#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpi s SER 2 N 0.00 3.27 -1.22 6.12 1.04 -1.26 -5.03 113.70 116.62 1wpi s SER 2 Ca 0.00 -1.11 -0.04 0.00 0.48 0.00 0.00 55.95 55.28 1wpi s SER 2 Cb 0.00 -0.55 0.19 0.00 0.10 0.00 0.00 66.02 65.76 1wpi s SER 2 CO 0.00 -0.37 2.15 0.49 0.98 0.00 0.00 173.24 176.49 1wpi n PHE 3 N 5.08 2.66 -0.07 5.02 3.72 -1.26 -4.58 117.46 128.02 1wpi n PHE 3 Ca -0.06 -2.73 -0.15 0.00 -0.05 0.00 0.00 57.45 54.46 1wpi n PHE 3 Cb 0.45 -1.61 -0.13 0.00 -0.94 0.00 0.00 39.48 37.25 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 4.54 0.00 0.00 1.38 4.06 -1.96 -3.32 115.95 120.65 1wpi h TRP 4 Ca 0.62 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.57 1wpi h TRP 4 Cb 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.49 1wpi h TRP 4 CO 1.49 1.06 -0.40 0.36 -3.56 0.00 0.00 178.44 177.39 1wpi n LYS 5 N -4.59 0.16 -3.14 0.49 0.00 -1.26 -4.79 118.16 105.03 1wpi n LYS 5 Ca -0.13 0.06 -0.39 0.00 -0.00 0.00 0.00 58.31 57.85 1wpi n LYS 5 Cb 0.51 -1.62 -0.05 0.00 -0.00 0.00 0.00 35.03 33.86 1wpi n LYS 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1wpi s THR 6 N -3.08 5.07 -0.28 0.58 2.01 -1.25 -4.40 115.64 114.28 1wpi s THR 6 Ca 0.09 1.22 -0.17 0.00 0.31 0.00 0.00 61.69 63.15 1wpi s THR 6 Cb 0.15 -3.95 0.10 0.00 0.01 0.00 0.00 72.50 68.82 1wpi s THR 6 CO 0.67 0.21 0.80 -1.48 -0.69 0.00 0.00 174.62 174.13 1wpi s LEU 7 N 1.19 -0.77 0.00 4.42 2.34 -1.26 -4.82 118.68 119.77 1wpi s LEU 7 Ca 0.31 1.26 0.00 0.00 0.06 0.00 0.00 54.13 55.76 1wpi s LEU 7 Cb -0.16 2.17 0.00 0.00 -0.56 0.00 0.00 46.19 47.64 1wpi s LEU 7 CO 0.13 -0.20 0.00 1.67 -1.06 0.00 0.00 176.35 176.89 1wpi n GLN 8 N 3.87 0.00 -1.12 1.48 -0.06 -1.26 -4.60 117.38 115.70 1wpi n GLN 8 Ca -0.19 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.42 1wpi n GLN 8 Cb 0.58 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.73 1wpi n GLN 8 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1wpi n ARG 9 N -0.02 0.00 -2.24 3.69 3.00 -1.26 -4.78 116.66 115.04 1wpi n ARG 9 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.42 1wpi n ARG 9 Cb 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 32.46 31.59 1wpi n ARG 9 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1wpi s GLN 10 N -0.70 4.31 0.46 5.56 -0.21 -1.26 -4.94 119.66 122.88 1wpi s GLN 10 Ca 0.53 1.96 -0.21 0.00 0.02 0.00 0.00 55.36 57.66 1wpi s GLN 10 Cb -0.77 -3.46 -0.09 0.00 1.00 0.00 0.00 33.01 29.70 1wpi s GLN 10 CO 0.44 -0.49 1.04 -1.25 -2.12 0.00 0.00 175.29 172.92 1wpi s PRO 11 N 1.87 3.92 0.00 2.91 0.04 -1.26 -4.64 135.00 137.84 1wpi s PRO 11 Ca 0.63 1.41 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1wpi s PRO 11 Cb -0.32 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1wpi s PRO 11 CO 0.28 -0.34 0.00 0.54 0.04 0.00 0.00 177.00 177.52 1wpi n ARG 12 N -0.67 0.00 -3.16 4.56 3.00 -1.26 -4.92 116.66 114.21 1wpi n ARG 12 Ca 0.08 0.00 -0.40 0.00 -0.01 0.00 0.00 57.85 57.52 1wpi n ARG 12 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.91 1wpi n ARG 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1wpi s THR 13 N 0.00 5.02 -0.25 0.55 2.01 -1.26 -4.45 115.64 117.26 1wpi s THR 13 Ca 0.00 1.05 -0.14 0.00 0.31 0.00 0.00 61.69 62.91 1wpi s THR 13 Cb 0.00 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1wpi s THR 13 CO 0.00 0.06 0.31 -0.63 -0.69 0.00 0.00 174.62 173.67 1wpi s ILE 14 N 2.32 5.24 -0.46 1.82 -1.09 -1.22 -3.65 121.20 124.16 1wpi s ILE 14 Ca 0.25 0.45 -0.14 0.00 -2.23 0.00 0.00 60.65 58.98 1wpi s ILE 14 Cb -0.16 -3.64 0.07 0.00 -1.58 0.00 0.00 42.46 37.16 1wpi s ILE 14 CO 0.09 0.22 0.36 -0.44 -1.23 0.00 0.00 174.94 173.94 1wpi s SER 15 N 1.46 6.01 -0.09 3.58 0.01 0.41 -2.04 113.70 123.04 1wpi s SER 15 Ca 0.13 -1.38 -0.01 0.00 1.31 0.00 0.00 55.95 56.00 1wpi s SER 15 Cb -0.15 -2.13 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 1wpi s SER 15 CO 0.09 -0.62 -0.02 -0.76 0.41 0.00 0.00 173.24 172.34 1wpi s LEU 16 N 1.58 3.44 0.23 2.44 2.01 0.13 0.53 118.68 129.04 1wpi s LEU 16 Ca 0.04 0.08 0.09 0.00 0.01 0.00 0.00 54.13 54.34 1wpi s LEU 16 Cb -0.24 -1.78 -0.04 0.00 0.01 0.00 0.00 46.19 44.14 1wpi s LEU 16 CO 0.05 0.36 0.01 -0.36 1.01 0.00 0.00 176.35 177.42 1wpi s PHE 17 N -0.76 2.77 -0.07 0.29 0.08 0.23 -2.32 117.98 118.21 1wpi s PHE 17 Ca 0.12 -0.19 -0.02 0.00 0.12 0.00 