81 Cb 0.90 -0.22 0.00 0.00 0.53 0.00 0.00 43.42 44.63 1wpi n LEU 81 CO 0.51 -0.22 0.00 0.29 -1.11 0.00 0.00 177.39 176.87 1wpi n LYS 82 N -1.16 0.00 0.00 1.96 4.01 -1.18 -4.90 118.16 116.89 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 0.10 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.62 1wpi n LYS 82 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 1wpi n TYR 83 N 0.00 0.00 0.00 2.13 9.36 -0.97 -4.93 117.16 122.75 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 0.01 0.00 0.00 -0.63 0.00 0.00 39.34 38.72 1wpi n TYR 83 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1wpi n LYS 84 N 0.00 1.29 -0.16 2.98 4.81 0.24 -2.91 118.16 124.41 1wpi n LYS 84 Ca 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.60 1wpi n LYS 84 Cb 0.08 0.00 0.25 0.00 0.02 0.00 0.00 35.03 35.38 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 0.00 0.00 -0.09 5.64 8.25 -1.23 0.25 115.22 128.04 1wpi n HIS 85 Ca 0.00 0.00 0.26 0.00 -0.26 0.00 0.00 57.72 57.72 1wpi n HIS 85 Cb 0.00 -0.15 0.68 0.00 1.12 0.00 0.00 29.99 31.64 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 0.30 0.00 1.59 1.03 -1.65 -3.23 112.91 110.94 1wpi h THR 86 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.68 1wpi h THR 86 Cb 1.47 0.44 0.00 0.00 -1.07 0.00 0.00 68.15 68.99 1wpi h THR 86 CO -0.00 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 175.98 1wpi n ASP 87 N -3.73 0.00 -0.49 0.00 8.00 0.68 -4.06 116.55 116.95 1wpi n ASP 87 Ca 0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1wpi n ASP 87 Cb 0.99 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.09 1wpi n ASP 87 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1wpi n PRO 88 N 0.00 0.75 0.06 -0.24 -0.04 -1.26 -2.99 135.00 131.28 1wpi n PRO 88 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 1wpi n PRO 88 Cb 0.00 -1.37 -0.15 0.00 -0.04 0.00 0.00 33.50 31.94 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 1.05 0.00 0.52 1.03 -1.76 -3.39 112.91 110.37 1wpi h THR 89 Ca 0.00 -2.49 -0.02 0.00 -0.01 0.00 0.00 66.41 63.89 1wpi h THR 89 Cb 0.37 2.81 -0.00 0.00 -1.07 0.00 0.00 68.15 70.26 1wpi h THR 89 CO 0.00 0.79 -1.66 0.49 -0.01 0.00 0.00 175.52 175.12 1wpi n PHE 90 N -3.77 0.00 -0.05 0.00 3.01 -1.19 -4.33 117.46 111.13 1wpi n PHE 90 Ca -0.23 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.22 1wpi n PHE 90 Cb 0.99 -0.35 0.01 0.00 -0.01 0.00 0.00 39.48 40.13 1wpi n PHE 90 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wpi n GLY 91 N 1.74 -1.60 2.55 1.37 0.00 -1.16 -2.50 105.19 105.59 1wpi n GLY 91 Ca -0.04 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.84 0.00 -3.21 1.61 -0.00 -1.26 -2.65 117.12 110.77 1wpi n MET 92 Ca 