#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 0.43 -0.07 2.61 2.01 -1.26 -5.13 115.64 114.22 2wkc s THR 1 Ca 0.00 -0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.03 2wkc s THR 1 Cb 0.00 -0.50 -0.01 0.00 0.01 0.00 0.00 72.50 72.00 2wkc s THR 1 CO 0.00 0.22 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.28 2wkc s ILE 2 N 1.23 2.02 -0.17 1.82 -1.09 -1.26 -4.33 121.20 119.42 2wkc s ILE 2 Ca -0.06 -1.03 0.01 0.00 -2.23 0.00 0.00 60.65 57.34 2wkc s ILE 2 Cb -0.14 -1.73 0.02 0.00 -1.58 0.00 0.00 42.46 39.03 2wkc s ILE 2 CO -0.02 0.56 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.42 2wkc s ILE 3 N 0.06 2.03 -0.29 2.92 1.01 -0.05 -4.95 121.20 121.93 2wkc s ILE 3 Ca -0.10 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.62 2wkc s ILE 3 Cb -0.15 -1.83 0.06 0.00 0.01 0.00 0.00 42.46 40.54 2wkc s ILE 3 CO 0.06 0.54 -0.03 -0.89 0.00 0.00 0.00 174.94 174.61 2wkc s THR 4 N 1.22 2.68 -0.12 2.92 2.01 -1.26 -1.86 115.64 121.22 2wkc s THR 4 Ca 0.03 -1.53 0.01 0.00 0.31 0.00 0.00 61.69 60.51 2wkc s THR 4 Cb -0.13 -2.58 -0.01 0.00 0.01 0.00 0.00 72.50 69.79 2wkc s THR 4 CO -0.11 -0.11 -0.17 -0.69 -0.69 0.00 0.00 174.62 172.85 2wkc s VAL 5 N 1.18 2.69 -0.22 3.82 1.01 0.13 -4.97 120.40 124.04 2wkc s VAL 5 Ca -0.06 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 2wkc s VAL 5 Cb -0.20 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 2wkc s VAL 5 CO -0.03 0.53 0.03 -0.89 0.00 0.00 0.00 175.10 174.74 2wkc s THR 6 N 0.41 4.07 0.05 3.92 2.01 -1.26 -0.49 115.64 124.35 2wkc s THR 6 Ca -0.13 -0.26 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 2wkc s THR 6 Cb -0.16 -2.87 -0.00 0.00 0.01 0.00 0.00 72.50 69.48 2wkc s THR 6 CO 0.06 0.39 0.16 0.00 -0.69 0.00 0.00 174.62 174.55 2wkc s ALA 7 N 1.26 -0.23 0.01 7.40 0.00 -0.40 -5.00 121.76 124.81 2wkc s ALA 7 Ca 0.04 -0.46 -0.22 0.00 0.00 0.00 0.00 51.96 51.32 2wkc s ALA 7 Cb -0.15 0.32 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 2wkc s ALA 7 CO 0.02 -0.39 0.66 -1.14 0.00 0.00 0.00 175.76 174.91 2wkc s GLN 8 N -2.94 4.39 -0.14 0.00 0.74 -1.26 -1.08 119.66 119.37 2wkc s GLN 8 Ca -0.02 0.85 -0.29 0.00 0.05 0.00 0.00 55.36 55.95 2wkc s GLN 8 Cb 0.01 -3.36 -0.02 0.00 1.10 0.00 0.00 33.01 30.74 2wkc s GLN 8 CO -0.06 0.31 1.23 0.00 -0.55 0.00 0.00 175.29 176.22 2wkc s ALA 9 N -0.05 3.61 0.34 1.58 0.00 -0.08 -4.95 121.76 122.21 2wkc s ALA 9 Ca 0.34 0.49 0.07 0.00 0.00 0.00 0.00 51.96 52.86 2wkc s ALA 9 Cb -0.19 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.32 2wkc s ALA 9 CO 0.19 -1.04 0.30 0.54 0.00 0.00 0.00 175.76 175.75 2wkc s ASN 10 N 1.77 1.74 0.58 0.00 2.20 -1.26 -0.17 114.94 119.80 2wkc s ASN 10 Ca 0.54 -1.77 0.28 0.00 -0.94 0.00 0.00 52.86 50.97 2wkc s ASN 10 Cb -0.22 0.57 1.67 0.00 -2.00 0.00 0.00 41.25 41.27 2wkc s ASN 10 CO 0.16 -1.09 2.16 -0.33 -2.94 0.00 0.00 177.10 175.06 2wkc h GLU 11 N 2.11 0.00 0.00 3.55 5.08 -1.95 -2.45 114.58 120.91 2wkc h GLU 11 Ca -0.24 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 