#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cth s PRO 2 N 0.00 1.04 -0.07 0.00 0.02 -1.26 -5.00 135.00 129.73 2cth s PRO 2 Ca 0.00 0.00 -0.21 0.00 0.02 0.00 0.00 61.00 60.81 2cth s PRO 2 Cb 0.00 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 2cth s PRO 2 CO 0.00 -2.21 0.61 0.21 -0.33 0.00 0.00 177.00 175.28 2cth s LYS 3 N -5.56 4.38 0.48 5.54 2.20 -1.26 -5.06 119.74 120.46 2cth s LYS 3 Ca 0.67 0.72 -0.15 0.00 -0.36 0.00 0.00 55.97 56.84 2cth s LYS 3 Cb -0.10 -3.42 -0.08 0.00 -1.51 0.00 0.00 37.83 32.72 2cth s LYS 3 CO 0.52 0.16 0.92 0.00 -0.36 0.00 0.00 175.35 176.59 2cth s ALA 4 N 0.53 3.14 1.10 3.13 0.00 -1.26 -5.05 121.76 123.34 2cth s ALA 4 Ca 0.33 0.10 -0.15 0.00 0.00 0.00 0.00 51.96 52.24 2cth s ALA 4 Cb -0.17 -3.01 0.24 0.00 0.00 0.00 0.00 23.12 20.18 2cth s ALA 4 CO 0.16 -0.14 1.08 -1.25 0.00 0.00 0.00 175.76 175.61 2cth s PRO 5 N -3.92 -0.36 0.89 0.00 0.04 -1.26 -5.01 135.00 125.39 2cth s PRO 5 Ca 0.57 0.36 -0.12 0.00 0.04 0.00 0.00 61.00 61.85 2cth s PRO 5 Cb -0.10 -1.66 0.13 0.00 0.04 0.00 0.00 34.50 32.91 2cth s PRO 5 CO 0.30 -3.23 1.11 0.00 0.04 0.00 0.00 177.00 175.21 2cth s ALA 6 N -2.90 1.69 1.00 8.56 0.00 -1.26 -4.71 121.76 124.14 2cth s ALA 6 Ca 0.67 -0.29 -0.13 0.00 0.00 0.00 0.00 51.96 52.22 2cth s ALA 6 Cb -0.17 -3.11 0.19 0.00 0.00 0.00 0.00 23.12 20.03 2cth s ALA 6 CO 0.58 -2.25 1.10 -0.51 0.00 0.00 0.00 175.76 174.68 2cth s ASP 7 N -3.73 2.68 0.00 0.00 1.01 -1.26 -4.37 116.67 111.00 2cth s ASP 7 Ca 0.63 1.10 0.00 0.00 0.71 0.00 0.00 52.55 54.99 2cth s ASP 7 Cb -0.16 -1.73 0.00 0.00 1.01 0.00 0.00 42.92 42.04 2cth s ASP 7 CO 0.55 -3.09 0.00 0.61 0.21 0.00 0.00 175.17 173.46 2cth n GLY 8 N -1.32 0.41 3.71 0.21 0.00 -1.24 -5.02 105.19 101.94 2cth n GLY 8 Ca 0.05 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 2cth n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cth s LEU 9 N 0.00 4.36 -0.22 0.99 1.43 -1.03 -4.86 118.68 119.35 2cth s LEU 9 Ca 0.00 1.98 -0.10 0.00 -1.03 0.00 0.00 54.13 54.98 2cth s LEU 9 Cb 0.00 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 2cth s LEU 9 CO 0.00 -0.48 0.15 -0.75 0.23 0.00 0.00 176.35 175.50 2cth s LYS 10 N 1.23 4.12 -0.33 1.70 2.20 -1.26 -0.29 119.74 127.10 2cth s LYS 10 Ca 0.58 -0.25 -0.21 0.00 -0.36 0.00 0.00 55.97 55.74 2cth s LYS 10 Cb -0.29 -3.50 -0.00 0.00 -1.51 0.00 0.00 37.83 32.54 2cth s LYS 10 CO 0.28 0.15 0.64 -1.64 -0.36 0.00 0.00 175.35 174.42 2cth s MET 11 N 0.80 3.79 -0.27 4.03 -1.94 0.16 -4.93 119.30 120.94 2cth s MET 11 Ca 0.08 0.19 0.19 0.00 -1.71 0.00 0.00 55.69 54.43 2cth s MET 11 Cb -0.13 -3.77 0.50 0.00 2.01 0.00 0.00 34.83 33.44 2cth s MET 11 CO 0.02 -0.66 1.13 -0.85 -0.01 0.00 0.00 175.02 174.65 2cth n