#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wkc s THR 1 N 0.00 1.84 -0.13 2.61 2.01 -1.26 -5.12 115.64 115.59 2wkc s THR 1 Ca 0.00 -0.86 -0.01 0.00 0.31 0.00 0.00 61.69 61.13 2wkc s THR 1 Cb 0.00 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 2wkc s THR 1 CO 0.00 0.51 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.70 2wkc s ILE 2 N 0.74 3.26 -0.14 1.82 -1.09 -1.26 -4.31 121.20 120.22 2wkc s ILE 2 Ca -0.10 -0.59 0.02 0.00 -2.23 0.00 0.00 60.65 57.74 2wkc s ILE 2 Cb -0.16 -2.38 0.00 0.00 -1.58 0.00 0.00 42.46 38.34 2wkc s ILE 2 CO 0.01 0.52 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.42 2wkc s ILE 3 N 0.25 2.32 -0.24 2.92 1.01 -0.66 -4.95 121.20 121.85 2wkc s ILE 3 Ca -0.08 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.70 2wkc s ILE 3 Cb -0.15 -1.94 0.05 0.00 0.01 0.00 0.00 42.46 40.42 2wkc s ILE 3 CO 0.05 0.54 -0.13 -0.89 0.00 0.00 0.00 174.94 174.50 2wkc s THR 4 N 0.69 2.19 -0.02 2.92 2.01 -1.26 -1.48 115.64 120.69 2wkc s THR 4 Ca -0.09 -1.38 0.07 0.00 0.31 0.00 0.00 61.69 60.59 2wkc s THR 4 Cb -0.16 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.16 2wkc s THR 4 CO 0.01 0.16 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.20 2wkc s VAL 5 N 1.17 2.44 -0.12 3.82 1.01 0.73 -4.97 120.40 124.48 2wkc s VAL 5 Ca -0.04 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2wkc s VAL 5 Cb -0.18 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 2wkc s VAL 5 CO -0.07 0.54 -0.14 -0.89 0.00 0.00 0.00 175.10 174.54 2wkc s THR 6 N -0.70 3.00 0.07 3.92 2.01 -1.26 -0.57 115.64 122.11 2wkc s THR 6 Ca 0.11 -0.68 -0.20 0.00 0.31 0.00 0.00 61.69 61.23 2wkc s THR 6 Cb -0.10 -2.25 0.04 0.00 0.01 0.00 0.00 72.50 70.20 2wkc s THR 6 CO 0.00 0.53 0.46 0.00 -0.69 0.00 0.00 174.62 174.92 2wkc s ALA 7 N 0.29 -1.14 -0.17 7.40 0.00 -0.72 -5.00 121.76 122.42 2wkc s ALA 7 Ca -0.10 0.35 -0.16 0.00 0.00 0.00 0.00 51.96 52.05 2wkc s ALA 7 Cb -0.16 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 2wkc s ALA 7 CO 0.06 -0.53 0.41 -1.14 0.00 0.00 0.00 175.76 174.55 2wkc s GLN 8 N -2.82 4.24 -0.03 0.00 0.74 -1.26 -0.84 119.66 119.69 2wkc s GLN 8 Ca -0.03 0.27 -0.30 0.00 0.05 0.00 0.00 55.36 55.35 2wkc s GLN 8 Cb -0.00 -3.49 -0.05 0.00 1.10 0.00 0.00 33.01 30.57 2wkc s GLN 8 CO -0.05 0.06 1.46 0.00 -0.55 0.00 0.00 175.29 176.21 2wkc s ALA 9 N 0.99 3.61 0.13 1.58 0.00 0.72 -4.93 121.76 123.87 2wkc s ALA 9 Ca 0.21 0.86 0.01 0.00 0.00 0.00 0.00 51.96 53.03 2wkc s ALA 9 Cb -0.15 -3.64 -0.00 0.00 0.00 0.00 0.00 23.12 19.33 2wkc s ALA 9 CO 0.08 -1.09 0.15 0.27 0.00 0.00 0.00 175.76 175.17 2wkc n ASN 10 N 6.02 -0.41 0.25 0.00 0.23 -1.26 0.88 115.26 120.96 2wkc n ASN 10 Ca 0.14 -1.80 0.12 0.00 -0.53 0.00 0.00 54.58 52.52 2wkc n ASN 10 Cb 0.43 0.83 0.64 0.00 -2.08 0.00 0.00 39.78 39.60 2wkc n ASN 10 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2wkc h GLU 11 N 0.00 0.00 0.15 -3.83 3.07 -1.94 -2.42 114.58 109.61 2wkc h GLU 11 Ca -0.10 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.49 2wkc h GLU 11 Cb 0.47 