0.00 56.93 56.96 1wpi s PHE 17 Cb -0.11 -1.27 -0.03 0.00 -0.57 0.00 0.00 43.02 41.03 1wpi s PHE 17 CO 0.02 0.58 0.02 0.99 -0.10 0.00 0.00 175.22 176.73 1wpi s THR 18 N -2.11 4.46 -0.44 0.64 2.01 0.45 -2.34 115.64 118.31 1wpi s THR 18 Ca 0.30 -0.25 0.07 0.00 0.31 0.00 0.00 61.69 62.12 1wpi s THR 18 Cb -0.07 -2.91 0.24 0.00 0.01 0.00 0.00 72.50 69.77 1wpi s THR 18 CO 0.20 0.56 0.66 0.59 -0.69 0.00 0.00 174.62 175.94 1wpi n ASN 19 N 1.96 -1.25 -1.05 3.53 3.02 -1.20 -3.92 115.26 116.35 1wpi n ASN 19 Ca -0.18 -2.93 0.10 0.00 -0.03 0.00 0.00 54.58 51.55 1wpi n ASN 19 Cb 0.54 0.45 -0.05 0.00 -0.61 0.00 0.00 39.78 40.11 1wpi n ASN 19 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1wpi n ASP 20 N 1.66 -4.65 0.00 6.41 2.03 -1.26 -2.26 116.55 118.48 1wpi n ASP 20 Ca 0.17 0.76 0.00 0.00 0.52 0.00 0.00 54.79 56.24 1wpi n ASP 20 Cb 0.57 -3.47 0.00 0.00 -0.72 0.00 0.00 41.12 37.50 1wpi n ASP 20 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1wpi n ILE 21 N -3.64 0.00 -4.17 5.18 -5.35 -1.26 -2.96 119.36 107.16 1wpi n ILE 21 Ca -0.04 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.29 1wpi n ILE 21 Cb 0.46 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.29 1wpi n ILE 21 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wpi s ALA 22 N -1.00 1.09 0.00 -1.28 0.00 -1.26 -4.80 121.76 114.50 1wpi s ALA 22 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.30 1wpi s ALA 22 Cb 0.00 1.32 0.00 0.00 0.00 0.00 0.00 23.12 24.44 1wpi s ALA 22 CO 0.00 -0.69 0.00 0.45 0.00 0.00 0.00 175.76 175.52 1wpi n SER 23 N -0.91 0.00 -4.43 0.00 2.88 -1.26 -1.76 113.62 108.14 1wpi n SER 23 Ca 0.03 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.13 1wpi n SER 23 Cb 0.63 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.06 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 0.00 6.25 0.51 -3.46 0.02 -1.26 -4.87 114.94 112.14 1wpi s ASN 24 Ca 0.00 -1.30 0.28 0.00 -1.02 0.00 0.00 52.86 50.82 1wpi s ASN 24 Cb 0.00 -2.38 1.39 0.00 0.02 0.00 0.00 41.25 40.28 1wpi s ASN 24 CO 0.00 -1.28 1.90 0.40 0.02 0.00 0.00 177.10 178.13 1wpi h ILE 25 N 5.92 0.60 0.00 0.60 1.08 -1.72 1.29 117.51 125.28 1wpi h ILE 25 Ca -0.22 -0.03 -0.03 0.00 -0.39 0.00 0.00 64.86 64.19 1wpi h ILE 25 Cb 1.07 0.51 -0.00 0.00 -3.07 0.00 0.00 36.82 35.32 1wpi h ILE 25 CO 1.14 0.02 -0.35 0.11 -0.69 0.00 0.00 178.15 178.38 1wpi h LYS 26 N 0.08 0.00 0.23 2.37 6.56 -1.89 -3.16 116.57 120.77 1wpi h LYS 26 Ca 0.41 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 60.00 1wpi h LYS 26 Cb 1.51 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 33.17 1wpi h LYS 26 CO -0.04 0.30 -0.20 0.77 -2.06 0.00 0.00 179.45 178.22 1wpi h SER 27 N -1.00 -0.54 -1.44 0.86 0.02 -1.71 -1.52 113.55 108.22 1wpi h SER 27 Ca -0.05 0.04 0.42 0.00 -0.84 0.00 0.00 61.79 61.36 1wpi h SER 27 Cb 0.51 0.17 -0.07 0.00 0.14 0.00 0.00 62.40 63.16 1wpi h SER 27 CO -0.03 -0.28 1.02 -0.61 -1.14 0.00 0.00 176.83 175.80 1wpi h GLN 28 N -0.42 0.03 0.00 3.45 5.75 0.14 0.57 115.11 124.64 1wpi h GLN 28 Ca -0.03 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1wpi h GLN 28 Cb 0.36 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.90 1wpi h GLN 28 CO -0.01 0.02 0.00 1.17 -2.65 0.00 0.00 178.83 177.36 1wpi n LYS 29 N -4.18 0.00 -0.12 1.69 3.00 -0.58 -3.63 118.16 114.34 1wpi n LYS 29 Ca 0.33 0.06 -0.25 0.00 -0.00 0.00 0.00 58.31 58.45 1wpi n LYS 29 Cb 1.48 -0.65 -0.10 0.00 0.00 0.00 0.00 35.03 35.76 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 -4.35 0.24 0.04 0.00 7.99 0.17 0.28 117.00 121.37 1wpi n LEU 31 Ca -0.42 1.21 -0.19 0.00 -0.01 0.00 0.00 56.01 56.59 1wpi n LEU 31 Cb 0.77 -0.58 -0.14 0.00 -0.11 0.00 0.00 43.42 43.35 1wpi n LEU 31 CO 0.11 -1.34 0.08 1.56 -1.51 0.00 0.00 177.39 176.29 1wpi h GLN 32 N 0.00 0.29 -0.92 3.23 1.08 -0.69 -2.07 115.11 116.03 1wpi h GLN 32 Ca 0.61 -0.48 0.15 0.00 -1.45 0.00 0.00 58.65 57.48 1wpi h GLN 32 Cb 1.59 0.17 -0.09 0.00 -0.05 0.00 0.00 27.48 29.11 1wpi h GLN 32 CO -0.57 1.22 0.53 1.25 -0.95 0.00 0.00 178.83 180.31 1wpi h LEU 33 N -0.39 0.70 -0.31 1.46 5.85 0.42 0.59 115.31 123.62 1wpi h LEU 33 Ca -0.13 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1wpi h LEU 33 Cb 1.58 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1wpi h LEU 33 CO 0.14 0.32 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.17 