2wkc h GLU 11 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2wkc h GLU 11 CO 0.35 0.00 -1.18 0.87 -1.00 0.00 0.00 179.01 178.06 2wkc h LYS 12 N 0.00 0.00 -0.00 2.33 1.57 -1.98 -3.39 116.57 115.10 2wkc h LYS 12 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2wkc h LYS 12 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2wkc h LYS 12 CO -0.00 0.15 -0.05 0.27 -0.57 0.00 0.00 179.45 179.25 2wkc n ASN 13 N -2.80 0.63 -4.14 0.86 0.23 -1.13 -5.03 115.26 103.89 2wkc n ASN 13 Ca -0.05 -0.81 -0.24 0.00 -0.53 0.00 0.00 54.58 52.95 2wkc n ASN 13 Cb 0.69 0.51 -0.15 0.00 -2.08 0.00 0.00 39.78 38.75 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 -0.70 1.28 0.17 5.53 2.01 -0.94 -0.94 115.64 122.06 2wkc s THR 14 Ca 0.02 -0.69 -0.06 0.00 0.31 0.00 0.00 61.69 61.27 2wkc s THR 14 Cb 0.02 -1.07 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 2wkc s THR 14 CO 0.05 0.36 0.22 0.00 -0.69 0.00 0.00 174.62 174.57 2wkc s ARG 15 N -0.32 1.16 -0.14 4.92 1.70 -0.37 -4.77 118.95 121.14 2wkc s ARG 15 Ca 0.05 -1.34 0.02 0.00 -0.47 0.00 0.00 55.73 53.99 2wkc s ARG 15 Cb -0.07 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.65 2wkc s ARG 15 CO -0.00 -0.41 -0.19 0.99 -1.08 0.00 0.00 175.30 174.61 2wkc s THR 16 N -4.03 2.33 -0.17 4.99 2.01 -1.26 -1.22 115.64 118.29 2wkc s THR 16 Ca 0.24 -0.89 -0.02 0.00 0.31 0.00 0.00 61.69 61.33 2wkc s THR 16 Cb 0.04 -1.95 -0.01 0.00 0.01 0.00 0.00 72.50 70.60 2wkc s THR 16 CO 0.04 0.54 -0.10 0.68 -0.69 0.00 0.00 174.62 175.09 2wkc s VAL 17 N 0.75 3.10 0.01 3.82 -7.23 -0.50 -4.97 120.40 115.38 2wkc s VAL 17 Ca -0.08 -0.62 -0.30 0.00 -1.81 0.00 0.00 61.98 59.17 2wkc s VAL 17 Cb -0.16 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 2wkc s VAL 17 CO 0.00 0.49 1.20 -0.44 -0.31 0.00 0.00 175.10 176.04 2wkc s SER 18 N 0.85 7.08 0.42 4.85 0.01 -1.26 -1.82 113.70 123.84 2wkc s SER 18 Ca -0.03 1.93 0.03 0.00 1.31 0.00 0.00 55.95 59.19 2wkc s SER 18 Cb -0.15 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.50 2wkc s SER 18 CO 0.00 -0.51 0.12 0.35 0.41 0.00 0.00 173.24 173.62 2wkc n THR 19 N 4.20 0.00 0.30 1.44 -2.24 -0.63 -4.99 114.28 112.36 2wkc n THR 19 Ca 0.10 -2.37 0.17 0.00 -2.27 0.00 0.00 64.05 59.67 2wkc n THR 19 Cb 0.46 0.79 0.70 0.00 -2.10 0.00 0.00 70.33 70.19 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 1.61 1.00 -0.31 6.98 0.00 -2.04 -2.63 119.26 123.87 2wkc h ALA 20 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2wkc h ALA 20 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2wkc h ALA 20 CO 0.53 0.00 0.00 1.63 0.00 0.00 0.00 179.25 181.41 2wkc n LYS 21 N -2.91 2.37 0.00 0.00 5.02 -1.26 -5.09 118.16 116.30 2wkc n LYS 21 Ca 0.00 -2.16 0.00 0.00 -2.02 0.00 0.00 58.31 54.14 2wkc n LYS 21 Cb 0.26 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 2wkc n LYS 21 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wkc n GLY 22 N 1.38 -0.78 3.66 0.72 0.00 -0.99 -4.99 105.19 104.18 2wkc n GLY 22 Ca 0.17 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 