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.39 2wkc h GLU 11 CO 0.14 0.16 -1.32 0.87 -1.40 0.00 0.00 179.01 177.46 2wkc h LYS 12 N 0.00 0.31 -0.14 2.33 1.57 -1.97 -3.38 116.57 115.29 2wkc h LYS 12 Ca -0.00 -0.53 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2wkc h LYS 12 Cb 0.47 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2wkc h LYS 12 CO 0.02 1.26 0.00 0.27 -0.57 0.00 0.00 179.45 180.43 2wkc n ASN 13 N -3.91 2.63 -4.51 0.86 0.23 -1.16 -4.93 115.26 104.47 2wkc n ASN 13 Ca -0.21 -1.86 -0.29 0.00 -0.53 0.00 0.00 54.58 51.69 2wkc n ASN 13 Cb 0.93 -0.08 -0.11 0.00 -2.08 0.00 0.00 39.78 38.44 2wkc n ASN 13 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2wkc s THR 14 N -1.84 2.91 0.06 5.53 2.01 -0.92 -0.41 115.64 122.97 2wkc s THR 14 Ca 0.33 -1.57 -0.14 0.00 0.31 0.00 0.00 61.69 60.63 2wkc s THR 14 Cb 0.21 -2.36 0.02 0.00 0.01 0.00 0.00 72.50 70.37 2wkc s THR 14 CO 0.31 0.04 0.32 -0.60 -0.69 0.00 0.00 174.62 173.99 2wkc s ARG 15 N -2.33 0.85 -0.10 4.92 3.52 -0.36 -4.90 118.95 120.54 2wkc s ARG 15 Ca 0.20 -0.55 0.03 0.00 -0.13 0.00 0.00 55.73 55.28 2wkc s ARG 15 Cb -0.10 0.37 -0.01 0.00 -1.56 0.00 0.00 34.95 33.65 2wkc s ARG 15 CO 0.11 -0.28 -0.20 0.99 -0.81 0.00 0.00 175.30 175.11 2wkc s THR 16 N -2.79 2.42 0.06 4.11 2.01 -1.26 -0.29 115.64 119.90 2wkc s THR 16 Ca -0.03 -0.90 0.07 0.00 0.31 0.00 0.00 61.69 61.13 2wkc s THR 16 Cb -0.00 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 2wkc s THR 16 CO -0.05 0.55 -0.19 0.54 -0.69 0.00 0.00 174.62 174.78 2wkc s VAL 17 N 0.18 1.55 -0.26 3.82 0.11 -0.39 -4.99 120.40 120.42 2wkc s VAL 17 Ca -0.12 -1.23 -0.22 0.00 -2.93 0.00 0.00 61.98 57.48 2wkc s VAL 17 Cb -0.16 -1.37 -0.01 0.00 -1.53 0.00 0.00 36.38 33.31 2wkc s VAL 17 CO 0.06 0.09 0.71 -0.44 -3.33 0.00 0.00 175.10 172.20 2wkc s SER 18 N -1.34 6.66 0.43 3.54 0.01 -1.26 -1.45 113.70 120.29 2wkc s SER 18 Ca 0.06 0.78 0.05 0.00 1.31 0.00 0.00 55.95 58.15 2wkc s SER 18 Cb -0.09 -2.38 0.05 0.00 0.21 0.00 0.00 66.02 63.81 2wkc s SER 18 CO 0.02 -0.46 0.42 0.35 0.41 0.00 0.00 173.24 173.98 2wkc n THR 19 N 5.28 0.00 -0.28 1.44 -2.24 -0.79 -5.01 114.28 112.68 2wkc n THR 19 Ca 0.02 -1.61 0.17 0.00 -2.27 0.00 0.00 64.05 60.36 2wkc n THR 19 Cb 0.48 -0.30 0.45 0.00 -2.10 0.00 0.00 70.33 68.86 2wkc n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wkc h ALA 20 N 0.53 2.04 -2.78 6.98 0.00 -2.04 -3.34 119.26 120.66 2wkc h ALA 20 Ca -0.25 0.04 -0.56 0.00 0.00 0.00 0.00 54.91 54.14 2wkc h ALA 20 Cb 0.97 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.32 2wkc h ALA 20 CO 0.38 -0.35 -0.80 0.15 0.00 0.00 0.00 179.25 178.63 2wkc s LYS 21 N -5.57 0.44 0.25 0.00 1.02 -1.26 -5.13 119.74 109.49 2wkc s LYS 21 Ca -0.09 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 54.95 2wkc s LYS 21 Cb 0.23 -1.38 0.00 0.00 -0.52 0.00 0.00 37.83 36.16 2wkc s LYS 21 CO 0.79 -1.