1wpi h LEU 34 N 0.76 0.00 0.00 2.25 -0.00 0.21 -2.91 115.31 115.63 1wpi h LEU 34 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.37 1wpi h LEU 34 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 1wpi h LEU 34 CO -0.33 0.31 0.00 1.17 -0.00 0.00 0.00 178.44 179.59 1wpi n LYS 35 N -3.24 0.01 -0.09 1.13 4.81 0.20 -1.88 118.16 119.11 1wpi n LYS 35 Ca 0.02 0.39 -0.17 0.00 -0.87 0.00 0.00 58.31 57.68 1wpi n LYS 35 Cb 0.60 -1.50 -0.11 0.00 0.02 0.00 0.00 35.03 34.04 1wpi n LYS 35 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1wpi h GLY 36 N 0.58 0.00 0.00 3.14 0.00 -1.29 -3.47 103.07 102.02 1wpi h GLY 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wpi h GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 1wpi n ASP 37 N -4.53 0.00 -3.61 0.19 8.00 -0.79 -5.16 116.55 110.65 1wpi n ASP 37 Ca -0.20 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.31 1wpi n ASP 37 Cb 0.55 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.65 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 1.01 0.00 0.12 2.53 0.11 -1.14 -5.05 120.40 117.99 1wpi s VAL 38 Ca 0.00 -0.17 0.06 0.00 -2.93 0.00 0.00 61.98 58.94 1wpi s VAL 38 Cb 0.00 -1.87 -0.04 0.00 -1.53 0.00 0.00 36.38 32.95 1wpi s VAL 38 CO 0.00 0.00 -0.15 -0.94 -3.33 0.00 0.00 175.10 170.68 1wpi s SER 39 N -2.87 2.10 0.00 3.54 1.04 -1.26 -0.54 113.70 115.70 1wpi s SER 39 Ca 0.14 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1wpi s SER 39 Cb 0.04 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1wpi s SER 39 CO -0.04 -0.11 0.00 1.41 0.98 0.00 0.00 173.24 175.48 1wpi n HIS 40 N 0.60 0.00 0.00 5.02 8.25 -1.25 -4.82 115.22 123.02 1wpi n HIS 40 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1wpi n HIS 40 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 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 -3.78 -0.41 5.12 -1.22 -4.11 116.66 112.26 1wpi n ARG 41 Ca 0.00 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.71 1wpi n ARG 41 Cb 0.00 0.00 -0.03 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 -2.48 2.88 -0.17 -1.55 -0.12 -1.16 -5.07 117.98 110.31 1wpi s PHE 42 Ca 0.00 -0.33 -0.08 0.00 -0.05 0.00 0.00 56.93 56.48 1wpi s PHE 42 Cb 0.00 -1.85 -0.04 0.00 -0.63 0.00 0.00 43.02 40.50 1wpi s PHE 42 CO 0.00 0.14 0.08 -0.51 -0.05 0.00 0.00 175.22 174.88 1wpi s ASP 43 N -4.01 5.84 0.06 1.98 1.11 -1.26 -4.69 116.67 115.70 1wpi s ASP 43 Ca 0.42 0.18 -0.21 0.00 0.18 0.00 0.00 52.55 53.11 1wpi s ASP 43 Cb -0.05 -1.97 -0.06 0.00 1.07 0.00 0.00 42.92 41.90 1wpi s ASP 43 CO 0.27 0.23 0.63 -0.69 1.18 0.00 0.00 175.17 176.78 1wpi s VAL 44 N 0.06 4.74 -0.34 -1.27 1.01 -1.26 -3.42 120.40 119.92 1wpi s VAL 44 Ca 0.07 1.34 -0.10 0.00 0.00 0.00 0.00 61.98 63.29 1wpi s VAL 44 Cb -0.12 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.30 1wpi s VAL 44 CO 0.00 0.49 0.17 -1.61 0.00 0.00 0.00 175.10 174.15 1wpi s GLU 45 N -0.70 3.08 -0.43 2.72 2.02 -0.87 -4.96 118.70 119.56 1wpi s GLU 45 Ca 0.32 -0.90 -0.03 0.00 0.02 0.00 0.00 54.97 54.38 1wpi s GLU 45 Cb -0.20 -3.63 0.11 0.00 0.10 0.00 0.00 34.13 30.52 1wpi s GLU 45 CO 0.20 -0.55 0.23 0.42 0.02 0.00 0.00 175.26 175.58 1wpi s ILE 46 N 1.58 3.36 -0.03 -1.63 1.09 -1.24 -0.70 121.20 123.63 1wpi s ILE 46 Ca 0.03 -2.12 -0.02 0.00 -1.10 0.00 0.00 60.65 57.44 1wpi s ILE 46 Cb -0.18 -3.29 0.01 0.00 -1.06 0.00 0.00 42.46 37.94 1wpi s ILE 46 CO 0.06 -0.71 0.07 0.00 -0.10 0.00 0.00 174.94 174.26 1wpi s ALA 47 N 1.05 -0.14 -0.30 9.38 0.00 -0.98 -4.96 121.76 125.82 1wpi s ALA 47 Ca 0.09 0.27 -0.10 0.00 0.00 0.00 0.00 51.96 52.22 1wpi s ALA 47 Cb -0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 1wpi s ALA 47 CO -0.04 -0.06 0.15 -0.80 0.00 0.00 0.00 175.76 175.01 1wpi s ASN 48 N 0.34 5.56 -0.03 0.00 0.01 -1.26 0.17 114.94 119.72 1wpi s ASN 48 Ca -0.03 -0.41 -0.29 0.00 -0.71 0.00 0.00 52.86 51.43 1wpi s ASN 48 Cb -0.04 -2.01 0.10 0.00 0.41 0.00 0.00 41.25 39.71 1wpi s ASN 48 CO -0.01 -0.15 0.85 -0.13 -1.51 0.00 0.00 177.10 176.14 1wpi s ARG 49 N 1.64 0.85 -0.35 -0.60 1.81 -1.25 -4.88 118.95 116.16 1wpi s ARG 49 Ca 0.05 -0.11 -0.29 0.00 -1.72 0.00 0.00 55.73 53.67 1wpi s ARG 49 Cb -0.17 0.40 -0.01 0.00 -0.45 0.00 0.00 34.95 34.72 1wpi s ARG 49 CO 0.07 -0.33 1.66 -0.59 -0.68 0.00 0.00 175.30 175.43 1wpi s PHE 50 N -2.33 2.01 -1.21 -0.53 -0.71 -1.26 -4.81 117.98 109.15 1wpi s PHE 50 Ca -0.00 0.63 -0.09 0.00 -1.04 0.00 0.00 56.93 56.44 1wpi s PHE 50 Cb -0.01 -4.19 -0.07 0.00 -1.21 0.00 0.00 43.02 37.55 1wpi s PHE 50 CO -0.03 -2.65 2.44 -0.35 -1.34 0.00 0.00 175.22 173.29 1wpi n PRO 51 N 8.28 2.72 -1.81 1.99 -0.04 -1.26 -4.89 135.00 139.98 1wpi n PRO 51 Ca 0.21 -1.82 -0.39 0.00 -0.04 0.00 0.00 63.50 61.46 1wpi n PRO 51 Cb 0.47 -2.65 0.03 0.00 -0.04 0.00 0.00 33.50 31.31 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 3.00 2.13 0.59 0.52 -4.23 -1.26 -4.72 115.64 111.66 1wpi s THR 52 Ca 0.52 0.10 0.29 0.00 -1.18 0.00 0.00 61.69 61.42 1wpi s THR 52 Cb 0.14 -3.05 0.35 0.00 1.34 0.00 0.00 72.50 71.27 1wpi s THR 52 CO -0.04 0.00 2.24 -0.50 -0.54 0.00 0.00 174.62 175.79 1wpi h TRP 53 N 1.71 0.00 -0.42 3.99 4.06 -1.94 0.20 115.95 123.56 1wpi h TRP 53 Ca -0.51 0.00 0.05 0.00 2.06 0.00 0.00 58.89 60.49 1wpi h TRP 53 Cb 1.29 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 29.36 1wpi h TRP 53 CO 0.47 0.00 -0.55 -0.44 -3.56 0.00 0.00 178.44 174.37 1wpi h ASP 54 N 0.00 -1.83 0.16 -3.49 3.32 -1.97 0.54 116.42 113.14 1wpi h ASP 54 Ca 0.00 0.24 -0.33 0.00 0.02 0.00 0.00 57.03 56.97 1wpi h ASP 54 Cb 0.02 0.76 0.00 0.00 0.22 0.00 0.00 39.33 40.32 1wpi h ASP 54 CO -0.00 -0.40 -1.68 1.56 -1.72 0.00 0.00 179.24 177.00 1wpi h GLN 55 N -0.39 0.34 -0.02 3.56 4.20 -1.82 -3.29 115.11 117.70 1wpi h GLN 55 Ca 0.08 -0.57 0.00 0.00 0.06 0.00 0.00 58.65 58.22 1wpi h GLN 55 Cb 0.59 0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.59 1wpi h GLN 55 CO -0.60 1.27 0.44 1.25 -0.67 0.00 0.00 178.83 180.53 1wpi h LEU 56 N -0.03 0.00 -1.54 1.46 7.12 -0.42 -1.42 115.31 120.49 1wpi h LEU 56 Ca -0.34 0.00 0.45 0.00 0.13 0.00 0.00 57.88 58.12 1wpi h LEU 56 Cb 1.99 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 42.06 1wpi h LEU 56 CO 0.13 0.00 1.30 1.67 -0.13 0.00 0.00 178.44 181.41 1wpi n GLN 57 N -2.85 0.01 -0.05 1.25 7.27 0.19 0.26 117.38 123.45 1wpi n GLN 57 Ca -0.01 1.02 -0.14 0.00 0.07 0.00 0.00 57.00 57.94 1wpi n GLN 57 Cb 0.49 -2.43 -0.08 0.00 2.41 0.00 0.00 30.24 30.63 1wpi n GLN 57 CO 0.00 0.00 0.00 0.10 0.07 0.00 0.00 177.06 177.23 1wpi h TYR 58 N 0.00 0.51 0.02 3.69 -0.00 -1.54 -3.21 116.97 116.44 1wpi h TYR 58 Ca 0.73 -0.19 -0.21 0.00 -0.00 0.00 0.00 58.73 59.06 1wpi h TYR 58 Cb 3.33 -0.09 -0.01 0.00 -0.00 0.00 0.00 36.73 39.95 1wpi h TYR 58 CO 0.00 0.89 -0.94 1.98 -0.00 0.00 0.00 178.16 180.09 1wpi h MET 59 N -0.01 0.22 -0.00 0.10 4.05 0.32 -3.07 114.93 116.53 1wpi h MET 59 Ca 0.00 -0.26 0.00 0.00 -0.28 0.00 0.00 59.70 59.16 1wpi h MET 59 Cb 0.87 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.75 1wpi h MET 59 CO 0.06 1.01 0.21 -0.09 0.23 0.00 0.00 176.91 178.33 1wpi h ARG 60 N 0.11 0.00 0.06 0.39 2.43 -0.33 -0.44 114.38 116.60 1wpi h ARG 60 Ca -0.06 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.84 1wpi h ARG 60 Cb 1.59 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.12 1wpi h ARG 60 CO 0.15 0.00 -1.44 1.79 -1.51 0.00 0.00 179.97 178.95 1wpi h THR 61 N 0.00 0.90 0.00 0.20 1.35 -1.54 -3.33 112.91 110.49 1wpi h THR 61 Ca 0.00 -2.28 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 1wpi h THR 61 Cb 0.42 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1wpi h THR 61 CO -0.00 0.56 0.00 -1.20 -0.25 0.00 0.00 175.52 174.63 1wpi n SER 62 N -4.08 0.22 -3.62 5.36 7.64 -0.32 -4.59 113.62 114.24 1wpi n SER 62 Ca -0.30 0.59 -0.14 0.00 1.01 0.00 0.00 58.87 60.03 1wpi n SER 62 Cb 0.82 -0.62 -0.07 0.00 -1.01 0.00 0.00 64.21 63.33 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 4.56 0.00 -0.63 0.00 0.13 -1.81 -2.92 132.00 131.33 1wpi h PRO 64 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1wpi h PRO 64 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1wpi h PRO 64 CO 0.11 0.72 0.00 1.04 -0.23 0.00 0.00 178.00 179.64 1wpi n GLN 65 N -3.63 2.70 -0.17 0.86 6.02 -1.26 -4.49 117.38 117.42 1wpi n GLN 65 Ca -0.01 -2.31 -0.05 0.00 -0.01 0.00 0.00 57.00 54.63 1wpi n GLN 65 Cb 0.71 -1.58 0.01 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 4.57 -0.02 0.34 1.08 0.00 -1.76 0.60 103.07 107.88 1wpi h GLY 66 Ca 0.00 0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 1wpi h GLY 66 CO 0.06 -0.21 -0.09 -0.56 0.00 0.00 0.00 176.54 175.73 1wpi h PRO 67 N -0.16 0.07 -1.09 4.80 0.13 -1.83 -3.16 132.00 