GLU 12 N 5.99 2.23 0.00 2.03 0.28 -1.26 -1.70 120.64 128.20 2cth n GLU 12 Ca -0.01 -3.68 0.14 0.00 -0.16 0.00 0.00 57.16 53.45 2cth n GLU 12 Cb 0.49 -1.78 0.66 0.00 1.43 0.00 0.00 31.44 32.24 2cth n GLU 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2cth n ALA 13 N -0.62 2.59 -4.04 -1.84 0.00 -1.26 -4.90 120.51 110.43 2cth n ALA 13 Ca 0.17 -0.18 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 2cth n ALA 13 Cb 0.84 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.83 2cth n ALA 13 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2cth n THR 14 N -1.25 0.00 1.97 0.00 -2.24 -1.26 -5.02 114.28 106.47 2cth n THR 14 Ca 0.12 -1.26 0.14 0.00 -2.27 0.00 0.00 64.05 60.78 2cth n THR 14 Cb 0.28 0.43 0.79 0.00 -2.10 0.00 0.00 70.33 69.72 2cth n THR 14 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2cth n LYS 15 N -0.51 1.04 -3.45 -0.78 5.02 -1.26 -4.18 118.16 114.04 2cth n LYS 15 Ca -0.04 -0.05 -0.26 0.00 -2.02 0.00 0.00 58.31 55.93 2cth n LYS 15 Cb 0.33 -1.43 -0.09 0.00 -0.02 0.00 0.00 35.03 33.82 2cth n LYS 15 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2cth n GLN 16 N -0.86 1.04 -1.53 1.97 1.13 -1.26 -5.12 117.38 112.75 2cth n GLN 16 Ca 0.20 -3.70 -0.34 0.00 -1.94 0.00 0.00 57.00 51.22 2cth n GLN 16 Cb 0.11 -1.78 0.08 0.00 0.11 0.00 0.00 30.24 28.76 2cth n GLN 16 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 2cth s PRO 17 N -0.98 2.36 0.01 -1.09 0.02 -1.26 -5.02 135.00 129.03 2cth s PRO 17 Ca 0.33 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.95 2cth s PRO 17 Cb 0.07 -1.88 -0.01 0.00 0.02 0.00 0.00 34.50 32.71 2cth s PRO 17 CO -0.14 -1.63 -0.02 0.08 -0.33 0.00 0.00 177.00 174.95 2cth s VAL 18 N -2.16 0.10 -0.14 3.83 1.01 -0.69 -4.92 120.40 117.44 2cth s VAL 18 Ca 0.71 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 62.06 2cth s VAL 18 Cb -0.25 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.90 2cth s VAL 18 CO 0.44 -0.25 0.27 -0.69 0.00 0.00 0.00 175.10 174.87 2cth s VAL 19 N -0.77 5.31 -0.16 2.92 1.01 -1.26 -0.66 120.40 126.78 2cth s VAL 19 Ca -0.08 0.51 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 2cth s VAL 19 Cb -0.05 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2cth s VAL 19 CO -0.00 0.43 -0.11 0.12 0.00 0.00 0.00 175.10 175.54 2cth s PHE 20 N 0.16 2.86 -0.20 5.22 5.36 0.60 -4.96 117.98 127.01 2cth s PHE 20 Ca 0.16 -0.83 -0.02 0.00 -0.96 0.00 0.00 56.93 55.29 2cth s PHE 20 Cb -0.13 -1.93 0.00 0.00 -0.34 0.00 0.00 43.02 40.62 2cth s PHE 20 CO 0.04 -0.37 -0.10 -0.80 -1.46 0.00 0.00 175.22 172.53 2cth s ASN 21 N 0.79 3.89 0.37 6.13 0.01 -1.26 -2.45 114.94 122.42 2cth s ASN 21 Ca -0.04 -0.48 0.13 0.00 -0.71 0.00 0.00 52.86 51.76 2cth s ASN 21 Cb -0.15 -1.65 0.73 0.00 0.41 0.00 0.00 41.25 40.59 2cth s ASN 21 CO 0.01 -0.01 1.83 0.45 -1.51 0.00 0.00 177.10 177.88 2cth h HIS 22 N 8.02 0.00 -0.35 2.20 3.86 -1.84 -3.23 115.15 123.82 2cth h HIS 22 Ca -0.43 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 58.76 2cth h HIS 22 Cb 1.15 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.61 2cth h HIS 22 CO 0.54 0.37 0.10 0.66 0.86 0.00 0.00 177.93 180.46 2cth h SER 23 N 0.00 0.46 -0.05 2.45 4.64 -1.94 -1.05 113.55 118.06 2cth h SER 23 Ca -0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2cth h SER 23 Cb 0.64 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2cth h SER 23 CO 0.05 0.45 0.00 0.35 -0.87 0.00 0.00 176.83 176.81 2cth n THR 24 N -4.36 0.06 -1.30 2.95 -2.24 -1.22 -3.32 114.28 104.85 2cth n THR 24 Ca 0.02 -0.14 0.08 0.00 -2.27 0.00 0.00 64.05 61.74 2cth n THR 24 Cb 0.17 -0.01 0.16 0.00 -2.10 0.00 0.00 70.33 68.56 2cth n THR 24 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2cth n HIS 25 N -0.35 0.00 0.30 4.78 8.25 -0.41 -4.73 115.22 123.05 2cth n HIS 25 Ca 0.17 -1.17 0.18 0.00 -0.26 0.00 0.00 57.72 56.65 2cth n HIS 25 Cb 0.20 -0.19 1.00 0.00 1.12 0.00 0.00 29.99 32.13 2cth n HIS 25 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2cth h LYS 26 N 0.39 0.00 -0.00 -0.41 1.57 -1.51 -2.02 116.57 114.58 2cth h LYS 26 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2cth h LYS 26 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 2cth h LYS 26 CO 0.00 0.00 -0.23 -1.13 -0.57 0.00 0.00 179.45 177.52 2cth n SER 27 N -3.47 0.40 -4.86 0.86 3.41 -1.26 -4.82 113.62 103.88 2cth n SER 27 Ca -0.02 -0.21 -0.37 0.00 -0.26 0.00 0.00 58.87 58.01 2cth n SER 27 Cb 0.16 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 2cth n SER 27 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2cth s VAL 28 N -2.79 5.39 0.42 -3.33 1.01 -0.76 -5.07 120.40 115.26 2cth s VAL 28 Ca 0.18 0.37 -0.23 0.00 0.00 0.00 0.00 61.98 62.30 2cth s VAL 28 Cb 0.19 -3.48 -0.09 0.00 0.00 0.00 0.00 36.38 33.00 2cth s VAL 28 CO 0.57 0.60 1.04 -1.59 0.00 0.00 0.00 175.10 175.72 2cth s LYS 29 N -0.99 4.09 0.21 2.72 -2.85 -1.26 -4.93 119.74 116.73 2cth s LYS 29 Ca 0.17 1.44 -0.14 0.00 -1.00 0.00 0.00 55.97 56.44 2cth s LYS 29 Cb -0.13 -2.41 0.24 0.00 -2.06 0.00 0.00 37.83 33.48 2cth s LYS 29 CO 0.06 -0.20 1.61 0.00 0.10 0.00 0.00 175.35 176.93 2cth h GLY 31 N -0.02 0.00 2.00 0.00 0.00 -1.92 -0.38 103.07 102.74 2cth h GLY 31 Ca 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 2cth h GLY 31 CO -0.69 0.00 -0.08 -0.55 0.00 0.00 0.00 176.54 175.22 2cth h ASP 32 N 0.00 0.00 0.00 0.19 5.19 -1.59 -3.26 116.42 116.95 2cth h ASP 32 Ca 0.00 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.23 