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.54 2wkc n GLY 22 N 4.69 -1.77 3.57 -3.33 0.00 -1.25 -4.93 105.19 102.17 2wkc n GLY 22 Ca 0.01 -1.91 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 2wkc n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wkc s ASP 23 N -4.00 5.05 -0.02 1.61 1.01 -1.26 -1.89 116.67 117.17 2wkc s ASP 23 Ca 0.00 -0.02 0.08 0.00 0.71 0.00 0.00 52.55 53.31 2wkc s ASP 23 Cb 0.00 -1.73 -0.02 0.00 1.01 0.00 0.00 42.92 42.18 2wkc s ASP 23 CO 0.00 0.22 -0.25 -0.54 0.21 0.00 0.00 175.17 174.81 2wkc s LYS 24 N 0.04 2.04 0.12 8.23 1.02 -0.53 -4.98 119.74 125.69 2wkc s LYS 24 Ca 0.02 -0.90 -0.21 0.00 0.02 0.00 0.00 55.97 54.90 2wkc s LYS 24 Cb -0.13 -1.98 -0.07 0.00 -0.52 0.00 0.00 37.83 35.13 2wkc s LYS 24 CO 0.02 0.54 0.65 0.15 -0.92 0.00 0.00 175.35 175.79 2wkc s LYS 25 N -0.60 4.30 -0.06 1.68 1.02 -1.26 -1.26 119.74 123.56 2wkc s LYS 25 Ca 0.10 0.86 0.05 0.00 0.02 0.00 0.00 55.97 56.99 2wkc s LYS 25 Cb -0.10 -3.17 -0.00 0.00 -0.52 0.00 0.00 37.83 34.04 2wkc s LYS 25 CO -0.01 0.58 -0.20 0.42 -0.92 0.00 0.00 175.35 175.22 2wkc s ILE 26 N -1.20 1.66 0.02 2.17 1.01 0.60 -0.63 121.20 124.84 2wkc s ILE 26 Ca 0.33 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 60.18 2wkc s ILE 26 Cb -0.20 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2wkc s ILE 26 CO 0.21 0.47 -0.00 -0.51 0.00 0.00 0.00 174.94 175.11 2wkc s ILE 27 N 0.09 4.09 -0.34 2.92 2.07 -0.59 -1.23 121.20 128.22 2wkc s ILE 27 Ca -0.07 -0.72 -0.06 0.00 -1.41 0.00 0.00 60.65 58.39 2wkc s ILE 27 Cb -0.14 -2.86 0.04 0.00 0.13 0.00 0.00 42.46 39.64 2wkc s ILE 27 CO 0.04 0.31 0.10 -0.55 -1.91 0.00 0.00 174.94 172.93 2wkc s SER 28 N -1.76 5.28 0.07 4.50 0.15 0.45 -2.11 113.70 120.28 2wkc s SER 28 Ca 0.21 -1.20 0.08 0.00 0.70 0.00 0.00 55.95 55.74 2wkc s SER 28 Cb -0.12 -1.85 -0.04 0.00 -1.71 0.00 0.00 66.02 62.31 2wkc s SER 28 CO 0.12 -0.34 -0.18 0.68 1.20 0.00 0.00 173.24 174.73 2wkc s VAL 29 N 1.38 2.81 0.27 4.45 -7.23 0.02 -4.86 120.40 117.23 2wkc s VAL 29 Ca -0.02 -1.32 -0.29 0.00 -1.81 0.00 0.00 61.98 58.54 2wkc s VAL 29 Cb -0.20 -2.22 -0.09 0.00 0.56 0.00 0.00 36.38 34.42 2wkc s VAL 29 CO 0.02 0.24 1.14 -2.16 -0.31 0.00 0.00 175.10 174.03 2wkc s PRO 30 N -1.73 4.59 0.00 4.82 0.04 -1.26 -0.03 135.00 141.43 2wkc s PRO 30 Ca 0.16 1.86 0.24 0.00 0.04 0.00 0.00 61.00 63.30 2wkc s PRO 30 Cb -0.11 -3.18 0.39 0.00 0.04 0.00 0.00 34.50 31.64 2wkc s PRO 30 CO 0.07 0.12 1.33 1.28 0.04 0.00 0.00 177.00 179.85 2wkc n LEU 31 N 1.35 0.58 -3.83 -3.56 4.77 -0.05 -4.87 117.00 111.38 2wkc n LEU 31 Ca -0.00 -0.06 -0.07 0.00 -0.03 0.00 0.00 56.01 55.84 2wkc n LEU 31 Cb 0.44 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.35 2wkc n LEU 31 CO 0.55 0.14 0.62 0.72 -1.33 0.00 0.00 177.39 178.08 2wkc s PHE 32 N -3.01 0.12 0.28 -1.77 -0.12 -1.26 -5.04 117.98 107.18 2wkc s PHE 32 Ca 0.10 -0.72 0.08 0.00 -0.05 0.00 0.00 56.93 56.34 2wkc s PHE 32 Cb 0.17 0.80 -0.04 0.00 -0.63 0.00 0.00 43.02 43.33 2wkc s PHE 32 CO 0.73 -1.39 0.15 -1.21 -0.05 0.00 0.00 175.22 173.44 2wkc s GLU 33 N -2.21 2.63 0.09 1.99 2.02 -1.26 -4.93 118.70 117.04 2wkc s GLU 33 Ca 0.18 -1.27 -0.02 0.00 0.02 0.00 0.00 54.97 53.87 2wkc s GLU 33 Cb -0.04 