#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wii n SER 2 N 0.00 0.00 -3.48 1.61 7.64 -1.26 -5.14 113.62 112.99 1wii n SER 2 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 1wii n SER 2 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1wii n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wii n SER 3 N 0.00 -1.12 0.00 6.43 2.88 -1.26 -4.90 113.62 115.65 1wii n SER 3 Ca 0.00 0.87 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 1wii n SER 3 Cb 0.00 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 1wii n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wii n GLY 4 N 1.61 1.84 3.61 0.46 0.00 -1.26 -5.19 105.19 106.26 1wii n GLY 4 Ca 0.14 -1.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.06 1wii n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wii s SER 5 N 0.00 -0.06 0.42 1.61 0.15 -1.26 -5.19 113.70 109.38 1wii s SER 5 Ca 0.00 -0.04 0.07 0.00 0.70 0.00 0.00 55.95 56.68 1wii s SER 5 Cb 0.00 0.09 -0.05 0.00 -1.71 0.00 0.00 66.02 64.34 1wii s SER 5 CO 0.00 -0.15 0.15 -0.44 1.20 0.00 0.00 173.24 174.00 1wii s SER 6 N -2.51 4.31 0.00 5.45 0.01 -1.26 -5.11 113.70 114.59 1wii s SER 6 Ca 0.12 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.21 1wii s SER 6 Cb 0.02 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 65.88 1wii s SER 6 CO -0.04 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.65 1wii n GLY 7 N -1.21 -0.03 3.77 3.44 0.00 -1.26 -5.04 105.19 104.86 1wii n GLY 7 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1wii n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wii s ARG 8 N -0.34 4.54 0.08 1.61 6.06 -1.26 -4.82 118.95 124.83 1wii s ARG 8 Ca 0.00 1.48 0.00 0.00 -2.50 0.00 0.00 55.73 54.71 1wii s ARG 8 Cb 0.00 -2.88 0.00 0.00 0.06 0.00 0.00 34.95 32.13 1wii s ARG 8 CO 0.00 0.21 0.00 1.63 -2.50 0.00 0.00 175.30 174.64 1wii n LYS 9 N 0.66 0.00 -2.14 5.12 5.02 -1.26 -5.11 118.16 120.45 1wii n LYS 9 Ca 0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.88 1wii n LYS 9 Cb 0.49 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.47 1wii n LYS 9 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1wii s PRO 10 N -1.44 4.03 0.94 1.97 0.04 -1.26 -5.01 135.00 134.28 1wii s PRO 10 Ca 0.00 1.86 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 1wii s PRO 10 Cb 0.00 -3.96 0.16 0.00 0.04 0.00 0.00 34.50 30.73 1wii s PRO 10 CO 0.00 -1.00 1.09 -1.25 0.04 0.00 0.00 177.00 175.88 1wii s PRO 11 N 4.19 0.89 0.75 0.56 0.04 -1.26 -5.02 135.00 135.15 1wii s PRO 11 Ca 0.69 0.69 -0.11 0.00 0.04 0.00 0.00 61.00 62.30 1wii s PRO 11 Cb -0.27 -1.78 0.05 0.00 0.04 0.00 0.00 34.50 32.54 1wii s PRO 11 