130.76 1wpi h PRO 67 Ca 0.22 -0.07 0.31 0.00 -0.87 0.00 0.00 66.00 65.59 1wpi h PRO 67 Cb 0.52 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.61 1wpi h PRO 67 CO -0.61 0.80 0.77 -0.24 -0.23 0.00 0.00 178.00 178.49 1wpi h VAL 68 N -0.63 0.46 -0.22 1.56 3.04 -1.73 1.48 116.25 120.21 1wpi h VAL 68 Ca -0.01 -0.03 -0.10 0.00 -1.01 0.00 0.00 66.70 65.55 1wpi h VAL 68 Cb 0.83 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 30.47 1wpi h VAL 68 CO 0.02 0.02 -0.30 0.77 -1.01 0.00 0.00 177.57 177.07 1wpi h SER 69 N 0.08 0.45 -0.05 3.17 4.64 0.23 0.58 113.55 122.65 1wpi h SER 69 Ca 0.54 -0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 61.62 1wpi h SER 69 Cb 1.98 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 1wpi h SER 69 CO -0.07 0.73 -0.25 -0.07 -0.87 0.00 0.00 176.83 176.30 1wpi h LEU 70 N 0.39 0.31 -0.47 5.97 3.38 0.20 0.11 115.31 125.19 1wpi h LEU 70 Ca 0.05 -0.66 -0.06 0.00 0.09 0.00 0.00 57.88 57.30 1wpi h LEU 70 Cb 0.72 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1wpi h LEU 70 CO 0.05 0.92 0.05 1.56 0.09 0.00 0.00 178.44 181.12 1wpi h GLN 71 N -0.29 0.80 0.00 1.13 1.08 -0.92 -2.23 115.11 114.68 1wpi h GLN 71 Ca -0.02 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 1wpi h GLN 71 Cb 0.92 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1wpi h GLN 71 CO 0.05 0.82 0.00 0.00 -0.95 0.00 0.00 178.83 178.75 1wpi h ARG 72 N 0.66 0.00 -0.57 1.46 3.08 0.12 -3.06 114.38 116.07 1wpi h ARG 72 Ca 0.14 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 1wpi h ARG 72 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1wpi h ARG 72 CO 0.01 0.00 0.12 0.37 -1.07 0.00 0.00 179.97 179.40 1wpi h GLN 73 N 0.00 0.92 -7.20 0.04 -0.00 -0.14 -3.44 115.11 105.29 1wpi h GLN 73 Ca 0.00 -0.23 -0.42 0.00 -0.00 0.00 0.00 58.65 57.99 1wpi h GLN 73 Cb 0.64 -0.11 0.20 0.00 0.00 0.00 0.00 27.48 28.20 1wpi h GLN 73 CO 0.00 0.87 0.03 -1.50 0.00 0.00 0.00 178.83 178.23 1wpi s ILE 74 N -5.25 1.76 0.06 2.39 2.07 -1.15 -4.72 121.20 116.35 1wpi s ILE 74 Ca -0.12 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 58.96 1wpi s ILE 74 Cb 0.13 -2.21 -0.21 0.00 0.13 0.00 0.00 42.46 40.29 1wpi s ILE 74 CO 0.82 0.00 1.20 1.55 -1.91 0.00 0.00 174.94 176.60 1wpi h PRO 75 N -2.69 0.64 -3.56 3.50 0.13 -1.85 -3.38 132.00 124.79 1wpi h PRO 75 Ca -0.54 -0.62 -0.72 0.00 -0.87 0.00 0.00 66.00 63.25 1wpi h PRO 75 Cb 1.33 0.16 -0.33 0.00 0.13 0.00 0.00 31.00 32.29 1wpi h PRO 75 CO 0.45 1.23 -0.20 0.15 -0.23 0.00 0.00 178.00 179.40 1wpi s LYS 76 N -3.44 2.96 -0.00 0.86 1.02 -1.26 -4.92 119.74 114.96 1wpi s LYS 76 Ca -0.11 -2.71 -0.21 0.00 0.02 0.00 0.00 55.97 52.96 1wpi s LYS 76 Cb 0.06 -3.93 -0.11 0.00 -0.52 0.00 0.00 37.83 33.33 1wpi s LYS 76 CO 0.88 -1.22 0.92 -0.07 -0.92 0.00 0.00 175.35 174.95 1wpi h LEU 77 N 6.92 -0.63 -1.50 3.17 -0.00 -1.76 -1.92 115.31 119.60 1wpi h LEU 77 Ca 0.05 0.02 0.40 0.00 -0.00 0.00 0.00 57.88 58.36 1wpi h LEU 77 Cb 0.94 0.16 -0.06 0.00 -0.00 0.00 0.00 40.66 41.70 1wpi h LEU 77 CO 0.76 -0.28 1.26 -0.78 -0.00 0.00 0.00 178.44 179.39 1wpi h ASP 78 N -1.09 0.00 0.16 -0.43 3.58 -1.91 10.90 116.42 127.63 1wpi h ASP 78 Ca -0.08 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 1wpi h ASP 78 Cb 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1wpi h ASP 78 CO 0.13 0.00 -0.08 -1.28 -2.88 0.00 0.00 179.24 175.13 1wpi h SER 79 N 0.00 -0.18 0.82 2.28 0.87 -1.88 -3.21 113.55 112.25 1wpi h SER 79 Ca 0.66 0.01 -0.22 0.00 -1.23 0.00 0.00 61.79 61.00 1wpi h SER 79 Cb 3.17 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 65.16 1wpi h SER 79 CO -0.01 0.22 -1.04 1.62 -0.53 0.00 0.00 176.83 177.09 1wpi h VAL 80 N -0.90 1.61 0.00 2.23 3.04 0.69 2.02 116.25 124.94 1wpi h VAL 80 Ca -0.02 -3.16 0.00 0.00 -1.01 0.00 0.00 66.70 62.51 1wpi h VAL 80 Cb 0.16 2.80 0.00 0.00 -2.01 0.00 0.00 31.29 32.24 1wpi h VAL 80 CO 0.04 0.91 0.08 0.25 -1.01 0.00 0.00 177.57 177.83 1wpi h LEU 81 N 0.04 0.00 0.00 3.16 7.12 2.36 -3.37 115.31 124.61 1wpi h LEU 81 Ca -0.05 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.96 1wpi h LEU 81 Cb 1.77 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.90 1wpi h LEU 81 CO 0.15 0.00 0.00 1.17 -0.13 0.00 0.00 178.44 179.63 1wpi n LYS 82 N -2.31 0.00 0.00 1.25 3.00 -1.15 -4.94 118.16 114.00 1wpi n LYS 82 