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.78 2wkc s GLU 33 CO 0.10 0.30 0.05 -1.59 0.02 0.00 0.00 175.26 174.14 2wkc s LYS 34 N -3.82 0.80 -0.04 1.61 -2.85 -1.26 -5.08 119.74 109.11 2wkc s LYS 34 Ca 0.34 -1.27 -0.30 0.00 -1.00 0.00 0.00 55.97 53.74 2wkc s LYS 34 Cb -0.06 0.25 -0.05 0.00 -2.06 0.00 0.00 37.83 35.91 2wkc s LYS 34 CO 0.23 -0.21 1.48 -1.21 0.10 0.00 0.00 175.35 175.75 2wkc s GLU 35 N -3.97 4.23 0.14 1.78 2.02 -1.26 -4.96 118.70 116.68 2wkc s GLU 35 Ca 0.14 2.02 -0.34 0.00 0.02 0.00 0.00 54.97 56.81 2wkc s GLU 35 Cb 0.07 -3.74 -0.14 0.00 0.10 0.00 0.00 34.13 30.42 2wkc s GLU 35 CO -0.05 -0.70 1.56 1.63 0.02 0.00 0.00 175.26 177.72 2wkc n LYS 36 N 6.16 2.01 -1.02 1.61 5.02 -1.26 -0.82 118.16 129.86 2wkc n LYS 36 Ca 0.15 0.73 -0.01 0.00 -2.02 0.00 0.00 58.31 57.16 2wkc n LYS 36 Cb 0.43 -2.48 -0.00 0.00 -0.02 0.00 0.00 35.03 32.96 2wkc n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wkc n GLY 37 N 3.34 0.49 3.89 0.72 0.00 -1.26 -5.04 105.19 107.33 2wkc n GLY 37 Ca 0.17 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 2wkc n GLY 37 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wkc s SER 38 N -2.38 6.49 0.00 1.61 0.15 -0.00 -5.02 113.70 114.55 2wkc s SER 38 Ca 0.00 0.83 0.31 0.00 0.70 0.00 0.00 55.95 57.79 2wkc s SER 38 Cb 0.00 -2.19 1.64 0.00 -1.71 0.00 0.00 66.02 63.76 2wkc s SER 38 CO 0.00 -0.22 2.11 -3.20 1.20 0.00 0.00 173.24 173.13 2wkc n ASN 39 N -0.89 0.03 -4.86 5.45 2.85 -1.26 -4.93 115.26 111.65 2wkc n ASN 39 Ca -0.01 -0.47 -0.32 0.00 -0.11 0.00 0.00 54.58 53.68 2wkc n ASN 39 Cb 0.54 -0.17 -0.01 0.00 1.24 0.00 0.00 39.78 41.37 2wkc n ASN 39 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2wkc s VAL 40 N -2.36 4.62 -0.21 3.44 -7.23 -1.26 -5.05 120.40 112.35 2wkc s VAL 40 Ca 0.35 1.04 -0.09 0.00 -1.81 0.00 0.00 61.98 61.48 2wkc s VAL 40 Cb 0.21 -3.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.32 2wkc s VAL 40 CO 0.43 -0.89 0.10 -0.54 -0.31 0.00 0.00 175.10 173.89 2wkc s LYS 41 N -4.57 3.99 -0.21 4.82 -0.14 -1.26 -5.07 119.74 117.30 2wkc s LYS 41 Ca 0.57 -0.32 -0.09 0.00 -1.36 0.00 0.00 55.97 54.76 2wkc s LYS 41 Cb -0.10 -3.35 -0.05 0.00 -1.68 0.00 0.00 37.83 32.65 2wkc s LYS 41 CO 0.42 0.15 0.11 0.08 -0.76 0.00 0.00 175.35 175.35 2wkc s VAL 42 N 0.74 5.10 0.14 3.17 1.01 -1.26 -5.07 120.40 124.23 2wkc s VAL 42 Ca 0.05 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 2wkc s VAL 42 Cb -0.13 -3.33 -0.07 0.00 0.00 0.00 0.00 36.38 32.84 2wkc s VAL 42 CO 0.02 0.42 1.19 0.00 0.00 0.00 0.00 175.10 176.73 2wkc s ALA 43 N 0.61 3.42 -0.07 5.51 0.00 -1.26 -4.93 121.76 125.04 2wkc s ALA 43 Ca 0.06 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 52.91 2wkc s ALA 43 Cb -0.12 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 2wkc s ALA 43 CO 0.01 -0.38 -0.00 0.71 0.00 0.00 0.00 175.76 176.10 2wkc s TYR 44 N 0.32 3.14 0.12 0.00 2.02 -1.26 -0.87 117.35 120.81 2wkc s TYR 44 Ca 0.55 0.17 0.06 0.00 -0.37 0.00 0.00 57.07 57.48 2wkc s TYR 44 Cb -0.31 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.44 2wkc s TYR 