2cth h ASP 32 Cb 0.11 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.59 2cth h ASP 32 CO 0.00 0.08 -1.64 0.00 -3.12 0.00 0.00 179.24 174.56 2cth n HIS 34 N -3.17 3.53 -1.63 0.00 8.25 -0.21 -4.97 115.22 117.02 2cth n HIS 34 Ca -0.21 -2.93 -0.33 0.00 -0.26 0.00 0.00 57.72 53.99 2cth n HIS 34 Cb 0.68 -2.17 0.06 0.00 1.12 0.00 0.00 29.99 29.69 2cth n HIS 34 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2cth s HIS 35 N 1.46 2.45 0.40 4.41 -0.00 -1.23 -4.13 115.29 118.64 2cth s HIS 35 Ca 0.43 1.57 -0.26 0.00 -0.00 0.00 0.00 55.06 56.80 2cth s HIS 35 Cb 0.08 -3.25 -0.10 0.00 -0.00 0.00 0.00 32.58 29.31 2cth s HIS 35 CO -0.01 -1.95 1.29 -2.30 -0.00 0.00 0.00 174.74 171.77 2cth n PRO 36 N -2.57 2.04 -3.70 -0.38 -0.02 -1.26 -3.39 135.00 125.71 2cth n PRO 36 Ca 0.11 0.72 -0.29 0.00 -2.02 0.00 0.00 63.50 62.02 2cth n PRO 36 Cb 0.52 -2.40 -0.15 0.00 -0.02 0.00 0.00 33.50 31.45 2cth n PRO 36 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2cth s VAL 37 N -1.17 0.63 0.00 -1.45 0.11 -0.04 -4.83 120.40 113.65 2cth s VAL 37 Ca 0.59 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 2cth s VAL 37 Cb -0.52 -1.38 0.00 0.00 -1.53 0.00 0.00 36.38 32.95 2cth s VAL 37 CO 0.60 -0.55 0.00 -3.20 -3.33 0.00 0.00 175.10 168.62 2cth n ASN 38 N 4.97 -1.61 -1.76 3.54 2.85 -1.26 -4.00 115.26 117.99 2cth n ASN 38 Ca -0.05 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.25 2cth n ASN 38 Cb 0.43 -0.40 -0.03 0.00 1.24 0.00 0.00 39.78 41.03 2cth n ASN 38 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2cth n GLY 39 N -0.68 0.24 3.53 8.20 0.00 -1.26 -4.99 105.19 110.22 2cth n GLY 39 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 2cth n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cth s LYS 40 N -4.45 0.61 0.21 1.61 2.36 -1.26 -5.08 119.74 113.74 2cth s LYS 40 Ca 0.00 1.12 -0.32 0.00 -2.55 0.00 0.00 55.97 54.21 2cth s LYS 40 Cb 0.00 0.13 -0.12 0.00 -1.05 0.00 0.00 37.83 36.79 2cth s LYS 40 CO 0.00 -0.16 1.67 0.39 1.55 0.00 0.00 175.35 178.80 2cth n GLU 41 N 4.38 2.62 -4.85 4.03 1.02 -1.26 -0.86 120.64 125.71 2cth n GLU 41 Ca -0.20 0.94 -0.33 0.00 -0.02 0.00 0.00 57.16 57.55 2cth n GLU 41 Cb 0.57 -2.76 -0.14 0.00 -0.02 0.00 0.00 31.44 29.09 2cth n GLU 41 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2cth s ASP 42 N 0.99 3.92 -0.14 1.62 -1.08 -1.22 -4.90 116.67 115.88 2cth s ASP 42 Ca 0.74 -0.31 0.16 0.00 -0.52 0.00 0.00 52.55 52.62 2cth s ASP 42 Cb -0.54 -1.36 0.61 0.00 -1.46 0.00 0.00 42.92 40.17 2cth s ASP 42 CO 0.36 0.22 1.53 -1.22 0.52 0.00 0.00 175.17 176.58 2cth n TYR 43 N 3.17 1.26 -1.45 -5.34 4.01 -1.26 -4.41 117.16 113.14 2cth n TYR 43 Ca -0.18 -0.69 -0.30 0.00 -0.16 0.00 0.00 57.90 