CO 0.26 -2.46 1.10 -1.25 0.04 0.00 0.00 177.00 174.69 1wii s PRO 12 N -4.95 2.35 -0.16 0.56 0.04 -1.26 -5.00 135.00 126.58 1wii s PRO 12 Ca 0.64 1.21 -0.24 0.00 0.04 0.00 0.00 61.00 62.65 1wii s PRO 12 Cb -0.18 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1wii s PRO 12 CO 0.57 -1.58 0.78 0.15 0.04 0.00 0.00 177.00 176.96 1wii s LYS 13 N -4.75 4.29 0.11 4.56 1.02 -1.26 -4.90 119.74 118.81 1wii s LYS 13 Ca 0.62 0.92 0.00 0.00 0.02 0.00 0.00 55.97 57.54 1wii s LYS 13 Cb -0.18 -3.56 0.00 0.00 -0.52 0.00 0.00 37.83 33.57 1wii s LYS 13 CO 0.53 -0.27 0.00 1.63 -0.92 0.00 0.00 175.35 176.32 1wii n LYS 14 N 5.05 0.00 0.00 1.68 4.01 -1.26 -5.02 118.16 122.62 1wii n LYS 14 Ca 0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 1wii n LYS 14 Cb 0.49 -0.44 0.00 0.00 -0.51 0.00 0.00 35.03 34.57 1wii n LYS 14 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1wii n LYS 15 N -3.46 0.00 -4.02 1.97 4.81 -1.26 -4.70 118.16 111.50 1wii n LYS 15 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 1wii n LYS 15 Cb 0.03 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 34.92 1wii n LYS 15 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1wii s MET 16 N 0.00 2.28 -0.32 1.64 -1.94 -1.26 -5.09 119.30 114.61 1wii s MET 16 Ca 0.00 -0.62 -0.01 0.00 -1.71 0.00 0.00 55.69 53.36 1wii s MET 16 Cb 0.00 -2.18 0.10 0.00 2.01 0.00 0.00 34.83 34.77 1wii s MET 16 CO 0.00 -0.27 0.10 0.95 -0.01 0.00 0.00 175.02 175.80 1wii s THR 17 N 1.47 0.92 -0.46 2.05 -4.23 -1.26 -5.04 115.64 109.09 1wii s THR 17 Ca 0.04 -1.48 0.08 0.00 -1.18 0.00 0.00 61.69 59.15 1wii s THR 17 Cb -0.13 -1.70 0.18 0.00 1.34 0.00 0.00 72.50 72.19 1wii s THR 17 CO -0.10 -0.69 0.67 -0.83 -0.54 0.00 0.00 174.62 173.13 1wii s GLY 18 N 1.53 -1.26 0.04 3.99 0.00 -1.26 -5.15 107.32 105.21 1wii s GLY 18 Ca 0.10 -0.07 0.03 0.00 0.00 0.00 0.00 44.72 44.79 1wii s GLY 18 CO -0.23 3.66 -0.02 -1.59 0.00 0.00 0.00 173.10 174.92 1wii s THR 19 N 1.41 3.95 -0.81 0.90 2.01 -1.26 -5.07 115.64 116.77 1wii s THR 19 Ca 0.22 -0.82 -0.19 0.00 0.31 0.00 0.00 61.69 61.21 1wii s THR 19 Cb -0.02 -2.80 0.12 0.00 0.01 0.00 0.00 72.50 69.81 1wii s THR 19 CO -0.06 0.27 1.00 -0.76 -0.69 0.00 0.00 174.62 174.38 1wii s LEU 20 N -1.83 5.07 0.53 4.42 1.43 -1.26 -5.03 118.68 122.01 1wii s LEU 20 Ca 0.21 -1.75 -0.19 0.00 -1.03 0.00 0.00 54.13 51.38 1wii s LEU 20 Cb -0.11 -2.38 -0.07 0.00 0.03 0.00 0.00 46.19 43.67 1wii s LEU 20 CO 0.13 -1.13 1.08 -1.83 0.23 0.00 0.00 176.35 174.83 1wii s GLU 21 N 2.83 3.53 -0.66 1.70 -1.05 -1.26 -4.96 118.70 118.83 1wii s GLU 21 Ca 0.26 1.45 -0.00 0.00 -0.15 0.00 0.00 54.97 56.52 1wii s GLU 21 Cb -0.11 -2.05 0.42 0.00 -0.44 0.00 0.00 34.13 31.95 1wii s GLU 21 CO -0.02 -0.68 1.85 0.25 0.95 0.00 0.00 175.26 177.61 1wii n THR 22 N -1.28 3.38 -3.74 1.83 -2.24 -1.26 -4.91 114.28 106.06 1wii n THR 22 Ca 0.10 -3.69 -0.13 0.00 -2.27 0.00 0.00 64.05 58.06 1wii n THR 22 Cb 0.52 -1.19 -0.08 0.00 -2.10 0.00 0.00 70.33 67.48 1wii n THR 22 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1wii s GLN 23 N -3.85 0.78 0.25 -0.78 -0.21 -1.26 -4.61 119.66 109.97 1wii s GLN 23 Ca 0.58 -0.35 -0.09 0.00 0.02 0.00 0.00 55.36 55.52 1wii s GLN 23 Cb 0.47 0.34 -0.01 0.00 1.00 0.00 0.00 33.01 34.81 1wii s GLN 23 CO -0.15 -0.24 0.39 -0.06 -2.12 0.00 0.00 175.29 173.11 1wii s PHE 24 N -2.08 0.64 -0.07 0.91 0.40 -1.25 -5.01 117.98 111.53 1wii s PHE 24 Ca -0.08 -0.96 -0.16 0.00 -0.60 0.00 0.00 56.93 55.13 1wii s PHE 24 Cb -0.02 -0.03 -0.05 0.00 0.51 0.00 0.00 43.02 43.43 1wii s PHE 24 CO -0.00 -0.93 0.43 0.99 0.70 0.00 0.00 175.22 176.42 1wii s THR 25 N -3.93 5.12 -0.35 0.64 2.01 -1.26 -3.34 115.64 114.53 1wii s THR 25 Ca 0.28 0.87 -0.24 0.00 0.31 0.00 0.00 61.69 62.91 1wii s THR 25 Cb 0.01 -3.76 0.01 0.00 0.01 0.00 0.00 72.50 68.77 1wii s THR 25 CO 0.11 0.45 0.85 0.00 -0.69 0.00 0.00 174.62 175.33 1wii n PRO 27 N 6.52 0.11 -0.01 0.00 -0.04 -1.26 0.13 135.00 140.45 1wii n PRO 27 Ca 0.05 0.36 -0.06 0.00 -0.04 0.00 0.00 63.50 63.80 1wii n PRO 27 Cb 0.48 -1.72 -0.05 0.00 -0.04 0.00 0.00 33.50 32.17 1wii n PRO 27 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1wii h PHE 28 N 0.00 -0.09 0.00 0.54 -1.00 -2.01 -3.41 116.94 110.96 1wii h PHE 28 Ca 0.00 -0.00 -0.32 0.00 2.81 0.00 0.00 57.97 60.46 1wii h PHE 28 Cb 0.31 0.03 -0.06 0.00 3.61 0.00 0.00 35.95 39.84 1wii h PHE 28 CO 0.00 0.25 -2.20 0.00 -1.61 0.00 0.00 178.31 174.75 1wii n ASN 30 N -3.06 -2.67 -3.71 0.00 4.13 0.35 -5.05 115.26 105.25 1wii n ASN 30 Ca -0.36 0.09 -0.29 0.00 1.68 0.00 0.00 54.58 55.69 1wii n ASN 30 Cb 0.92 -1.49 -0.15 0.00 -1.54 0.00 0.00 39.78 37.51 1wii n ASN 30 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1wii s HIS 31 N -0.88 1.39 -0.33 3.10 3.76 -1.26 -4.96 115.29 116.10 1wii s HIS 31 Ca 0.02 -1.46 -0.29 0.00 -0.15 0.00 0.00 55.06 53.18 1wii s HIS 31 Cb -0.01 -1.47 -0.12 0.00 1.11 0.00 0.00 32.58 32.09 1wii s HIS 31 CO 0.09 -0.83 1.39 0.39 -0.85 0.00 0.00 174.74 174.93 1wii n GLU 32 N 4.94 0.00 -2.56 1.40 1.02 -1.26 -2.58 120.64 121.60 1wii n GLU 32 Ca -0.04 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.09 1wii n GLU 32 Cb 0.43 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 1wii n GLU 32 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1wii n LYS 33 N 4.85 -2.80 -2.44 