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1wpi n LYS 82 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.14 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 0.00 0.00 0.00 5.64 9.36 -1.04 -4.94 117.16 126.18 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 2.87 -0.23 2.98 4.81 0.68 -3.11 118.16 126.16 1wpi n LYS 84 Ca 0.00 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 57.63 1wpi n LYS 84 Cb 0.37 0.00 0.31 0.00 0.02 0.00 0.00 35.03 35.73 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 0.22 -0.37 5.64 8.25 -1.25 0.36 115.22 128.07 1wpi n HIS 85 Ca 0.00 0.22 0.38 0.00 -0.26 0.00 0.00 57.72 58.06 1wpi n HIS 85 Cb 0.00 -0.54 0.75 0.00 1.12 0.00 0.00 29.99 31.32 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 -1.74 -3.04 112.91 111.05 1wpi h THR 86 Ca 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.79 1wpi h THR 86 Cb 1.34 0.32 0.00 0.00 -1.07 0.00 0.00 68.15 68.74 1wpi h THR 86 CO -0.15 0.00 0.00 -0.67 -0.01 0.00 0.00 175.52 174.69 1wpi n ASP 87 N -4.05 0.00 -0.53 0.00 2.03 1.13 -3.93 116.55 111.19 1wpi n ASP 87 Ca 0.28 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.59 1wpi n ASP 87 Cb 1.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.78 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 -0.02 -0.67 -0.04 -1.26 -2.81 135.00 130.95 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 -1.36 -0.13 0.00 -0.04 0.00 0.00 33.50 31.97 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 0.02 0.86 0.00 0.52 1.03 -1.77 -3.40 112.91 110.17 1wpi h THR 89 Ca 0.00 -2.33 -0.02 0.00 -0.01 0.00 0.00 66.41 64.05 1wpi h THR 89 Cb 0.40 2.53 -0.00 0.00 -1.07 0.00 0.00 68.15 70.00 1wpi h THR 89 CO 0.00 0.68 -1.79 0.49 -0.01 0.00 0.00 175.52 174.89 1wpi n PHE 90 N -3.89 0.00 0.00 0.00 3.72 -1.15 -4.02 117.46 112.12 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 0.90 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 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 1.58 -1.16 0.00 1.37 0.00 -1.12 -1.09 105.19 104.76 1wpi n GLY 91 Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.90 1.61 -0.00 -1.26 -1.97 117.12 111.60 1wpi n MET 92 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.70 57.36 1wpi n MET 92 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 33.22 33.09 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 -4.35 4.95 -0.18 3.17 1.01 -1.25 -4.50 116.67 115.52 1wpi s ASP 93 Ca 0.00 -1.71 -0.15 0.00 0.71 0.00 0.00 52.55 51.39 1wpi s ASP 93 Cb 0.00 -1.72 -0.11 0.00 1.01 0.00 0.00 42.92 42.10 1wpi s ASP 93 CO 0.00 -0.37 -0.04 -0.11 0.21 0.00 0.00 175.17 174.85 1wpi n LEU 94 N 4.52 1.85 -0.00 1.23 7.94 -0.25 -3.50 117.00 128.80 1wpi n LEU 94 Ca -0.06 0.50 0.22 0.00 -1.11 0.00 0.00 56.01 55.56 1wpi n LEU 94 Cb 0.42 -0.90 0.73 0.00 0.53 0.00 0.00 43.42 44.20 1wpi n LEU 94 CO 0.27 -0.06 1.20 1.56 -1.11 0.00 0.00 177.39 179.26 1wpi h GLN 95 N -1.00 0.00 -0.06 1.96 1.08 -1.90 1.09 115.11 116.29 1wpi h GLN 95 Ca -0.21 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.01 1wpi h GLN 95 Cb 0.97 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.40 1wpi h GLN 95 CO -0.13 0.00 0.04 0.87 -0.95 0.00 0.00 178.83 178.66 1wpi h LYS 96 N 0.00 0.00 0.00 1.46 1.79 -1.86 6.34 116.57 124.30 1wpi h LYS 96 Ca 0.27 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.42 1wpi h LYS 96 Cb 1.23 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.82 1wpi h LYS 96 CO -0.00 0.00 -2.19 0.00 -1.08 0.00 0.00 179.45 176.18 1wpi h VAL 98 N -0.12 0.00 -1.40 0.00 2.07 0.10 -2.91 116.25 113.99 1wpi h VAL 98 Ca -0.48 -0.48 0.41 0.00 0.82 0.00 0.00 66.70 66.97 1wpi h VAL 98 Cb 1.68 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 32.79 1wpi h VAL 98 CO -0.11 0.00 1.07 0.00 0.02 0.00 0.00 177.57 178.55 1wpi n GLN 99 N -2.48 0.00 0.00 1.57 10.64 2.05 -4.34 117.38 124.83 1wpi n GLN 99 Ca 0.04 0.82 0.00 0.00 -1.83 0.00 0.00 57.00 56.03 1wpi n GLN 99 Cb 0.37 -1.93 0.00 0.00 -0.86 0.00 0.00 30.24 27.82 1wpi n GLN 99 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1wpi n ARG 100 N -3.35 0.00 0.00 2.61 3.00 -1.24 -4.91 116.66 112.77 1wpi n ARG 100 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.16 1wpi n ARG 100 Cb 1.49 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.95 1wpi n ARG 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wpi