56.57 2cth n TYR 43 Cb 0.53 -0.28 0.11 0.00 -0.31 0.00 0.00 39.34 39.39 2cth n TYR 43 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2cth s ARG 44 N -2.17 1.68 0.32 -0.72 0.52 -1.26 -4.95 118.95 112.37 2cth s ARG 44 Ca 0.45 0.63 -0.29 0.00 -0.52 0.00 0.00 55.73 56.00 2cth s ARG 44 Cb 0.31 -1.87 -0.12 0.00 0.52 0.00 0.00 34.95 33.79 2cth s ARG 44 CO 0.17 -1.90 1.37 1.63 0.02 0.00 0.00 175.30 176.58 2cth n LYS 45 N -3.62 2.23 -0.36 3.54 5.02 -1.26 -4.89 118.16 118.82 2cth n LYS 45 Ca 0.07 0.79 0.03 0.00 -2.02 0.00 0.00 58.31 57.18 2cth n LYS 45 Cb 0.56 -2.42 0.18 0.00 -0.02 0.00 0.00 35.03 33.34 2cth n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cth n GLY 47 N -1.36 0.11 3.67 0.00 0.00 -1.26 -2.05 105.19 104.30 2cth n GLY 47 Ca 0.16 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2cth n GLY 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2cth n THR 48 N 0.02 2.59 -1.69 2.61 -1.04 -0.82 -4.55 114.28 111.40 2cth n THR 48 Ca 0.06 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 61.13 2cth n THR 48 Cb 0.19 -1.40 -0.02 0.00 -1.82 0.00 0.00 70.33 67.28 2cth n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cth n ALA 49 N -0.37 1.40 0.00 2.41 0.00 -1.26 -0.60 120.51 122.10 2cth n ALA 49 Ca 0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2cth n ALA 49 Cb 0.40 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.53 2cth n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cth n GLY 50 N 2.18 1.62 0.00 0.00 0.00 -1.26 -4.97 105.19 102.76 2cth n GLY 50 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2cth n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cth n HIS 52 N 0.00 2.88 -0.37 0.00 8.25 -0.87 -4.73 115.22 120.39 2cth n HIS 52 Ca 0.00 -2.79 0.10 0.00 -0.26 0.00 0.00 57.72 54.77 2cth n HIS 52 Cb 0.00 -1.62 0.29 0.00 1.12 0.00 0.00 29.99 29.78 2cth n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2cth n ASP 53 N 2.71 3.84 -4.63 0.41 5.75 -1.16 -4.18 116.55 119.29 2cth n ASP 53 Ca 0.32 -2.06 -0.42 0.00 -0.01 0.00 0.00 54.79 52.63 2cth n ASP 53 Cb 0.35 -0.45 -0.05 0.00 -1.03 0.00 0.00 41.12 39.95 2cth n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2cth s SER 54 N -1.00 6.74 -0.11 -1.12 0.15 -0.88 -4.93 113.70 112.55 2cth s SER 54 Ca 0.44 0.84 0.12 0.00 0.70 0.00 0.00 55.95 58.05 2cth s SER 54 Cb 0.24 -2.42 0.53 0.00 -1.71 0.00 0.00 66.02 62.66 2cth s SER 54 CO 0.29 -0.56 1.37 0.23 1.20 0.00 0.00 173.24 175.76 2cth n MET 55 N 6.11 3.20 -2.91 5.44 2.81 -1.26 -1.96 117.12 128.55 2cth n MET 55 Ca 0.05 -2.06 -0.42 0.00 -1.81 0.00 0.00 57.70 53.45 2cth n MET 55 Cb 0.48 -1.83 -0.05 0.00 -0.71 0.00 0.00 33.22 31.12 2cth n MET 55 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2cth