3.49 4.76 -1.26 -5.02 118.16 119.73 1wii n LYS 33 Ca 0.36 2.35 -0.03 0.00 -2.87 0.00 0.00 58.31 58.12 1wii n LYS 33 Cb -0.03 -4.82 0.09 0.00 -1.84 0.00 0.00 35.03 28.44 1wii n LYS 33 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1wii n SER 34 N 0.40 -1.23 -3.82 4.39 7.64 -1.07 -5.03 113.62 114.91 1wii n SER 34 Ca 0.02 -1.98 -0.12 0.00 1.01 0.00 0.00 58.87 57.80 1wii n SER 34 Cb 0.08 0.63 -0.12 0.00 -1.01 0.00 0.00 64.21 63.80 1wii n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wii s ASP 36 N -0.19 1.95 -0.21 0.00 2.15 -0.31 -3.85 116.67 116.21 1wii s ASP 36 Ca -0.03 -0.33 -0.07 0.00 0.43 0.00 0.00 52.55 52.55 1wii s ASP 36 Cb -0.02 -0.83 -0.03 0.00 -0.30 0.00 0.00 42.92 41.73 1wii s ASP 36 CO 0.01 0.07 0.05 -0.69 -0.17 0.00 0.00 175.17 174.44 1wii s VAL 37 N 0.51 4.45 -0.50 1.11 1.01 -1.26 -1.09 120.40 124.64 1wii s VAL 37 Ca -0.13 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 1wii s VAL 37 Cb -0.15 -3.03 0.12 0.00 0.00 0.00 0.00 36.38 33.31 1wii s VAL 37 CO 0.04 0.41 0.41 -0.75 0.00 0.00 0.00 175.10 175.20 1wii s LYS 38 N 0.95 2.73 -0.85 2.72 2.36 0.10 -4.97 119.74 122.80 1wii s LYS 38 Ca 0.03 -1.69 -0.23 0.00 -2.55 0.00 0.00 55.97 51.53 1wii s LYS 38 Cb -0.14 -4.09 0.06 0.00 -1.05 0.00 0.00 37.83 32.62 1wii s LYS 38 CO 0.03 -1.22 1.24 -1.64 1.55 0.00 0.00 175.35 175.30 1wii s MET 39 N 1.48 3.38 -0.49 4.03 -1.94 -1.26 -1.37 119.30 123.13 1wii s MET 39 Ca 0.04 -0.94 -0.20 0.00 -1.71 0.00 0.00 55.69 52.88 1wii s MET 39 Cb -0.27 -4.70 0.05 0.00 2.01 0.00 0.00 34.83 31.91 1wii s MET 39 CO 0.02 -2.02 0.67 0.34 -0.01 0.00 0.00 175.02 174.01 1wii s ASP 40 N 4.10 6.26 -0.08 3.03 2.15 -1.23 -4.93 116.67 125.98 1wii s ASP 40 Ca 0.35 -0.68 -0.19 0.00 0.43 0.00 0.00 52.55 52.46 1wii s ASP 40 Cb -0.07 -2.32 -0.15 0.00 -0.30 0.00 0.00 42.92 40.09 1wii s ASP 40 CO 0.01 -0.90 0.68 0.03 -0.17 0.00 0.00 175.17 174.82 1wii h ARG 41 N 9.00 -0.13 -0.92 4.34 2.47 -1.93 0.75 114.38 127.97 1wii h ARG 41 Ca -0.27 0.01 0.33 0.00 -1.26 0.00 0.00 59.98 58.80 1wii h ARG 41 Cb 1.09 0.03 -0.17 0.00 -1.65 0.00 0.00 29.97 29.27 1wii h ARG 41 CO 0.96 0.34 0.31 0.00 0.56 0.00 0.00 179.97 182.14 1wii n ALA 42 N -2.62 0.76 0.32 0.04 0.00 -1.26 0.10 120.51 117.85 1wii n ALA 42 Ca -0.07 0.95 0.09 0.00 0.00 0.00 0.00 53.44 54.42 1wii n ALA 42 Cb 0.26 -0.85 -0.14 0.00 0.00 0.00 0.00 19.45 18.72 1wii n ALA 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wii n ARG 43 N -5.18 0.65 -3.46 0.00 5.12 -1.24 -5.00 116.66 107.55 1wii n ARG 43 Ca 0.30 -0.11 -0.19 0.00 -1.93 0.00 0.00 57.85 55.91 1wii n ARG 43 Cb 1.00 -1.44 0.08 0.00 -1.16 0.00 0.00 32.46 30.94 1wii n ARG 