44 CO 0.34 0.46 -0.03 0.20 -1.57 0.00 0.00 175.55 174.95 2wkc s GLY 45 N -0.98 1.82 -0.05 0.71 0.00 0.95 -4.41 107.32 105.37 2wkc s GLY 45 Ca 0.14 -1.23 -0.04 0.00 0.00 0.00 0.00 44.72 43.59 2wkc s GLY 45 CO 0.03 -1.22 0.15 -0.56 0.00 0.00 0.00 173.10 171.50 2wkc s SER 46 N -2.46 6.24 -0.13 1.64 0.01 -0.63 -0.80 113.70 117.57 2wkc s SER 46 Ca 0.25 0.35 -0.09 0.00 1.31 0.00 0.00 55.95 57.77 2wkc s SER 46 Cb -0.11 -1.95 0.04 0.00 0.21 0.00 0.00 66.02 64.21 2wkc s SER 46 CO 0.17 0.32 0.32 0.00 0.41 0.00 0.00 173.24 174.46 2wkc s ALA 47 N -1.19 -0.78 0.31 1.44 0.00 -0.90 -1.39 121.76 119.26 2wkc s ALA 47 Ca 0.22 1.08 -0.29 0.00 0.00 0.00 0.00 51.96 52.97 2wkc s ALA 47 Cb -0.12 -0.65 -0.10 0.00 0.00 0.00 0.00 23.12 22.24 2wkc s ALA 47 CO 0.12 -0.19 1.36 -0.06 0.00 0.00 0.00 175.76 176.99 2wkc s PHE 48 N 0.78 3.00 0.03 0.00 0.08 -1.26 -1.54 117.98 119.07 2wkc s PHE 48 Ca -0.05 1.29 -0.04 0.00 0.12 0.00 0.00 56.93 58.25 2wkc s PHE 48 Cb -0.06 -3.75 -0.04 0.00 -0.57 0.00 0.00 43.02 38.60 2wkc s PHE 48 CO -0.05 -2.17 0.25 -0.51 -0.10 0.00 0.00 175.22 172.63 2wkc s LEU 49 N -1.44 4.35 0.74 -0.37 1.43 0.20 -4.92 118.68 118.67 2wkc s LEU 49 Ca 0.52 0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 53.91 2wkc s LEU 49 Cb -0.41 -2.82 0.05 0.00 0.03 0.00 0.00 46.19 43.04 2wkc s LEU 49 CO 0.51 0.21 1.21 -2.84 0.23 0.00 0.00 176.35 175.67 2wkc s PRO 50 N -2.12 2.05 0.47 1.29 0.02 -1.26 -4.45 135.00 130.99 2wkc s PRO 50 Ca 0.31 1.76 0.23 0.00 0.02 0.00 0.00 61.00 63.31 2wkc s PRO 50 Cb -0.13 -1.82 1.14 0.00 0.02 0.00 0.00 34.50 33.71 2wkc s PRO 50 CO 0.21 -1.90 1.96 -0.44 -0.33 0.00 0.00 177.00 176.49 2wkc h ASP 51 N -0.41 0.00 0.49 2.53 3.32 -1.97 -2.91 116.42 117.47 2wkc h ASP 51 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2wkc h ASP 51 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2wkc h ASP 51 CO 0.49 0.21 0.00 2.22 -1.72 0.00 0.00 179.24 180.44 2wkc n PHE 52 N -3.72 0.00 -3.22 4.55 1.16 -1.26 -4.80 117.46 110.17 2wkc n PHE 52 Ca -0.01 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.18 2wkc n PHE 52 Cb 0.32 -0.25 -0.06 0.00 -1.61 0.00 0.00 39.48 37.89 2wkc n PHE 52 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2wkc s ILE 53 N -2.49 4.81 0.35 1.97 1.01 -1.10 -5.08 121.20 120.66 2wkc s ILE 53 Ca 0.31 1.26 0.09 0.00 0.00 0.00 0.00 60.65 62.31 2wkc s ILE 53 Cb 0.20 -3.93 -0.07 0.00 0.01 0.00 0.00 42.46 38.68 2wkc s ILE 53 CO 0.45 0.48 -0.08 -1.10 0.00 0.00 0.00 174.94 174.68 2wkc s GLN 54 N -0.61 1.82 0.30 2.79 -1.52 -1.26 -4.99 119.66 116.19 2wkc s GLN 54 Ca 0.30 -1.95 -0.29 0.00 -1.95 0.00 0.00 55.36 51.47 2wkc s GLN 54 Cb -0.19 -1.66 -0.11 0.00 -0.22 0.00 0.00 33.01 30.83 2wkc s GLN 54 CO 0.18 0.11 1.50 -0.51 -0.25 0.00 0.00 175.29 176.33 2wkc s LEU 55 N -3.61 4.36 0.00 2.90 1.43 -1.26 -2.21 118.68 120.28 2wkc s LEU 55 Ca 0.33 2.87 0.00 0.00 -1.03 0.00 0.00 54.13 56.29 2wkc s LEU 55 Cb 0.03 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.61 2wkc s LEU 55 CO 0.16 -0.81 0.00 0.61 0.23 0.00 0.00 176.35 176.54 2wkc n GLY 