0.01 0.00 -0.44 0.00 -0.00 0.00 0.00 57.70 57.26 1wpi n MET 92 Cb 0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 33.22 33.19 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 -1.51 6.19 0.16 3.17 1.11 -1.26 -3.72 116.67 120.81 1wpi s ASP 93 Ca 0.00 -1.26 0.08 0.00 0.18 0.00 0.00 52.55 51.55 1wpi s ASP 93 Cb 0.00 -2.26 -0.05 0.00 1.07 0.00 0.00 42.92 41.68 1wpi s ASP 93 CO 0.00 -0.91 1.38 0.25 1.18 0.00 0.00 175.17 177.06 1wpi h LEU 94 N 9.51 0.01 -1.91 1.23 5.85 -1.25 -3.14 115.31 125.61 1wpi h LEU 94 Ca -0.29 -0.01 0.20 0.00 0.84 0.00 0.00 57.88 58.63 1wpi h LEU 94 Cb 1.10 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1wpi h LEU 94 CO 1.00 0.90 0.61 -0.61 -0.34 0.00 0.00 178.44 179.99 1wpi h GLN 95 N 0.00 0.00 0.00 1.25 4.15 -1.86 1.29 115.11 119.95 1wpi h GLN 95 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 1wpi h GLN 95 Cb 1.57 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.26 1wpi h GLN 95 CO 0.12 0.00 -0.11 0.87 -1.93 0.00 0.00 178.83 177.78 1wpi h LYS 96 N 0.00 0.00 0.00 1.69 1.79 -1.87 1.73 116.57 119.91 1wpi h LYS 96 Ca 0.33 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 58.37 1wpi h LYS 96 Cb 1.54 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 32.12 1wpi h LYS 96 CO -0.00 0.11 -2.35 0.00 -1.08 0.00 0.00 179.45 176.12 1wpi h VAL 98 N -0.99 1.01 -0.97 0.00 2.07 -0.21 0.86 116.25 118.02 1wpi h VAL 98 Ca -0.65 -0.13 0.28 0.00 0.82 0.00 0.00 66.70 67.02 1wpi h VAL 98 Cb 1.57 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 1wpi h VAL 98 CO -0.39 0.07 1.17 0.00 0.02 0.00 0.00 177.57 178.43 1wpi n GLN 99 N -4.48 0.01 0.00 1.57 -0.00 0.59 -4.37 117.38 110.70 1wpi n GLN 99 Ca 0.04 0.97 0.00 0.00 -0.00 0.00 0.00 57.00 58.01 1wpi n GLN 99 Cb 0.17 -2.42 0.00 0.00 -0.00 0.00 0.00 30.24 27.99 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 -3.13 0.00 0.00 2.61 0.63 -0.64 -5.09 116.66 111.04 1wpi n ARG 100 Ca 0.22 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 1wpi n ARG 100 Cb 1.46 0.00 0.00 0.00 0.45 0.00 0.00 32.46 34.37 1wpi n ARG 100 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wpi n GLY 101 N 0.00 -2.79 4.64 5.14 0.00 0.29 -4.46 105.19 108.01 1wpi n GLY 101 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1wpi n GLY 101 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wpi n LEU 102 N 0.00 0.00 -3.96 0.99 -0.00 -1.25 -4.17 117.00 108.61 1wpi n LEU 102 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.93 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 -0.23 0.86 -0.00 0.00 0.00 177.39 178.02 1wpi s TRP 103 N 0.00 0.29 -0.60 1.96 -0.11 -1.26 -5.11 118.94 114.11 1wpi s TRP 103 Ca 0.00 -0.71 -0.19 0.00 1.22 0.00 0.00 