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 7.06 -0.11 1.61 1.01 -1.26 -1.60 116.67 119.37 2wkc s ASP 23 Ca 0.00 1.44 -0.05 0.00 0.71 0.00 0.00 52.55 54.65 2wkc s ASP 23 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 2wkc s ASP 23 CO 0.00 -0.70 0.06 -0.54 0.21 0.00 0.00 175.17 174.20 2wkc s LYS 24 N 3.28 3.32 -0.25 8.23 1.02 -0.75 -4.97 119.74 129.62 2wkc s LYS 24 Ca 0.46 -0.30 -0.09 0.00 0.02 0.00 0.00 55.97 56.06 2wkc s LYS 24 Cb -0.16 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.10 2wkc s LYS 24 CO 0.08 0.65 0.12 0.15 -0.92 0.00 0.00 175.35 175.43 2wkc s LYS 25 N -0.71 3.85 -0.19 1.68 1.02 -1.26 -1.41 119.74 122.72 2wkc s LYS 25 Ca 0.12 -0.38 -0.03 0.00 0.02 0.00 0.00 55.97 55.69 2wkc s LYS 25 Cb -0.12 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.73 2wkc s LYS 25 CO 0.02 -0.09 -0.05 0.42 -0.92 0.00 0.00 175.35 174.74 2wkc s ILE 26 N 1.41 3.52 0.11 2.17 1.01 -0.35 0.16 121.20 129.23 2wkc s ILE 26 Ca 0.06 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.27 2wkc s ILE 26 Cb -0.15 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 2wkc s ILE 26 CO 0.06 0.45 0.20 -0.51 0.00 0.00 0.00 174.94 175.14 2wkc s ILE 27 N 1.02 5.06 -0.15 2.92 2.07 -0.40 -1.23 121.20 130.49 2wkc s ILE 27 Ca 0.01 -0.68 -0.02 0.00 -1.41 0.00 0.00 60.65 58.54 2wkc s ILE 27 Cb -0.15 -3.53 0.05 0.00 0.13 0.00 0.00 42.46 38.96 2wkc s ILE 27 CO 0.00 0.01 0.02 -0.55 -1.91 0.00 0.00 174.94 172.51 2wkc s SER 28 N -2.85 2.46 0.07 4.50 0.15 -0.12 -1.45 113.70 116.46 2wkc s SER 28 Ca 0.33 -0.56 0.09 0.00 0.70 0.00 0.00 55.95 56.51 2wkc s SER 28 Cb -0.12 -0.57 -0.03 0.00 -1.71 0.00 0.00 66.02 63.59 2wkc s SER 28 CO 0.26 -0.26 -0.25 0.68 1.20 0.00 0.00 173.24 174.88 2wkc s VAL 29 N 1.88 2.01 0.24 4.45 -7.23 -0.65 -4.83 120.40 116.27 2wkc s VAL 29 Ca 0.01 -1.44 -0.30 0.00 -1.81 0.00 0.00 61.98 58.44 2wkc s VAL 29 Cb -0.15 -1.75 -0.10 0.00 0.56 0.00 0.00 36.38 34.94 2wkc s VAL 29 CO -0.07 0.23 1.41 -2.16 -0.31 0.00 0.00 175.10 174.20 2wkc s PRO 30 N -1.47 4.29 0.16 4.82 0.04 -1.26 -0.71 135.00 140.87 2wkc s PRO 30 Ca 0.11 2.25 0.24 0.00 0.04 0.00 0.00 61.00 63.63 2wkc s PRO 30 Cb -0.10 -3.13 0.28 0.00 0.04 0.00 0.00 34.50 31.59 2wkc s PRO 30 CO 0.03 -0.38 1.29 -0.07 0.04 0.00 0.00 177.00 177.90 2wkc h LEU 31 N 5.11 0.00 -8.18 -3.56 3.38 -1.65 -3.47 115.31 106.94 2wkc h LEU 31 Ca -0.46 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.26 2wkc h LEU 31 Cb 1.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 2wkc h LEU 31 CO 0.78 0.08 0.12 0.72 0.09 0.00 0.00 178.44 180.22 2wkc s PHE 32 N -3.21 0.43 0.38 1.13 -0.12 -1.26 -5.06 117.98 110.26 2wkc s PHE 32 Ca 0.05 -0.96 0.08 0.00 -0.05 0.00 0.00 56.93 56.05 2wkc s PHE 32 Cb 0.12 0.53 -0.02 0.00 -0.63 0.00 0.00 43.02 43.02 2wkc s PHE 32 CO 0.73 -1.42 0.34 -1.21 -0.05 0.00 0.00 175.22 173.61 2wkc s GLU 33 N -2.58 2.63 0.05 1.99 2.02 -1.26 -4.93 118.70 116.62 2wkc s GLU 33 Ca 0.20 -1.42 -0.04 0.00 0.02 0.00 0.00 54.97 53.73 2wkc s GLU 33 Cb -0.04 -2.43 -0.02 0.00 0.10 0.00 0.00 34.13 31.74 2wkc s GLU 33 CO 0.14 -0.06 0.06 -1.59 0.02 0.00 0.00 175.26 173.84 2wkc s LYS 34 N -4.07 0.63 0.61 1.61 -2.85 -1.26 -5.08 119.74 109.34 2wkc s LYS 34 Ca 0.45 -0.96 -0.18 0.00 -1.00 0.00 0.00 55.97 54.28 2wkc s LYS 34 Cb -0.05 0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 35.94 2wkc s LYS 34 CO 0.27 -0.15 1.23 -1.21 0.10 0.00 0.00 175.35 175.59 2wkc s GLU 35 N -3.28 2.82 -0.02 1.78 2.02 -1.26 -4.95 118.70 115.81 2wkc s GLU 35 Ca 0.01 1.88 -0.30 0.00 0.02 0.00 0.00 54.97 56.58 2wkc s GLU 35 Cb 0.03 -1.90 -0.06 0.00 0.10 0.00 0.00 34.13 32.30 2wkc s GLU 35 CO -0.08 -1.34 1.60 0.21 0.02 0.00 0.00 175.26 175.67 2wkc s LYS 36 N -3.38 4.20 0.00 1.61 2.20 -1.26 -2.61 119.74 120.51 2wkc s LYS 36 Ca 0.79 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 58.56 2wkc s LYS 36 Cb -0.32 -3.83 0.00 0.00 -1.51 0.00 0.00 37.83 32.17 2wkc s LYS 36 CO 0.35 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 2wkc n GLY 37 N 4.01 0.77 3.88 5.54 0.00 -1.26 -5.07 105.19 113.06 2wkc n GLY 37 Ca 0.16 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.89 6.20 0.35 1.61 0.15 -1.07 -5.02 113.70 113.02 2wkc s SER 38 Ca 0.00 0.25 0.24 0.00 0.70 0.00 0.00 55.95 57.14 2wkc s SER 38 Cb 0.00 -1.89 0.41 0.00 -1.71 0.00 0.00 66.02 62.83 2wkc s SER 38 CO 0.00 0.21 1.57 -1.13 1.20 0.00 0.00 173.24 175.09 2wkc h ASN 39 N 3.45 0.00 -3.96 5.45 -0.73 -1.98 -3.48 115.58 114.34 2wkc h ASN 39 Ca -0.47 -0.01 -0.54 0.00 1.87 0.00 0.00 56.30 57.15 2wkc h ASN 39 Cb 1.17 0.00 0.11 0.00 0.27 0.00 0.00 38.32 39.87 2wkc h ASN 39 CO 0.71 0.01 0.75 0.68 -0.37 0.00 0.00 177.43 179.21 2wkc s VAL 40 N -3.20 2.04 -0.42 2.57 -7.23 -1.26 -4.97 120.40 107.93 2wkc s VAL 40 Ca 0.07 0.04 -0.17 0.00 -1.81 0.00 0.00 61.98 60.11 2wkc s VAL 40 Cb 0.07 -3.02 0.02 0.00 0.56 0.00 0.00 36.38 34.01 2wkc s VAL 40 CO 0.67 0.01 0.43 -0.54 -0.31 0.00 0.00 175.10 175.35 2wkc s LYS 41 N -2.24 3.08 0.21 4.82 -0.14 -1.26 -5.04 119.74 119.16 2wkc s LYS 41 Ca 0.56 -0.80 -0.30 0.00 -1.36 0.00 0.00 55.97 54.07 2wkc s LYS 41 Cb -0.46 -3.97 -0.09 0.00 -1.68 0.00 0.00 37.83 31.63 2wkc s LYS 41 CO 0.61 -0.85 1.38 0.08 -0.76 0.00 0.00 175.35 175.81 2wkc s VAL 42 N 2.09 2.97 0.17 3.17 1.01 -1.26 -4.99 120.40 123.56 2wkc s VAL 42 Ca 0.11 0.79 -0.30 0.00 0.00 0.00 0.00 61.98 62.58 2wkc s VAL 42 Cb -0.17 -3.50 -0.08 0.00 0.00 0.00 0.00 36.38 32.62 2wkc s VAL 42 CO 0.13 0.11 1.27 0.00 0.00 0.00 0.00 175.10 176.62 2wkc s ALA 43 N 0.23 3.49 -0.10 5.51 0.00 -1.26 -4.98 121.76 124.64 2wkc s ALA 43 Ca 0.59 1.04 0.01 0.00 0.00 0.00 0.00 51.96 53.61 2wkc s ALA 43 Cb -0.39 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.25 2wkc s ALA 43 CO 0.39 -0.49 -0.15 0.71 0.00 0.00 0.00 175.76 176.22 2wkc s TYR 44 N 0.24 2.74 -0.13 0.00 2.02 -1.26 -1.54 117.35 119.42 2wkc s TYR 44 Ca 0.56 -0.56 -0.05 0.00 -0.37 0.00 0.00 57.07 56.65 2wkc s TYR 44 Cb -0.35 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.41 2wkc s TYR 44 CO 0.36 -0.13 0.06 