s ASP 56 N -0.68 6.71 0.37 7.83 2.15 -1.26 -4.91 116.67 126.87 2cth s ASP 56 Ca 0.36 0.77 0.26 0.00 0.43 0.00 0.00 52.55 54.37 2cth s ASP 56 Cb 0.25 -2.42 1.30 0.00 -0.30 0.00 0.00 42.92 41.75 2cth s ASP 56 CO 0.15 -0.61 1.79 0.11 -0.17 0.00 0.00 175.17 176.44 2cth h LYS 57 N 8.02 0.00 -0.01 4.34 1.57 -2.02 -1.83 116.57 126.65 2cth h LYS 57 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2cth h LYS 57 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2cth h LYS 57 CO 0.89 0.00 -0.17 1.63 -0.57 0.00 0.00 179.45 181.23 2cth n LYS 58 N -2.43 0.92 -3.09 3.15 5.02 -1.26 -4.80 118.16 115.68 2cth n LYS 58 Ca -0.00 -0.47 -0.43 0.00 -2.02 0.00 0.00 58.31 55.38 2cth n LYS 58 Cb 0.12 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.57 2cth n LYS 58 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2cth s ASP 59 N -2.41 6.36 -0.17 4.39 -1.08 -0.69 -4.89 116.67 118.18 2cth s ASP 59 Ca 0.28 -0.21 0.16 0.00 -0.52 0.00 0.00 52.55 52.26 2cth s ASP 59 Cb 0.20 -2.33 0.56 0.00 -1.46 0.00 0.00 42.92 39.89 2cth s ASP 59 CO 0.48 -0.76 1.47 0.29 0.52 0.00 0.00 175.17 177.16 2cth n LYS 60 N 6.28 3.26 -1.65 4.34 5.02 -1.26 -4.28 118.16 129.86 2cth n LYS 60 Ca -0.01 -2.83 -0.29 0.00 -2.02 0.00 0.00 58.31 53.16 2cth n LYS 60 Cb 0.48 -1.86 0.16 0.00 -0.02 0.00 0.00 35.03 33.78 2cth n LYS 60 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2cth s SER 61 N -1.63 3.23 0.27 4.39 1.04 -1.26 -4.92 113.70 114.82 2cth s SER 61 Ca 0.43 0.69 0.21 0.00 0.48 0.00 0.00 55.95 57.76 2cth s SER 61 Cb 0.33 -1.05 1.03 0.00 0.10 0.00 0.00 66.02 66.43 2cth s SER 61 CO 0.11 -2.70 1.64 0.00 0.98 0.00 0.00 173.24 173.28 2cth n ALA 62 N -3.82 1.30 0.21 5.32 0.00 -1.26 -2.15 120.51 120.11 2cth n ALA 62 Ca 0.10 0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.77 2cth n ALA 62 Cb 0.60 -1.33 0.31 0.00 0.00 0.00 0.00 19.45 19.03 2cth n ALA 62 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2cth h LYS 63 N 0.00 0.00 -6.25 0.00 1.79 -1.91 -3.45 116.57 106.75 2cth h LYS 63 Ca 0.00 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 2cth h LYS 63 Cb 0.15 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 2cth h LYS 63 CO 0.00 0.24 1.22 0.20 -1.08 0.00 0.00 179.45 180.02 2cth s GLY 64 N -4.31 1.22 0.06 3.86 0.00 -0.91 -2.08 107.32 105.16 2cth s GLY 64 Ca 0.03 0.86 -0.21 0.00 0.00 0.00 0.00 44.72 45.40 2cth s GLY 64 CO 0.66 3.29 1.46 -1.82 0.00 0.00 0.00 173.10 176.69 2cth h TYR 65 N 11.24 0.33 -0.57 1.90 3.20 -1.56 -2.16 116.97 129.35 2cth h TYR 65 Ca -0.41 -0.07 0.06 0.00 3.14 0.00 0.00 58.73 61.46 2cth h TYR 65 Cb 1.20 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 39.33 2cth h TYR 65 CO 0.92 0.55 0.28 -0.92 -1.64 0.00 