56 N 1.72 2.96 3.80 -3.19 0.00 0.25 -4.99 105.19 105.73 2wkc n GLY 56 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2wkc n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wkc s ASP 57 N -1.19 6.69 -0.15 1.61 1.01 -0.94 -4.75 116.67 118.95 2wkc s ASP 57 Ca 0.00 1.90 -0.12 0.00 0.71 0.00 0.00 52.55 55.04 2wkc s ASP 57 Cb 0.00 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 2wkc s ASP 57 CO 0.00 -0.54 0.25 -0.89 0.21 0.00 0.00 175.17 174.20 2wkc s THR 58 N -1.89 5.33 0.12 -1.27 2.01 -1.26 -0.20 115.64 118.48 2wkc s THR 58 Ca 0.62 0.45 0.07 0.00 0.31 0.00 0.00 61.69 63.13 2wkc s THR 58 Cb -0.17 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 2wkc s THR 58 CO 0.21 0.45 -0.17 0.68 -0.69 0.00 0.00 174.62 175.10 2wkc s VAL 59 N 0.12 1.47 -0.25 3.82 -7.23 -0.02 -1.00 120.40 117.32 2wkc s VAL 59 Ca 0.15 -1.63 -0.09 0.00 -1.81 0.00 0.00 61.98 58.59 2wkc s VAL 59 Cb -0.13 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 2wkc s VAL 59 CO 0.03 -0.27 0.13 -0.89 -0.31 0.00 0.00 175.10 173.79 2wkc s THR 60 N -1.71 4.98 -0.18 5.32 2.01 0.70 -1.75 115.64 125.00 2wkc s THR 60 Ca 0.07 0.05 -0.03 0.00 0.31 0.00 0.00 61.69 62.10 2wkc s THR 60 Cb -0.07 -3.33 -0.01 0.00 0.01 0.00 0.00 72.50 69.09 2wkc s THR 60 CO 0.04 0.33 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.54 2wkc s VAL 61 N 1.34 3.35 -0.03 3.82 1.01 0.26 -0.91 120.40 129.23 2wkc s VAL 61 Ca 0.06 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 2wkc s VAL 61 Cb -0.15 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.79 2wkc s VAL 61 CO 0.06 0.47 0.05 -0.55 0.00 0.00 0.00 175.10 175.13 2wkc s SER 62 N 0.94 0.17 0.00 3.32 0.15 0.17 -0.19 113.70 118.25 2wkc s SER 62 Ca -0.01 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2wkc s SER 62 Cb -0.15 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 2wkc s SER 62 CO 0.00 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2wkc n GLY 63 N 4.32 -1.54 3.76 9.45 0.00 -0.55 -0.23 105.19 120.41 2wkc n GLY 63 Ca -0.25 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 2wkc n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wkc s ARG 64 N -1.72 3.31 -0.04 1.61 0.52 -1.26 -1.66 118.95 119.70 2wkc s ARG 64 Ca 0.00 1.80 0.05 0.00 -0.52 0.00 0.00 55.73 57.06 2wkc s ARG 64 Cb 0.00 -2.11 -0.01 0.00 0.52 0.00 0.00 34.95 33.35 2wkc s ARG 64 CO 0.00 -0.93 -0.20 0.08 0.02 0.00 0.00 175.30 174.27 2wkc s VAL 65 N -1.60 1.61 -0.08 3.52 1.01 -1.26 -1.37 120.40 122.23 2wkc s VAL 65 Ca 0.72 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.89 2wkc s VAL 65 Cb -0.29 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.74 2wkc s VAL 65 CO 0.33 0.46 -0.15 -1.58 0.00 0.00 0.00 175.10 174.16 2wkc s GLN 66 N -0.14 2.06 -0.22 2.72 0.74 0.41 -4.94 119.66 120.29 2wkc s GLN 66 Ca -0.01 -0.53 -0.14 0.00 0.05 0.00 0.00 55.36 54.73 2wkc s GLN 66 Cb -0.11 -1.66 -0.04 0.00 1.10 0.00 0.00 33.01 32.30 2wkc s GLN 66 CO 0.02 0.05 0.30 0.00 -0.55 0.00 0.00 175.29 175.11 2wkc s ALA 67 N 0.63 3.58 0.06 1.58 0.00 -1.26 -1.30 121.76 125.05 2wkc