43 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1wii n ASN 44 N -1.91 -3.94 -3.68 0.55 3.02 0.29 -4.92 115.26 104.67 1wii n ASN 44 Ca -0.01 -0.56 -0.25 0.00 -0.03 0.00 0.00 54.58 53.72 1wii n ASN 44 Cb 0.43 -4.92 -0.17 0.00 -0.61 0.00 0.00 39.78 34.50 1wii n ASN 44 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wii s THR 45 N -3.33 0.17 -0.17 3.41 2.01 -0.28 -0.26 115.64 117.19 1wii s THR 45 Ca 0.26 -0.17 -0.29 0.00 0.31 0.00 0.00 61.69 61.79 1wii s THR 45 Cb -0.11 -0.66 -0.00 0.00 0.01 0.00 0.00 72.50 71.74 1wii s THR 45 CO 0.70 -0.12 1.05 -0.83 -0.69 0.00 0.00 174.62 174.73 1wii s GLY 46 N 2.03 1.95 -0.22 4.40 0.00 0.43 -3.48 107.32 112.44 1wii s GLY 46 Ca 0.02 0.28 -0.00 0.00 0.00 0.00 0.00 44.72 45.02 1wii s GLY 46 CO -0.07 2.11 -0.12 0.14 0.00 0.00 0.00 173.10 175.15 1wii s VAL 47 N 2.74 2.53 0.22 1.40 1.01 -0.47 -1.03 120.40 126.80 1wii s VAL 47 Ca 0.47 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1wii s VAL 47 Cb -0.17 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1wii s VAL 47 CO 0.11 0.36 0.24 -0.51 0.00 0.00 0.00 175.10 175.30 1wii s ILE 48 N 1.31 4.77 0.18 2.22 2.07 -0.51 0.02 121.20 131.26 1wii s ILE 48 Ca 0.02 -1.16 -0.12 0.00 -1.41 0.00 0.00 60.65 57.97 1wii s ILE 48 Cb -0.15 -3.55 0.01 0.00 0.13 0.00 0.00 42.46 38.90 1wii s ILE 48 CO -0.08 -0.28 0.38 -0.94 -1.91 0.00 0.00 174.94 172.10 1wii s SER 49 N -3.70 -0.07 0.32 4.50 1.04 -0.25 -0.67 113.70 114.87 1wii s SER 49 Ca 0.33 -0.72 0.08 0.00 0.48 0.00 0.00 55.95 56.12 1wii s SER 49 Cb -0.09 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 1wii s SER 49 CO 0.26 -0.95 0.15 0.00 0.98 0.00 0.00 173.24 173.68 1wii n THR 51 N -1.16 1.89 0.00 0.00 -2.24 -0.57 -4.36 114.28 107.85 1wii n THR 51 Ca -0.04 -3.16 0.00 0.00 -2.27 0.00 0.00 64.05 58.58 1wii n THR 51 Cb 0.60 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1wii n THR 51 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1wii n VAL 52 N -0.72 0.00 0.91 2.28 0.31 -1.26 -4.90 118.33 114.95 1wii n VAL 52 Ca 0.23 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.67 1wii n VAL 52 Cb 0.85 -0.35 -0.03 0.00 -0.91 0.00 0.00 33.84 33.39 1wii n VAL 52 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wii n LEU 54 N -1.58 -4.11 -4.61 0.00 4.77 -1.26 -5.06 117.00 105.15 1wii n LEU 54 Ca 0.04 -0.42 -0.25 0.00 -0.03 0.00 0.00 56.01 55.35 1wii n LEU 54 Cb 0.35 -2.14 -0.09 0.00 -2.33 0.00 0.00 43.42 39.21 1wii n LEU 54 CO 0.41 0.08 -0.33 -1.61 -1.33 0.00 0.00 177.39 174.61 1wii s GLU 55 N -3.95 2.03 0.11 3.23 0.41 -1.26 -4.94 118.70 114.33 1wii s GLU 55 Ca 0.25 -1.75 -0.18 0.00 -0.41 0.00 0.00 54.97 52.88 