56.10 56.42 1wpi s TRP 103 Cb 0.00 -0.20 0.10 0.00 -1.50 0.00 0.00 33.47 31.87 1wpi s TRP 103 CO 0.00 -0.42 0.74 0.54 -4.62 0.00 0.00 176.95 173.19 1wpi s ASN 104 N -2.59 6.18 0.60 5.86 4.22 -1.26 -4.71 114.94 123.25 1wpi s ASN 104 Ca 0.02 -1.38 0.00 0.00 -2.14 0.00 0.00 52.86 49.35 1wpi s ASN 104 Cb 0.03 -2.32 0.00 0.00 1.28 0.00 0.00 41.25 40.25 1wpi s ASN 104 CO -0.08 -1.16 0.00 -0.81 -2.04 0.00 0.00 177.10 173.01 1wpi n PRO 105 N 6.50 0.10 -2.21 3.55 -0.04 -1.26 -4.97 135.00 136.66 1wpi n PRO 105 Ca -0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.35 1wpi n PRO 105 Cb 0.43 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.75 0.06 -4.14 0.54 0.00 -0.71 -3.56 118.16 109.61 1wpi n LYS 106 Ca 0.00 -0.36 -0.15 0.00 -0.00 0.00 0.00 58.31 57.80 1wpi n LYS 106 Cb 0.00 0.01 -0.14 0.00 -0.00 0.00 0.00 35.03 34.90 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 0.01 0.45 -0.12 -1.58 2.02 -1.21 -4.90 118.70 113.36 1wpi s GLU 107 Ca 0.01 -0.33 0.01 0.00 0.02 0.00 0.00 54.97 54.67 1wpi s GLU 107 Cb 0.02 -0.39 -0.01 0.00 0.10 0.00 0.00 34.13 33.86 1wpi s GLU 107 CO -0.01 0.10 -0.16 0.00 0.02 0.00 0.00 175.26 175.21 1wpi s ALA 108 N -0.44 2.50 -0.33 5.21 0.00 -1.26 -3.34 121.76 124.10 1wpi s ALA 108 Ca -0.01 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 50.91 1wpi s ALA 108 Cb -0.04 -1.12 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 1wpi s ALA 108 CO -0.00 0.24 0.22 -0.48 0.00 0.00 0.00 175.76 175.74 1wpi s LEU 109 N 0.38 4.39 -0.19 0.00 2.34 -1.07 -1.43 118.68 123.11 1wpi s LEU 109 Ca -0.12 -0.35 -0.07 0.00 0.06 0.00 0.00 54.13 53.65 1wpi s LEU 109 Cb -0.16 -2.12 -0.04 0.00 -0.56 0.00 0.00 46.19 43.30 1wpi s LEU 109 CO 0.06 -0.19 0.05 0.86 -1.06 0.00 0.00 176.35 176.07 1wpi s TRP 110 N 1.72 3.21 -0.12 3.48 -0.00 -1.07 -0.44 118.94 125.72 1wpi s TRP 110 Ca 0.06 -0.01 -0.14 0.00 -0.00 0.00 0.00 56.10 56.01 1wpi s TRP 110 Cb -0.17 -2.09 0.04 0.00 -0.00 0.00 0.00 33.47 31.25 1wpi s TRP 110 CO 0.10 0.08 0.38 0.14 -0.00 0.00 0.00 176.95 177.65 1wpi s VAL 111 N 0.51 0.01 0.05 5.86 -7.23 0.33 -1.32 120.40 118.61 1wpi s VAL 111 Ca 0.03 -0.09 0.08 0.00 -1.81 0.00 0.00 61.98 60.18 1wpi s VAL 111 Cb -0.13 -0.56 -0.03 0.00 0.56 0.00 0.00 36.38 36.22 1wpi s VAL 111 CO 0.01 -0.05 -0.22 -0.62 -0.31 0.00 0.00 175.10 173.91 1wpi s ASP 112 N -0.12 2.60 -0.03 4.85 2.15 0.46 -0.25 116.67 126.32 1wpi s ASP 112 Ca -0.03 -0.55 0.05 0.00 0.43 0.00 0.00 52.55 52.45 1wpi s ASP 112 Cb -0.03 -0.21 0.08 0.00 -0.30 0.00 0.00 42.92 42.45 1wpi s ASP 112 CO 0.01 0.17 1.00 -2.67 -0.17 0.00 0.00 175.17 173.52 1wpi n TRP 113 N 1.75 0.00 -0.06 -5.34 4.27 -1.26 -2.29 117.44 114.51 1wpi n TRP 113 Ca -0.17 -0.58 -0.19 