n GLY 101 N 0.00 -2.34 3.03 5.14 0.00 -1.10 -4.47 105.19 105.45 1wpi n GLY 101 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.25 -4.11 117.00 116.60 1wpi n LEU 102 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 1wpi n LEU 102 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 1wpi n LEU 102 CO 0.00 0.00 -0.30 0.26 -1.11 0.00 0.00 177.39 176.24 1wpi s TRP 103 N 0.00 0.26 -0.48 1.96 0.52 -1.26 -5.12 118.94 114.82 1wpi s TRP 103 Ca 0.00 -0.57 -0.24 0.00 0.02 0.00 0.00 56.10 55.31 1wpi s TRP 103 Cb 0.00 -0.19 0.03 0.00 -1.15 0.00 0.00 33.47 32.16 1wpi s TRP 103 CO 0.00 -0.28 0.89 0.54 0.02 0.00 0.00 176.95 178.12 1wpi s ASN 104 N -1.90 6.43 0.19 2.95 2.20 -1.26 -4.79 114.94 118.76 1wpi s ASN 104 Ca -0.09 -0.08 0.04 0.00 -0.94 0.00 0.00 52.86 51.79 1wpi s ASN 104 Cb -0.04 -2.43 0.07 0.00 -2.00 0.00 0.00 41.25 36.85 1wpi s ASN 104 CO -0.03 -1.06 1.43 1.55 -2.94 0.00 0.00 177.10 176.05 1wpi h PRO 105 N 9.12 0.18 -4.15 3.55 0.13 -1.86 -3.44 132.00 135.52 1wpi h PRO 105 Ca -0.25 -0.17 -0.03 0.00 -0.87 0.00 0.00 66.00 64.69 1wpi h PRO 105 Cb 1.08 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1wpi h PRO 105 CO 1.03 0.88 -0.04 0.36 -0.23 0.00 0.00 178.00 180.00 1wpi n LYS 106 N -3.70 -2.43 -4.28 0.86 -0.00 -0.96 -4.82 118.16 102.84 1wpi n LYS 106 Ca -0.03 0.01 -0.27 0.00 -0.00 0.00 0.00 58.31 58.02 1wpi n LYS 106 Cb 0.75 -3.43 -0.09 0.00 -0.00 0.00 0.00 35.03 32.26 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 -3.90 2.09 -0.09 -1.58 2.02 -1.18 -4.84 118.70 111.21 1wpi s GLU 107 Ca 0.03 -1.23 0.02 0.00 0.02 0.00 0.00 54.97 53.82 1wpi s GLU 107 Cb -0.02 -2.19 -0.02 0.00 0.10 0.00 0.00 34.13 32.00 1wpi s GLU 107 CO 0.04 0.45 -0.16 0.00 0.02 0.00 0.00 175.26 175.61 1wpi s ALA 108 N -1.64 2.54 -0.34 5.21 0.00 -1.26 -3.24 121.76 123.03 1wpi s ALA 108 Ca 0.25 -0.94 -0.20 0.00 0.00 0.00 0.00 51.96 51.07 1wpi s ALA 108 Cb -0.09 -1.04 -0.00 0.00 0.00 0.00 0.00 23.12 21.99 1wpi s ALA 108 CO 0.15 0.37 0.60 -0.51 0.00 0.00 0.00 175.76 176.37 1wpi s LEU 109 N -0.05 4.26 -0.27 0.00 2.01 -0.99 -1.81 118.68 121.83 1wpi s LEU 109 Ca -0.04 0.15 -0.10 0.00 0.01 0.00 0.00 54.13 54.15 1wpi s LEU 109 Cb -0.14 -2.73 -0.04 0.00 0.01 0.00 0.00 46.19 43.29 1wpi s LEU 109 CO 0.04 -0.54 0.14 -1.66 1.01 0.00 0.00 176.35 175.35 1wpi s TRP 110 N 2.60 3.16 -0.09 0.29 1.48 -1.12 0.78 118.94 126.05 1wpi s TRP 110 Ca 0.23 -0.17 -0.04 0.00 -1.06 0.00 0.00 56.10 55.06 1wpi s TRP 110 Cb -0.15 -2.33 0.04 0.00 -1.16 0.00 0.00 33.47 29.88 1wpi s TRP 110 CO 0.14 -0.27 0.21 0.14 -4.06 0.00 0.00 176.95 173.10 1wpi s VAL 111 N 1.69 -0.04 0.01 -0.66 -7.23 0.19 0.06 120.40 114.42 1wpi s VAL 111 Ca 0.07 0.15 0.07 0.00 -1.81 0.00 0.00 61.98 60.46 1wpi s VAL 111 Cb -0.16 -0.33 -0.02 0.00 0.56 0.00 0.00 36.38 36.43 1wpi s VAL 111 CO 0.08 0.06 -0.23 -1.81 -0.31 0.00 0.00 175.10 172.89 1wpi s ASP 112 N 1.16 2.69 0.00 4.85 1.01 1.25 0.16 116.67 127.79 1wpi s ASP 112 Ca -0.09 -0.47 0.00 0.00 0.71 0.00 0.00 52.55 52.70 1wpi s ASP 112 Cb -0.10 -0.27 0.00 0.00 1.01 0.00 0.00 42.92 43.56 1wpi s ASP 112 CO -0.07 0.24 0.00 0.79 0.21 0.00 0.00 175.17 176.34 1wpi n TRP 113 N 2.20 0.00 0.16 4.23 7.02 -1.24 -3.07 117.44 126.73 1wpi n TRP 113 Ca -0.16 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.35 1wpi n TRP 113 Cb 0.52 0.00 0.19 0.00 -2.42 0.00 0.00 31.31 29.61 1wpi n TRP 113 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1wpi n GLU 114 N 0.00 0.06 0.00 -0.99 1.02 -1.26 0.48 120.64 119.95 1wpi n GLU 114 Ca 0.00 0.51 0.13 0.00 -0.02 0.00 0.00 57.16 57.79 1wpi n GLU 114 Cb 0.00 -2.17 0.48 0.00 -0.02 0.00 0.00 31.44 29.73 1wpi n GLU 114 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1wpi n ASN 115 N -1.89 0.78 -4.10 1.62 3.02 -1.26 -4.47 115.26 108.96 1wpi n ASN 115 Ca -0.00 -0.74 -0.34 0.00 -0.03 0.00 0.00 54.58 53.47 1wpi n ASN 115 Cb 0.50 0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 39.68 1wpi n ASN 115 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1wpi n LYS 116 N -0.79 -2.38 -3.78 3.52 -0.00 1.76 -4.45 118.16 112.05 1wpi n LYS 116 Ca 0.13 0.28 -0.19 0.00 -0.00 0.00 0.00 58.31 58.53 1wpi n LYS 116 Cb 0.32 -4.95 -0.17 0.00 -0.00 0.00 0.00 35.03 30.23 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 -7.00 0.62 0.07 -5.58 2.01 -1.18 -5.00 118.68 102.63 1wpi s LEU 