1wii s GLU 55 Cb -0.03 -1.91 0.04 0.00 -1.78 0.00 0.00 34.13 30.45 1wii s GLU 55 CO 0.45 0.17 0.44 -2.00 -0.49 0.00 0.00 175.26 173.83 1wii s GLU 56 N -3.68 1.07 0.04 1.61 2.12 -1.26 -0.64 118.70 117.96 1wii s GLU 56 Ca 0.34 -0.57 -0.18 0.00 0.36 0.00 0.00 54.97 54.92 1wii s GLU 56 Cb -0.01 0.48 0.03 0.00 0.26 0.00 0.00 34.13 34.89 1wii s GLU 56 CO 0.19 -0.41 0.40 0.12 -0.54 0.00 0.00 175.26 175.01 1wii s PHE 57 N -3.43 -0.25 0.09 5.30 5.36 0.15 -4.97 117.98 120.24 1wii s PHE 57 Ca 0.00 0.21 0.09 0.00 -0.96 0.00 0.00 56.93 56.27 1wii s PHE 57 Cb 0.01 0.20 -0.03 0.00 -0.34 0.00 0.00 43.02 42.86 1wii s PHE 57 CO -0.09 -0.56 -0.23 -0.65 -1.46 0.00 0.00 175.22 172.23 1wii s GLN 58 N -2.41 1.31 -0.26 10.12 -0.21 -1.26 -1.42 119.66 125.53 1wii s GLN 58 Ca -0.06 -1.17 -0.26 0.00 0.02 0.00 0.00 55.36 53.90 1wii s GLN 58 Cb -0.01 -1.61 0.09 0.00 1.00 0.00 0.00 33.01 32.48 1wii s GLN 58 CO -0.02 0.39 0.81 -0.08 -2.12 0.00 0.00 175.29 174.27 1wii s THR 59 N -1.03 0.00 0.13 -0.19 -1.32 -0.20 -4.99 115.64 108.04 1wii s THR 59 Ca 0.09 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.26 1wii s THR 59 Cb -0.10 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.81 1wii s THR 59 CO 0.04 0.00 1.35 -2.16 -2.21 0.00 0.00 174.62 171.64 1wii s PRO 60 N 0.19 4.35 0.40 7.08 0.04 -1.26 0.16 135.00 145.96 1wii s PRO 60 Ca 0.00 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.13 1wii s PRO 60 Cb -0.05 -3.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 1wii s PRO 60 CO -0.00 -0.38 0.20 0.96 0.04 0.00 0.00 177.00 177.82 1wii s ILE 61 N 0.87 0.31 0.18 0.56 -5.25 0.64 -4.74 121.20 113.78 1wii s ILE 61 Ca 0.62 -2.00 -0.04 0.00 -0.99 0.00 0.00 60.65 58.24 1wii s ILE 61 Cb -0.36 -2.35 -0.03 0.00 2.95 0.00 0.00 42.46 42.67 1wii s ILE 61 CO 0.32 0.00 0.18 0.42 -1.79 0.00 0.00 174.94 174.07 1wii s THR 62 N -3.25 0.05 0.47 8.37 -4.23 -1.26 -4.44 115.64 111.35 1wii s THR 62 Ca 0.28 -1.78 0.27 0.00 -1.18 0.00 0.00 61.69 59.28 1wii s THR 62 Cb 0.01 -2.19 0.46 0.00 1.34 0.00 0.00 72.50 72.12 1wii s THR 62 CO 0.20 -0.21 1.82 0.10 -0.54 0.00 0.00 174.62 175.99 1wii h TYR 63 N 2.64 0.31 0.11 3.99 -0.00 -1.97 0.33 116.97 122.37 1wii h TYR 63 Ca -0.34 0.01 -0.26 0.00 -0.00 0.00 0.00 58.73 58.14 1wii h TYR 63 Cb 1.23 -0.09 0.00 0.00 -0.00 0.00 0.00 36.73 37.87 1wii h TYR 63 CO 0.39 0.04 -1.18 -0.07 -0.00 0.00 0.00 178.16 177.34 1wii h LEU 64 N 0.19 0.44 -9.17 0.10 3.38 -2.05 -3.46 115.31 104.73 1wii h LEU 64 Ca 0.53 -0.44 -0.56 0.00 0.09 0.00 0.00 57.88 57.50 1wii h LEU 64 Cb 1.72 -0.14 0.22 0.00 0.09 0.00 0.00 40.66 42.56 1wii h LEU 64 CO -0.13 1.32 -1.44 -1.20 0.09 0.00 0.00 