0.00 -3.89 0.00 0.00 57.50 52.67 1wpi n TRP 113 Cb 0.53 -0.07 -0.13 0.00 -1.36 0.00 0.00 31.31 30.28 1wpi n TRP 113 CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 1wpi n GLU 114 N -0.70 0.70 -0.01 -2.67 4.71 -1.26 -4.39 120.64 117.02 1wpi n GLU 114 Ca 0.04 0.20 0.05 0.00 -0.01 0.00 0.00 57.16 57.44 1wpi n GLU 114 Cb 0.39 -1.62 0.04 0.00 -1.01 0.00 0.00 31.44 29.24 1wpi n GLU 114 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1wpi n ASN 115 N -3.33 1.80 -1.70 1.62 4.13 -1.26 -4.79 115.26 111.73 1wpi n ASN 115 Ca -0.37 -1.40 -0.09 0.00 1.68 0.00 0.00 54.58 54.39 1wpi n ASN 115 Cb 1.03 -0.01 0.03 0.00 -1.54 0.00 0.00 39.78 39.29 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 0.51 -2.98 -4.61 3.52 -0.00 -1.26 -5.04 118.16 108.30 1wpi n LYS 116 Ca 0.05 0.31 -0.32 0.00 -0.00 0.00 0.00 58.31 58.36 1wpi n LYS 116 Cb 0.23 -3.78 -0.12 0.00 -0.00 0.00 0.00 35.03 31.37 1wpi n LYS 116 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1wpi s LEU 117 N -3.42 2.95 0.08 -5.58 0.05 -0.97 -4.92 118.68 106.87 1wpi s LEU 117 Ca 0.20 -0.21 -0.10 0.00 0.05 0.00 0.00 54.13 54.07 1wpi s LEU 117 Cb -0.09 -1.68 0.01 0.00 -2.05 0.00 0.00 46.19 42.37 1wpi s LEU 117 CO 0.28 0.30 0.22 -0.69 -0.55 0.00 0.00 176.35 175.90 1wpi s VAL 118 N -0.91 0.12 0.00 1.48 1.01 -1.26 0.17 120.40 121.02 1wpi s VAL 118 Ca 0.15 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1wpi s VAL 118 Cb -0.11 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1wpi s VAL 118 CO 0.05 -0.56 0.00 0.61 0.00 0.00 0.00 175.10 175.20 1wpi n GLY 119 N 0.14 1.84 3.65 4.51 0.00 -0.43 -4.96 105.19 109.94 1wpi n GLY 119 Ca -0.16 0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1wpi n GLY 119 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wpi s ASN 120 N 0.00 6.52 0.00 1.61 0.02 -1.24 -2.61 114.94 119.24 1wpi s ASN 120 Ca 0.00 0.62 0.00 0.00 -1.02 0.00 0.00 52.86 52.46 1wpi s ASN 120 Cb 0.00 -2.28 0.00 0.00 0.02 0.00 0.00 41.25 38.99 1wpi s ASN 120 CO 0.00 -0.19 0.00 -0.62 0.02 0.00 0.00 177.10 176.31 1wpi n GLU 121 N 4.91 0.00 0.01 -0.60 1.02 -0.51 -4.87 120.64 120.60 1wpi n GLU 121 Ca -0.05 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.91 1wpi n GLU 121 Cb 0.50 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.83 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 0.00 0.61 0.00 3.49 0.13 -1.95 -3.15 132.00 131.13 1wpi h PRO 122 Ca 0.00 -0.59 -0.06 0.00 -0.87 0.00 0.00 66.00 64.48 1wpi h PRO 122 Cb 0.00 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.27 1wpi h PRO 122 CO 0.00 1.20 -0.27 0.00 -0.23 0.00 0.00 178.00 178.70 1wpi h ALA 123 N 0.42 0.92 -0.25 -0.56 0.00 -1.95 -3.16 119.26 114.68 1wpi h ALA 123 Ca -0.08 