0.20 -1.57 0.00 0.00 175.55 174.46 2wkc s GLY 45 N 0.06 1.95 0.10 0.71 0.00 0.12 -4.32 107.32 105.93 2wkc s GLY 45 Ca -0.06 -0.74 -0.08 0.00 0.00 0.00 0.00 44.72 43.84 2wkc s GLY 45 CO 0.05 -0.32 0.38 -0.56 0.00 0.00 0.00 173.10 172.65 2wkc s SER 46 N -0.51 6.57 -0.06 1.64 0.01 -0.38 -1.64 113.70 119.32 2wkc s SER 46 Ca 0.10 0.69 -0.17 0.00 1.31 0.00 0.00 55.95 57.88 2wkc s SER 46 Cb -0.12 -2.13 0.03 0.00 0.21 0.00 0.00 66.02 64.01 2wkc s SER 46 CO 0.02 0.13 0.39 0.00 0.41 0.00 0.00 173.24 174.20 2wkc s ALA 47 N -1.49 -0.99 0.15 1.44 0.00 -0.53 -1.54 121.76 118.80 2wkc s ALA 47 Ca 0.36 0.71 -0.30 0.00 0.00 0.00 0.00 51.96 52.73 2wkc s ALA 47 Cb -0.13 -0.16 -0.07 0.00 0.00 0.00 0.00 23.12 22.76 2wkc s ALA 47 CO 0.20 -0.26 1.09 -0.06 0.00 0.00 0.00 175.76 176.74 2wkc s PHE 48 N -0.84 3.60 0.18 0.00 0.08 -1.26 -1.28 117.98 118.46 2wkc s PHE 48 Ca -0.09 1.59 -0.07 0.00 0.12 0.00 0.00 56.93 58.48 2wkc s PHE 48 Cb -0.04 -3.26 -0.06 0.00 -0.57 0.00 0.00 43.02 39.09 2wkc s PHE 48 CO 0.04 -0.57 0.46 -0.51 -0.10 0.00 0.00 175.22 174.54 2wkc s LEU 49 N -0.13 4.23 0.81 -0.37 1.43 0.12 -4.92 118.68 119.85 2wkc s LEU 49 Ca 0.50 0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 54.26 2wkc s LEU 49 Cb -0.28 -3.47 0.08 0.00 0.03 0.00 0.00 46.19 42.55 2wkc s LEU 49 CO 0.33 0.00 1.09 -2.84 0.23 0.00 0.00 176.35 175.17 2wkc s PRO 50 N -2.68 1.94 0.47 1.29 0.02 -1.26 -4.41 135.00 130.37 2wkc s PRO 50 Ca 0.43 1.07 0.14 0.00 0.02 0.00 0.00 61.00 62.67 2wkc s PRO 50 Cb -0.12 -1.87 1.10 0.00 0.02 0.00 0.00 34.50 33.64 2wkc s PRO 50 CO 0.23 -1.84 2.06 -0.44 -0.33 0.00 0.00 177.00 176.67 2wkc h ASP 51 N -1.27 0.24 1.20 2.53 3.32 -1.98 -2.83 116.42 117.63 2wkc h ASP 51 Ca -0.45 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2wkc h ASP 51 Cb 1.25 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2wkc h ASP 51 CO 0.52 0.16 0.00 2.22 -1.72 0.00 0.00 179.24 180.42 2wkc n PHE 52 N -4.48 0.50 -2.64 4.55 1.16 -1.26 -4.86 117.46 110.43 2wkc n PHE 52 Ca 0.04 0.15 -0.41 0.00 -1.87 0.00 0.00 57.45 55.36 2wkc n PHE 52 Cb 0.22 -0.75 -0.05 0.00 -1.61 0.00 0.00 39.48 37.30 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 -3.07 4.05 0.21 1.97 1.01 -1.07 -5.06 121.20 119.25 2wkc s ILE 53 Ca 0.12 1.87 0.09 0.00 0.00 0.00 0.00 60.65 62.73 2wkc s ILE 53 Cb 0.15 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 2wkc s ILE 53 CO 0.55 0.37 -0.17 -1.10 0.00 0.00 0.00 174.94 174.59 2wkc s GLN 54 N -0.67 1.41 0.28 2.79 -1.52 -1.26 -5.02 119.66 115.67 2wkc s GLN 54 Ca 0.45 -1.60 -0.30 0.00 -1.95 0.00 0.00 55.36 51.97 2wkc s GLN 54 Cb -0.27 -1.34 -0.13 0.00 -0.22 0.00 0.00 33.01 31.05 2wkc s GLN 54 CO 0.33 0.24 1.36 1.28 -0.25 0.00 0.00 175.29 178.26 2wkc n LEU 55 N -0.29 3.29 0.00 2.90 4.77 -1.26 -1.18 117.00 125.24 2wkc n LEU 55 Ca -0.08 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.06 2wkc n LEU 55 Cb 0.59 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 2wkc n LEU 55 CO 0.34 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.53 