117 Ca 0.68 0.00 -0.05 0.00 0.01 0.00 0.00 54.13 54.77 1wpi s LEU 117 Cb -0.38 -0.23 -0.02 0.00 0.01 0.00 0.00 46.19 45.57 1wpi s LEU 117 CO 0.84 -0.18 0.09 0.68 1.01 0.00 0.00 176.35 178.79 1wpi s VAL 118 N 1.70 0.18 -2.51 -1.59 -7.23 -1.26 0.39 120.40 110.08 1wpi s VAL 118 Ca -0.00 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 1wpi s VAL 118 Cb -0.13 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.42 1wpi s VAL 118 CO -0.03 -0.80 0.00 0.61 -0.31 0.00 0.00 175.10 174.57 1wpi n GLY 119 N 0.06 -1.10 3.36 2.32 0.00 0.11 -4.93 105.19 105.00 1wpi n GLY 119 Ca -0.15 -0.97 -0.18 0.00 0.00 0.00 0.00 46.02 44.72 1wpi n GLY 119 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wpi s ASN 120 N -4.00 2.27 0.00 1.61 2.47 -1.26 -2.78 114.94 113.25 1wpi s ASN 120 Ca 0.00 -1.15 0.00 0.00 0.42 0.00 0.00 52.86 52.13 1wpi s ASN 120 Cb 0.00 -0.08 0.00 0.00 -1.45 0.00 0.00 41.25 39.72 1wpi s ASN 120 CO 0.00 -0.37 0.00 -0.62 -3.72 0.00 0.00 177.10 172.39 1wpi n GLU 121 N -0.44 0.00 0.00 0.43 1.02 -0.75 -4.50 120.64 116.40 1wpi n GLU 121 Ca -0.06 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.90 1wpi n GLU 121 Cb 0.63 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.95 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 0.54 0.00 3.49 0.13 -1.94 -3.12 132.00 131.11 1wpi h PRO 122 Ca 0.00 -0.53 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 1wpi h PRO 122 Cb 0.00 0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.26 1wpi h PRO 122 CO 0.00 1.15 -0.08 0.00 -0.23 0.00 0.00 178.00 178.85 1wpi h ALA 123 N 0.40 1.66 -1.00 -0.56 0.00 -1.92 -1.24 119.26 116.60 1wpi h ALA 123 Ca -0.07 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1wpi h ALA 123 Cb 1.36 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 1wpi h ALA 123 CO 0.14 0.10 0.64 -0.44 0.00 0.00 0.00 179.25 179.69 1wpi h ASP 124 N 0.00 1.01 -0.17 0.00 5.19 -1.77 -1.81 116.42 118.87 1wpi h ASP 124 Ca -0.00 0.02 0.05 0.00 -0.62 0.00 0.00 57.03 56.48 1wpi h ASP 124 Cb 0.16 -0.19 -0.07 0.00 0.18 0.00 0.00 39.33 39.41 1wpi h ASP 124 CO 0.01 0.61 -0.35 0.40 -3.12 0.00 0.00 179.24 176.80 1wpi h ILE 125 N 1.12 0.24 -0.64 0.35 2.04 -1.31 0.48 117.51 119.80 1wpi h ILE 125 Ca 0.45 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.43 1wpi h ILE 125 Cb 0.26 0.24 -0.09 0.00 -0.74 0.00 0.00 36.82 36.49 1wpi h ILE 125 CO -0.20 0.00 0.19 -0.78 0.00 0.00 0.00 178.15 177.37 1wpi h ASP 126 N -0.40 0.12 0.11 1.72 1.82 -1.45 2.92 116.42 121.26 1wpi h ASP 126 Ca 0.10 0.10 0.01 0.00 -0.39 0.00 0.00 57.03 56.86 1wpi h ASP 126 Cb 0.56 0.12 -0.05 0.00 0.68 0.00 0.00 39.33 40.64 1wpi h ASP 126 CO -0.39 0.06 -0.51 0.11 -1.61 0.00 0.00 179.24 176.89 1wpi h LYS 127 N 0.34 -0.70 0.00 0.28 6.56 -0.44 -3.21 116.57 119.40 1wpi h LYS 127 Ca 0.34 0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.98 1wpi h LYS 127 Cb 0.49 0.16 0.00 0.00 -0.57 0.00 0.00 32.23 32.31 1wpi h LYS 127 CO -0.38 -0.46 0.00 0.66 -2.06 0.00 0.00 179.45 177.20 1wpi n TYR 128 N -5.36 0.00 -3.69 -1.35 4.01 -0.04 -4.39 117.16 106.34 1wpi n TYR 128 Ca -0.08 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.36 1wpi n TYR 128 Cb 0.40 -0.42 -0.14 0.00 -0.31 0.00 0.00 39.34 38.87 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 -0.91 0.82 0.00 -0.72 -5.25 0.96 -4.32 121.20 111.78 1wpi s ILE 129 Ca 0.00 -1.56 0.00 0.00 -0.99 0.00 0.00 60.65 58.10 1wpi s ILE 129 Cb 0.00 -1.61 0.00 0.00 2.95 0.00 0.00 42.46 43.80 1wpi s ILE 129 CO 0.00 -0.74 0.00 2.30 -1.79 0.00 0.00 174.94 174.71 1wpi n ILE 130 N 4.60 0.00 -0.04 8.37 -5.35 -0.22 -3.97 119.36 122.75 1wpi n ILE 130 Ca 0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 1wpi n ILE 130 Cb 0.40 0.00 -0.12 0.00 -1.74 0.00 0.00 39.64 38.18 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 0.99 0.00 6.28 0.00 -1.23 -4.44 117.38 118.99 1wpi n GLN 131 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 57.00 56.92 1wpi n GLN 131 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 30.24 28.85 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 -2.32 3.40 -0.81 2.61 0.00 0.29 -3.97 116.66 115.87 1wpi n ARG 132 Ca -0.14 -0.10 0.00 0.00 -0.00 0.00 0.00 57.85 57.61 1wpi n ARG 132 Cb 0.71 -0.49 0.00 0.00 -0.00 0.00 0.00 32.46 32.68 1wpi n ARG 132 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80