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.63 1wpi h ALA 123 Cb 1.44 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1wpi h ALA 123 CO 0.15 0.34 -0.02 -0.44 0.00 0.00 0.00 179.25 179.28 1wpi h ASP 124 N 0.00 -0.15 -0.04 0.00 5.19 -1.89 0.35 116.42 119.88 1wpi h ASP 124 Ca -0.00 0.06 0.02 0.00 -0.62 0.00 0.00 57.03 56.49 1wpi h ASP 124 Cb 0.94 0.12 -0.06 0.00 0.18 0.00 0.00 39.33 40.52 1wpi h ASP 124 CO 0.04 -0.04 -0.54 0.40 -3.12 0.00 0.00 179.24 175.97 1wpi h ILE 125 N 0.05 0.01 -0.68 0.35 2.04 -1.58 2.22 117.51 119.91 1wpi h ILE 125 Ca 0.12 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.09 1wpi h ILE 125 Cb 0.17 0.01 -0.08 0.00 -0.74 0.00 0.00 36.82 36.18 1wpi h ILE 125 CO -0.22 0.00 0.29 -0.78 0.00 0.00 0.00 178.15 177.44 1wpi h ASP 126 N -0.65 0.32 0.98 1.72 1.82 -1.57 3.39 116.42 122.43 1wpi h ASP 126 Ca 0.02 0.08 -0.05 0.00 -0.39 0.00 0.00 57.03 56.69 1wpi h ASP 126 Cb 0.71 0.04 0.01 0.00 0.68 0.00 0.00 39.33 40.77 1wpi h ASP 126 CO -0.38 0.17 -0.47 0.11 -1.61 0.00 0.00 179.24 177.06 1wpi h LYS 127 N 0.49 -1.26 0.00 0.28 6.56 0.15 -3.22 116.57 119.56 1wpi h LYS 127 Ca 0.35 0.09 0.00 0.00 -1.06 0.00 0.00 60.65 60.03 1wpi h LYS 127 Cb 0.44 0.29 0.00 0.00 -0.57 0.00 0.00 32.23 32.39 1wpi h LYS 127 CO -0.32 -0.84 0.00 0.66 -2.06 0.00 0.00 179.45 176.89 1wpi n TYR 128 N -5.64 0.00 -3.43 -1.35 4.01 0.73 -4.79 117.16 106.69 1wpi n TYR 128 Ca -0.16 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.35 1wpi n TYR 128 Cb 0.52 -0.46 -0.11 0.00 -0.31 0.00 0.00 39.34 38.98 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 -1.87 -0.16 0.04 -0.72 -0.00 1.08 -4.91 121.20 114.66 1wpi s ILE 129 Ca 0.00 -1.08 -0.00 0.00 -0.00 0.00 0.00 60.65 59.57 1wpi s ILE 129 Cb 0.00 -0.92 0.01 0.00 -0.00 0.00 0.00 42.46 41.55 1wpi s ILE 129 CO 0.00 -0.71 0.02 2.30 -0.00 0.00 0.00 174.94 176.54 1wpi n ILE 130 N 4.55 0.00 0.02 8.37 -0.00 0.15 -4.26 119.36 128.19 1wpi n ILE 130 Ca 0.06 0.00 0.18 0.00 -0.00 0.00 0.00 62.75 62.99 1wpi n ILE 130 Cb 0.42 -0.02 0.36 0.00 -0.00 0.00 0.00 39.64 40.40 1wpi n ILE 130 CO 0.00 0.00 0.00 0.06 -0.00 0.00 0.00 176.55 176.61 1wpi h GLN 131 N 0.00 0.00 -1.13 6.28 -0.00 -1.85 -2.91 115.11 115.51 1wpi h GLN 131 Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.47 1wpi h GLN 131 Cb 0.02 0.00 -0.19 0.00 -0.00 0.00 0.00 27.48 27.32 1wpi h GLN 131 CO 0.00 0.00 -0.52 -0.98 -0.00 0.00 0.00 178.83 177.33 1wpi s ARG 132 N -4.29 0.99 0.00 0.06 1.04 -1.26 -4.71 118.95 110.78 1wpi s ARG 132 Ca -0.02 -0.96 0.00 0.00 -1.04 0.00 0.00 55.73 53.71 1wpi s ARG 132 Cb 0.09 -0.14 0.00 0.00 -2.04 0.00 0.00 34.95 32.87 1wpi s ARG 132 CO 0.32 -1.30 0.00 1.17 -0.04 0.00 0.00 175.30 175.45