2wkc n GLY 56 N 1.63 2.88 3.76 -0.72 0.00 0.76 -5.01 105.19 108.48 2wkc n GLY 56 Ca 0.09 0.00 -0.38 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 0.81 5.51 -0.18 1.61 1.01 -0.32 -4.75 116.67 120.35 2wkc s ASP 57 Ca 0.00 2.63 -0.03 0.00 0.71 0.00 0.00 52.55 55.85 2wkc s ASP 57 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 2wkc s ASP 57 CO 0.00 -1.39 -0.04 -0.89 0.21 0.00 0.00 175.17 173.05 2wkc s THR 58 N -1.38 3.61 0.15 -1.27 2.01 -1.26 -0.90 115.64 116.60 2wkc s THR 58 Ca 0.70 -0.44 0.09 0.00 0.31 0.00 0.00 61.69 62.35 2wkc s THR 58 Cb -0.37 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 2wkc s THR 58 CO 0.44 0.46 -0.21 0.68 -0.69 0.00 0.00 174.62 175.30 2wkc s VAL 59 N 0.87 1.94 -0.24 3.82 -7.23 -0.24 -0.58 120.40 118.74 2wkc s VAL 59 Ca -0.01 -1.83 -0.06 0.00 -1.81 0.00 0.00 61.98 58.27 2wkc s VAL 59 Cb -0.15 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.93 2wkc s VAL 59 CO 0.01 -0.17 0.04 -0.89 -0.31 0.00 0.00 175.10 173.78 2wkc s THR 60 N -1.64 4.05 -0.21 5.32 2.01 -0.41 -1.27 115.64 123.49 2wkc s THR 60 Ca 0.14 -0.27 -0.07 0.00 0.31 0.00 0.00 61.69 61.80 2wkc s THR 60 Cb -0.08 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 2wkc s THR 60 CO 0.07 0.36 0.07 -0.69 -0.69 0.00 0.00 174.62 173.73 2wkc s VAL 61 N 1.58 4.57 -0.06 3.82 1.01 0.35 -2.09 120.40 129.58 2wkc s VAL 61 Ca 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 2wkc s VAL 61 Cb -0.15 -3.09 0.04 0.00 0.00 0.00 0.00 36.38 33.17 2wkc s VAL 61 CO 0.02 0.40 0.12 -0.55 0.00 0.00 0.00 175.10 175.09 2wkc s SER 62 N 0.95 -0.08 0.00 3.32 0.15 -0.01 -0.69 113.70 117.33 2wkc s SER 62 Ca 0.04 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.94 2wkc s SER 62 Cb -0.14 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 2wkc s SER 62 CO 0.03 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2wkc n GLY 63 N 4.19 -0.21 3.90 9.45 0.00 -0.78 0.06 105.19 121.80 2wkc n GLY 63 Ca -0.27 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 2wkc n GLY 63 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wkc s ARG 64 N -2.00 3.65 -0.06 1.61 1.70 -1.26 -0.87 118.95 121.72 2wkc s ARG 64 Ca 0.00 0.16 0.04 0.00 -0.47 0.00 0.00 55.73 55.45 2wkc s ARG 64 Cb 0.00 -2.52 0.00 0.00 -0.57 0.00 0.00 34.95 31.86 2wkc s ARG 64 CO 0.00 0.06 -0.17 0.08 -1.08 0.00 0.00 175.30 174.19 2wkc s VAL 65 N -2.29 1.49 -0.09 4.99 1.01 -1.26 -1.27 120.40 122.97 2wkc s VAL 65 Ca 0.46 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2wkc s VAL 65 Cb -0.10 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 2wkc s VAL 65 CO 0.33 0.43 -0.07 -1.58 0.00 0.00 0.00 175.10 174.21 2wkc s GLN 66 N 0.30 2.94 -0.19 2.72 0.74 -0.05 -4.94 119.66 121.19 2wkc s GLN 66 Ca -0.11 -0.56 -0.13 0.00 0.05 0.00 0.00 55.36 54.60 2wkc s GLN 66 Cb -0.14 -2.63 -0.05 0.00 1.10 0.00 0.00 33.01 31.29 2wkc s GLN 66 CO 0.04 0.55 0.28 0.00 -0.55 0.00 0.00 175.29 175.62 2wkc s ALA 67 N -0.51 3.59 0.12 1.58 0.00 -1.26 -1.81 121.76 123.47 2wkc s ALA 67 Ca 