s ALA 67 Ca -0.15 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.15 2wkc s ALA 67 Cb -0.16 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 2wkc s ALA 67 CO 0.04 -0.27 -0.09 0.21 0.00 0.00 0.00 175.76 175.66 2wkc s LYS 68 N 1.23 0.63 0.03 0.00 2.20 0.29 -4.97 119.74 119.15 2wkc s LYS 68 Ca 0.14 -0.87 -0.18 0.00 -0.36 0.00 0.00 55.97 54.70 2wkc s LYS 68 Cb -0.14 -0.39 -0.06 0.00 -1.51 0.00 0.00 37.83 35.72 2wkc s LYS 68 CO 0.07 0.07 0.52 -1.21 -0.36 0.00 0.00 175.35 174.43 2wkc s GLU 69 N -1.88 4.13 -0.22 4.03 2.02 -1.26 0.01 118.70 125.53 2wkc s GLU 69 Ca -0.06 0.62 -0.02 0.00 0.02 0.00 0.00 54.97 55.53 2wkc s GLU 69 Cb -0.08 -3.26 0.07 0.00 0.10 0.00 0.00 34.13 30.96 2wkc s GLU 69 CO 0.00 0.60 0.03 -1.12 0.02 0.00 0.00 175.26 174.78 2wkc s SER 70 N -0.89 3.32 1.94 -0.19 0.01 -0.24 -4.93 113.70 112.73 2wkc s SER 70 Ca 0.27 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.48 2wkc s SER 70 Cb -0.18 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.27 2wkc s SER 70 CO 0.16 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2wkc n GLY 71 N 4.93 3.89 1.17 3.44 0.00 -1.26 -1.21 105.19 116.14 2wkc n GLY 71 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.95 2wkc n GLY 71 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wkc n GLU 72 N 13.88 2.62 -4.16 1.61 -0.58 -1.26 -4.97 120.64 127.79 2wkc n GLU 72 Ca 0.00 -3.00 -0.35 0.00 -0.42 0.00 0.00 57.16 53.40 2wkc n GLU 72 Cb 0.00 -1.89 -0.08 0.00 -0.57 0.00 0.00 31.44 28.90 2wkc n GLU 72 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 2wkc s TYR 73 N -3.01 3.31 -0.36 -0.32 5.04 -0.35 -5.10 117.35 116.56 2wkc s TYR 73 Ca 0.45 0.28 -0.11 0.00 -2.44 0.00 0.00 57.07 55.25 2wkc s TYR 73 Cb 0.38 -1.81 0.02 0.00 0.35 0.00 0.00 41.96 40.91 2wkc s TYR 73 CO 0.06 0.56 0.20 0.08 -1.34 0.00 0.00 175.55 175.12 2wkc s VAL 74 N -1.03 4.58 -0.03 3.14 1.01 -1.26 -1.08 120.40 125.73 2wkc s VAL 74 Ca 0.17 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 61.12 2wkc s VAL 74 Cb -0.12 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2wkc s VAL 74 CO 0.07 -0.19 0.71 0.20 0.00 0.00 0.00 175.10 175.89 2wkc s ASN 75 N 1.56 7.05 -0.22 3.32 0.01 0.10 -4.91 114.94 121.86 2wkc s ASN 75 Ca 0.02 1.26 -0.04 0.00 -0.71 0.00 0.00 52.86 53.40 2wkc s ASN 75 Cb -0.19 -2.42 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 2wkc s ASN 75 CO 0.07 -0.06 -0.02 -0.31 -1.51 0.00 0.00 177.10 175.26 2wkc s TYR 76 N 0.46 2.98 -0.03 2.20 2.02 -1.26 -0.55 117.35 123.17 2wkc s TYR 76 Ca 0.37 -0.80 0.03 0.00 -0.37 0.00 0.00 57.07 56.31 2wkc s TYR 76 Cb -0.19 -2.11 0.00 0.00 -0.40 0.00 0.00 41.96 39.26 2wkc s TYR 76 CO 0.20 -0.48 -0.13 -0.80 -1.57 0.00 0.00 175.55 172.77 2wkc s ASN 77 N 1.41 1.69 0.27 2.29 0.01 -0.42 -1.60 114.94 118.59 2wkc s ASN 77 Ca 0.05 -0.27 -0.29 0.00 -0.71 0.00 0.00 52.86 51.63 2wkc s ASN 77 Cb -0.14 -0.47 -0.09 0.00 0.41 0.00 0.00 41.25 40.96 2wkc s ASN 77 CO -0.01 0.11 1.18 -0.36 -1.51 0.00 0.00 177.10 176.51 2wkc s PHE 78 N 0.13 3.40 -0.38 2.20 0.08 -0.49 -0.44 117.98 122.47 