178.44 177.08 1wii n SER 65 N -3.57 -4.70 -4.39 -0.43 7.64 0.12 -5.00 113.62 103.28 1wii n SER 65 Ca -0.08 0.31 -0.20 0.00 1.01 0.00 0.00 58.87 59.91 1wii n SER 65 Cb 0.99 -0.88 -0.10 0.00 -1.01 0.00 0.00 64.21 63.21 1wii n SER 65 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1wii s GLU 66 N -2.14 1.46 0.00 1.43 2.02 -1.26 -4.87 118.70 115.34 1wii s GLU 66 Ca 0.47 -1.68 0.14 0.00 0.02 0.00 0.00 54.97 53.93 1wii s GLU 66 Cb -0.25 -1.29 0.65 0.00 0.10 0.00 0.00 34.13 33.34 1wii s GLU 66 CO 0.76 0.19 1.44 -0.35 0.02 0.00 0.00 175.26 177.32 1wii n PRO 67 N -0.49 0.06 -0.03 0.39 -0.04 -1.26 -2.43 135.00 131.20 1wii n PRO 67 Ca -0.07 0.22 -0.08 0.00 -0.04 0.00 0.00 63.50 63.54 1wii n PRO 67 Cb 0.61 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 1wii n PRO 67 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1wii n VAL 68 N -1.44 1.50 -0.06 0.52 3.14 -1.26 -4.22 118.33 116.51 1wii n VAL 68 Ca 0.04 -0.80 -0.12 0.00 -2.96 0.00 0.00 64.34 60.51 1wii n VAL 68 Cb 0.15 -0.87 -0.06 0.00 -1.06 0.00 0.00 33.84 32.01 1wii n VAL 68 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1wii h ASP 69 N 0.00 0.35 -1.01 6.55 1.82 -1.89 -3.03 116.42 119.21 1wii h ASP 69 Ca -0.33 -0.37 0.22 0.00 -0.39 0.00 0.00 57.03 56.16 1wii h ASP 69 Cb 2.02 -0.10 -0.11 0.00 0.68 0.00 0.00 39.33 41.82 1wii h ASP 69 CO 0.06 0.64 0.61 0.58 -1.61 0.00 0.00 179.24 179.52 1wii h VAL 70 N 0.06 0.62 0.82 2.25 2.07 -1.74 -1.42 116.25 118.91 1wii h VAL 70 Ca 0.05 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1wii h VAL 70 Cb 0.48 -0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1wii h VAL 70 CO 0.02 0.12 -0.39 0.22 0.02 0.00 0.00 177.57 177.55 1wii h TYR 71 N 0.65 -1.02 -0.74 1.57 3.20 -1.70 -1.34 116.97 117.59 1wii h TYR 71 Ca 0.61 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.61 1wii h TYR 71 Cb 1.09 0.34 -0.11 0.00 1.54 0.00 0.00 36.73 39.59 1wii h TYR 71 CO -0.00 -0.62 0.21 1.03 -1.64 0.00 0.00 178.16 177.13 1wii h SER 72 N -1.18 0.08 -0.51 -2.11 0.87 -1.30 -0.06 113.55 109.34 1wii h SER 72 Ca -0.11 0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1wii h SER 72 Cb 0.85 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 1wii h SER 72 CO 0.18 -0.01 0.33 0.44 -0.53 0.00 0.00 176.83 177.25 1wii h ASP 73 N 0.31 0.57 -0.41 6.23 3.32 -1.18 -1.61 116.42 123.65 1wii h ASP 73 Ca 0.42 -0.01 0.12 0.00 0.02 0.00 0.00 57.03 57.58 1wii h ASP 73 Cb 0.71 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1wii h ASP 73 CO -0.49 0.41 0.34 -0.25 -1.72 0.00 0.00 179.24 177.53 1wii h TRP 74 N 0.68 0.00 0.28 4.55 7.01 0.17 -2.46 115.95 126.18 1wii h TRP 74 Ca 0.19 