0.08 -0.56 0.11 0.00 0.00 0.00 0.00 51.96 51.58 2wkc s ALA 67 Cb -0.12 -2.42 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 2wkc s ALA 67 CO 0.02 -0.04 -0.27 0.21 0.00 0.00 0.00 175.76 175.68 2wkc s LYS 68 N 0.76 1.41 -0.10 0.00 2.47 0.26 -4.98 119.74 119.55 2wkc s LYS 68 Ca 0.15 -1.32 -0.12 0.00 -1.56 0.00 0.00 55.97 53.12 2wkc s LYS 68 Cb -0.13 -1.87 -0.05 0.00 -1.46 0.00 0.00 37.83 34.32 2wkc s LYS 68 CO 0.04 0.45 0.27 -1.83 0.16 0.00 0.00 175.35 174.44 2wkc s GLU 69 N -1.99 3.87 -0.37 4.03 -1.05 -1.26 -1.39 118.70 120.54 2wkc s GLU 69 Ca 0.13 0.11 0.03 0.00 -0.15 0.00 0.00 54.97 55.09 2wkc s GLU 69 Cb -0.10 -3.28 0.16 0.00 -0.44 0.00 0.00 34.13 30.47 2wkc s GLU 69 CO 0.06 0.57 0.39 0.45 0.95 0.00 0.00 175.26 177.67 2wkc s SER 70 N -0.53 1.05 1.34 0.83 0.15 -0.01 -4.93 113.70 111.60 2wkc s SER 70 Ca 0.18 -1.55 0.00 0.00 0.70 0.00 0.00 55.95 55.28 2wkc s SER 70 Cb -0.14 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2wkc s SER 70 CO 0.07 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.86 2wkc n GLY 71 N 4.24 2.79 0.00 9.45 0.00 -1.26 -1.77 105.19 118.65 2wkc n GLY 71 Ca 0.11 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 45.99 2wkc n GLY 71 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wkc n GLU 72 N 11.00 0.88 -2.97 1.61 2.13 -1.26 -4.96 120.64 127.07 2wkc n GLU 72 Ca 0.00 -0.01 -0.40 0.00 0.66 0.00 0.00 57.16 57.41 2wkc n GLU 72 Cb 0.00 -1.38 -0.05 0.00 0.27 0.00 0.00 31.44 30.29 2wkc n GLU 72 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2wkc s TYR 73 N -2.78 3.69 -0.21 4.31 2.02 -0.73 -5.06 117.35 118.60 2wkc s TYR 73 Ca 0.06 1.44 -0.09 0.00 -0.37 0.00 0.00 57.07 58.11 2wkc s TYR 73 Cb 0.14 -2.84 -0.04 0.00 -0.40 0.00 0.00 41.96 38.81 2wkc s TYR 73 CO 0.76 0.20 0.11 0.08 -1.57 0.00 0.00 175.55 175.13 2wkc s VAL 74 N 0.25 5.08 -0.14 0.71 1.01 -1.26 -0.83 120.40 125.22 2wkc s VAL 74 Ca 0.39 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.38 2wkc s VAL 74 Cb -0.20 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 2wkc s VAL 74 CO 0.22 0.42 0.12 0.20 0.00 0.00 0.00 175.10 176.06 2wkc s ASN 75 N 0.61 6.19 -0.23 3.32 0.01 -0.48 -4.95 114.94 119.41 2wkc s ASN 75 Ca 0.06 0.36 -0.02 0.00 -0.71 0.00 0.00 52.86 52.54 2wkc s ASN 75 Cb -0.12 -2.01 0.01 0.00 0.41 0.00 0.00 41.25 39.54 2wkc s ASN 75 CO 0.01 0.34 -0.06 -0.31 -1.51 0.00 0.00 177.10 175.56 2wkc s TYR 76 N -0.60 2.99 -0.04 2.20 2.02 -1.26 -0.58 117.35 122.08 2wkc s TYR 76 Ca 0.12 -1.29 0.07 0.00 -0.37 0.00 0.00 57.07 55.60 2wkc s TYR 76 Cb -0.12 -2.07 -0.02 0.00 -0.40 0.00 0.00 41.96 39.36 2wkc s TYR 76 CO 0.02 -0.66 -0.24 -0.80 -1.57 0.00 0.00 175.55 172.30 2wkc s ASN 77 N 1.39 3.15 0.10 2.29 0.01 -0.75 -1.25 114.94 119.89 2wkc s ASN 77 Ca 0.03 -0.47 -0.31 0.00 -0.71 0.00 0.00 52.86 51.41 2wkc s ASN 77 Cb -0.15 -0.65 -0.07 0.00 0.41 0.00 0.00 41.25 40.78 2wkc s ASN 77 CO -0.05 0.28 1.27 -0.36 -1.51 0.00 0.00 177.10 176.73 2wkc s PHE 78 N -0.37 3.36 -0.55 2.20 0.08 -0.59 -0.87 117.98 121.23 2wkc s PHE 78 Ca 0.03 1.19 -0.18 0.00 0.12 0.00 0.00 56.93 58.09 2wkc s PHE 78 Cb -0.12 -3.52 0.10 0.00 -0.57 0.00 0.00 43.02 38.91 2wkc s PHE 78 CO 0.02 -1.69 0.60 0.08 -0.10 0.00 0.00 175.22 174.13 2wkc s VAL 79 N 0.86 4.99 -1.27 -0.44 1.01 -0.40 -4.60 120.40 120.55 2wkc s VAL 79 Ca 0.60 -1.