2wkc s PHE 78 Ca -0.04 1.54 -0.12 0.00 0.12 0.00 0.00 56.93 58.44 2wkc s PHE 78 Cb -0.10 -3.43 0.03 0.00 -0.57 0.00 0.00 43.02 38.95 2wkc s PHE 78 CO 0.01 -1.09 0.23 0.08 -0.10 0.00 0.00 175.22 174.35 2wkc s VAL 79 N -0.83 4.69 -1.34 -0.44 1.01 -0.47 -4.65 120.40 118.37 2wkc s VAL 79 Ca 0.48 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 2wkc s VAL 79 Cb -0.34 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.43 2wkc s VAL 79 CO 0.43 -0.27 0.44 0.49 0.00 0.00 0.00 175.10 176.19 2wkc n PHE 80 N 5.03 -1.33 -1.31 5.22 3.72 -1.26 -4.40 117.46 123.12 2wkc n PHE 80 Ca -0.12 0.25 -0.30 0.00 -0.05 0.00 0.00 57.45 57.24 2wkc n PHE 80 Cb 0.46 -2.79 0.11 0.00 -0.94 0.00 0.00 39.48 36.32 2wkc n PHE 80 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2wkc s PRO 81 N -7.45 1.80 -0.12 -1.08 0.04 -1.26 -4.98 135.00 121.95 2wkc s PRO 81 Ca 0.32 0.88 -0.22 0.00 0.04 0.00 0.00 61.00 62.03 2wkc s PRO 81 Cb -0.18 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 2wkc s PRO 81 CO 0.98 -1.88 0.64 0.99 0.04 0.00 0.00 177.00 177.77 2wkc s THR 82 N -2.98 5.07 -0.09 1.26 2.01 0.69 -4.91 115.64 116.68 2wkc s THR 82 Ca 0.62 1.27 0.04 0.00 0.31 0.00 0.00 61.69 63.93 2wkc s THR 82 Cb -0.17 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 68.38 2wkc s THR 82 CO 0.56 0.22 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.79 2wkc s VAL 83 N 1.12 1.97 -0.01 3.82 1.01 -1.26 -0.66 120.40 126.39 2wkc s VAL 83 Ca 0.33 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2wkc s VAL 83 Cb -0.17 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.52 2wkc s VAL 83 CO 0.14 0.54 -0.01 -0.70 0.00 0.00 0.00 175.10 175.07 2wkc s GLU 84 N 0.34 0.09 0.13 2.72 2.12 -0.09 -4.96 118.70 119.04 2wkc s GLU 84 Ca -0.17 -0.00 -0.27 0.00 0.36 0.00 0.00 54.97 54.88 2wkc s GLU 84 Cb -0.17 -0.13 -0.07 0.00 0.26 0.00 0.00 34.13 34.01 2wkc s GLU 84 CO 0.08 -0.01 0.83 0.21 -0.54 0.00 0.00 175.26 175.83 2wkc s LYS 85 N 0.18 4.61 -0.21 4.30 2.20 -1.26 -0.22 119.74 129.34 2wkc s LYS 85 Ca -0.01 1.22 -0.11 0.00 -0.36 0.00 0.00 55.97 56.71 2wkc s LYS 85 Cb -0.03 -3.32 -0.05 0.00 -1.51 0.00 0.00 37.83 32.93 2wkc s LYS 85 CO -0.01 0.41 0.16 0.08 -0.36 0.00 0.00 175.35 175.64 2wkc s VAL 86 N -0.62 5.38 -0.10 4.02 1.01 -0.17 -4.91 120.40 125.00 2wkc s VAL 86 Ca 0.39 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.31 2wkc s VAL 86 Cb -0.23 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2wkc s VAL 86 CO 0.27 0.40 1.33 0.12 0.00 0.00 0.00 175.10 177.21 2wkc s PHE 87 N 0.64 2.78 -0.04 5.22 5.36 -1.26 -4.54 117.98 126.14 2wkc s PHE 87 Ca 0.09 0.90 -0.01 0.00 -0.96 0.00 0.00 56.93 56.94 2wkc s PHE 87 Cb -0.12 -3.57 0.03 0.00 -0.34 0.00 0.00 43.02 39.02 2wkc s PHE 87 CO 0.01 -2.05 0.07 0.42 -1.46 0.00 0.00 175.22 172.21 2wkc s ILE 88 N 3.18 -0.10 -2.43 3.12 1.01 -1.26 -5.14 121.20 119.57 2wkc s ILE 88 Ca 0.59 0.29 0.19 0.00 0.00 0.00 0.00 60.65 61.73 2wkc s ILE 88 Cb -0.25 -0.15 0.15 0.00 0.01 0.00 0.00 42.46 42.22 2wkc s ILE 88 CO 0.20 0.12 1.12 0.35 0.00 0.00 0.00 174.94 176.73