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 1wii h TRP 74 Cb -0.07 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.00 1wii h TRP 74 CO -0.04 0.00 -0.13 0.82 -2.79 0.00 0.00 178.44 176.29 1wii h ILE 75 N 0.00 0.00 -0.40 2.65 1.08 -0.86 0.21 117.51 120.19 1wii h ILE 75 Ca 0.20 -0.23 0.12 0.00 -0.39 0.00 0.00 64.86 64.55 1wii h ILE 75 Cb 0.87 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.60 1wii h ILE 75 CO -0.00 0.00 0.69 -0.78 -0.69 0.00 0.00 178.15 177.37 1wii h ASP 76 N -0.61 0.00 0.58 1.72 3.58 -1.37 1.14 116.42 121.46 1wii h ASP 76 Ca -0.04 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.16 1wii h ASP 76 Cb 0.29 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.30 1wii h ASP 76 CO 0.06 0.00 -1.59 0.00 -2.88 0.00 0.00 179.24 174.83 1wii h ALA 77 N 0.99 0.73 0.05 -0.78 0.00 -1.38 -3.31 119.26 115.57 1wii h ALA 77 Ca 0.19 -1.25 -0.23 0.00 0.00 0.00 0.00 54.91 53.62 1wii h ALA 77 Cb 1.58 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1wii h ALA 77 CO -0.00 1.35 -1.09 0.00 0.00 0.00 0.00 179.25 179.51 1wii h GLU 79 N 0.04 0.00 -6.80 0.00 4.11 -0.91 -3.44 114.58 107.57 1wii h GLU 79 Ca -0.06 0.00 -0.44 0.00 0.07 0.00 0.00 59.36 58.93 1wii h GLU 79 Cb 1.83 0.00 0.04 0.00 0.50 0.00 0.00 28.75 31.13 1wii h GLU 79 CO 0.16 0.30 -0.05 0.45 0.07 0.00 0.00 179.01 179.94 1wii s SER 80 N -6.36 5.35 1.08 3.06 0.15 -1.22 -5.09 113.70 110.67 1wii s SER 80 Ca -0.00 -0.00 -0.14 0.00 0.70 0.00 0.00 55.95 56.50 1wii s SER 80 Cb 0.11 -0.93 0.23 0.00 -1.71 0.00 0.00 66.02 63.72 1wii s SER 80 CO 0.66 -1.08 1.09 -0.83 1.20 0.00 0.00 173.24 174.28 1wii s GLY 81 N -4.40 1.56 0.75 9.45 0.00 -1.26 -4.95 107.32 108.47 1wii s GLY 81 Ca 0.56 -0.53 -0.11 0.00 0.00 0.00 0.00 44.72 44.64 1wii s GLY 81 CO 0.38 0.18 1.10 2.56 0.00 0.00 0.00 173.10 177.32 1wii s PRO 82 N -5.05 2.35 -0.62 2.90 0.04 -1.26 -3.96 135.00 129.41 1wii s PRO 82 Ca 0.67 1.21 -0.02 0.00 0.04 0.00 0.00 61.00 62.90 1wii s PRO 82 Cb -0.17 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1wii s PRO 82 CO 0.58 -1.58 0.31 0.43 0.04 0.00 0.00 177.00 176.78 1wii n SER 83 N -3.32 -3.52 -4.79 6.66 7.64 -1.26 -5.01 113.62 110.02 1wii n SER 83 Ca 0.09 -0.14 -0.32 0.00 1.01 0.00 0.00 58.87 59.50 1wii n SER 83 Cb 0.53 -2.34 0.04 0.00 -1.01 0.00 0.00 64.21 61.43 1wii n SER 83 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wii s SER 84 N -2.95 5.31 0.00 6.43 0.15 -1.25 -5.26 113.70 116.12 1wii s SER 84 Ca 0.16 1.87 0.31 0.00 0.70 0.00 0.00 55.95 58.98 1wii s SER 84 Cb -0.07 -2.53 1.83 0.00 -1.71 0.00 0.00 66.02 63.53 1wii s SER 84 CO 0.19 -1.49 2.16 0.61 1.20 0.00 0.00 173.24 175.90