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 2wkc s VAL 79 Cb -0.33 -4.38 -0.01 0.00 0.00 0.00 0.00 36.38 31.67 2wkc s VAL 79 CO 0.31 -0.94 0.71 0.49 0.00 0.00 0.00 175.10 175.66 2wkc n PHE 80 N 5.86 -1.93 -1.52 5.22 3.72 -1.26 -4.57 117.46 122.97 2wkc n PHE 80 Ca -0.11 0.77 -0.29 0.00 -0.05 0.00 0.00 57.45 57.77 2wkc n PHE 80 Cb 0.42 -4.17 0.13 0.00 -0.94 0.00 0.00 39.48 34.92 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 -5.90 1.36 0.00 -1.08 0.04 -1.26 -4.99 135.00 123.17 2wkc s PRO 81 Ca 0.11 0.40 -0.26 0.00 0.04 0.00 0.00 61.00 61.28 2wkc s PRO 81 Cb -0.03 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 2wkc s PRO 81 CO 0.82 -2.07 0.83 0.99 0.04 0.00 0.00 177.00 177.61 2wkc s THR 82 N -3.23 4.85 -0.14 1.26 2.01 0.11 -4.89 115.64 115.59 2wkc s THR 82 Ca 0.63 1.74 0.00 0.00 0.31 0.00 0.00 61.69 64.37 2wkc s THR 82 Cb -0.15 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 68.21 2wkc s THR 82 CO 0.54 0.27 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.91 2wkc s VAL 83 N 0.52 1.53 0.05 3.82 1.01 -1.26 -0.83 120.40 125.24 2wkc s VAL 83 Ca 0.43 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.84 2wkc s VAL 83 Cb -0.20 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 2wkc s VAL 83 CO 0.24 0.45 -0.10 -1.83 0.00 0.00 0.00 175.10 173.86 2wkc s GLU 84 N 1.49 0.64 -0.00 2.72 -1.05 -0.89 -4.99 118.70 116.63 2wkc s GLU 84 Ca 0.05 -0.81 -0.17 0.00 -0.15 0.00 0.00 54.97 53.88 2wkc s GLU 84 Cb -0.13 -0.51 -0.06 0.00 -0.44 0.00 0.00 34.13 33.00 2wkc s GLU 84 CO -0.10 0.10 0.48 0.21 0.95 0.00 0.00 175.26 176.90 2wkc s LYS 85 N -1.59 4.10 -0.02 -4.83 2.20 -1.26 -1.29 119.74 117.06 2wkc s LYS 85 Ca -0.06 0.53 -0.18 0.00 -0.36 0.00 0.00 55.97 55.90 2wkc s LYS 85 Cb -0.10 -3.27 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 2wkc s LYS 85 CO 0.01 0.56 0.50 0.08 -0.36 0.00 0.00 175.35 176.13 2wkc s VAL 86 N -0.71 4.99 -0.26 4.02 1.01 0.26 -4.96 120.40 124.75 2wkc s VAL 86 Ca 0.26 1.03 -0.21 0.00 0.00 0.00 0.00 61.98 63.05 2wkc s VAL 86 Cb -0.17 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 2wkc s VAL 86 CO 0.15 0.47 0.67 0.12 0.00 0.00 0.00 175.10 176.50 2wkc s PHE 87 N -0.43 3.27 -0.07 5.22 5.36 -1.26 -4.49 117.98 125.57 2wkc s PHE 87 Ca 0.27 0.82 0.05 0.00 -0.96 0.00 0.00 56.93 57.11 2wkc s PHE 87 Cb -0.17 -2.92 -0.01 0.00 -0.34 0.00 0.00 43.02 39.58 2wkc s PHE 87 CO 0.14 -0.38 -0.24 0.42 -1.46 0.00 0.00 175.22 173.71 2wkc s ILE 88 N 2.60 2.15 -1.03 3.12 -1.09 -1.26 -5.16 121.20 120.53 2wkc s ILE 88 Ca 0.27 -1.02 0.08 0.00 -2.23 0.00 0.00 60.65 57.75 2wkc s ILE 88 Cb -0.15 -1.79 0.07 0.00 -1.58 0.00 0.00 42.46 39.00 2wkc s ILE 88 CO 0.09 0.57 0.76 0.35 -1.23 0.00 0.00 174.94 175.48