0.00 178.16 177.35 2cth h TYR 66 N 0.02 0.50 -0.34 -3.82 5.03 -1.88 -2.82 116.97 113.66 2cth h TYR 66 Ca 0.04 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.43 2cth h TYR 66 Cb 0.44 -0.14 -0.04 0.00 1.55 0.00 0.00 36.73 38.53 2cth h TYR 66 CO 0.05 0.22 0.07 1.25 -1.32 0.00 0.00 178.16 178.43 2cth h HIS 67 N 0.52 0.12 0.00 -3.82 2.76 -1.74 -2.18 115.15 110.82 2cth h HIS 67 Ca 0.26 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 2cth h HIS 67 Cb 0.21 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.17 2cth h HIS 67 CO -0.11 0.03 0.00 -0.39 -1.30 0.00 0.00 177.93 176.15 2cth h VAL 68 N 0.20 0.00 0.00 5.26 -1.51 -1.14 -1.56 116.25 117.50 2cth h VAL 68 Ca 0.16 -0.27 -0.07 0.00 -1.23 0.00 0.00 66.70 65.29 2cth h VAL 68 Cb 0.17 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.41 2cth h VAL 68 CO -0.21 0.00 -1.73 0.23 -1.23 0.00 0.00 177.57 174.63 2cth n MET 69 N -2.62 0.65 -0.02 5.19 2.81 -0.87 -4.19 117.12 118.06 2cth n MET 69 Ca 0.01 -0.04 -0.01 0.00 -1.81 0.00 0.00 57.70 55.85 2cth n MET 69 Cb 0.21 -1.63 -0.03 0.00 -0.71 0.00 0.00 33.22 31.06 2cth n MET 69 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2cth n HIS 70 N -2.51 0.00 -2.47 2.03 -0.00 -0.90 -2.28 115.22 109.09 2cth n HIS 70 Ca -0.08 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.39 2cth n HIS 70 Cb 0.68 -0.17 0.03 0.00 -0.00 0.00 0.00 29.99 30.53 2cth n HIS 70 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2cth s ASP 71 N -3.26 5.57 0.01 0.41 1.01 -0.61 -4.50 116.67 115.30 2cth s ASP 71 Ca -0.02 0.62 0.20 0.00 0.71 0.00 0.00 52.55 54.06 2cth s ASP 71 Cb 0.02 -1.62 -0.21 0.00 1.01 0.00 0.00 42.92 42.11 2cth s ASP 71 CO 0.17 -1.05 0.60 0.29 0.21 0.00 0.00 175.17 175.38 2cth n LYS 72 N -2.53 0.65 -2.64 8.23 5.02 -1.26 -4.47 118.16 121.15 2cth n LYS 72 Ca 0.04 -0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.96 2cth n LYS 72 Cb 0.58 -1.65 0.01 0.00 -0.02 0.00 0.00 35.03 33.95 2cth n LYS 72 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2cth n ASN 73 N -2.58 6.64 -4.94 4.39 3.02 -1.26 -4.97 115.26 115.57 2cth n ASN 73 Ca -0.10 -3.70 -0.23 0.00 -0.03 0.00 0.00 54.58 50.51 2cth n ASN 73 Cb 0.74 -1.00 -0.03 0.00 -0.61 0.00 0.00 39.78 38.88 2cth n ASN 73 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2cth s THR 74 N -4.47 5.16 0.22 3.41 -4.23 -1.26 -5.01 115.64 109.47 2cth s THR 74 Ca 0.43 -0.91 -0.09 0.00 -1.18 0.00 0.00 61.69 59.94 2cth s THR 74 Cb 0.24 -3.74 0.19 0.00 1.34 0.00 0.00 72.50 70.53 2cth s THR 74 CO -0.16 -0.22 1.87 0.11 -0.54 0.00 0.00 174.62 175.68 2cth h LYS 75 N 1.66 1.14 -6.56 3.99 1.57 -1.99 -3.42 116.57 112.96 2cth h LYS 75 Ca -0.50 -0.10 -0.66 0.00 -1.87 0.00 0.00 60.65 57.53 2cth h LYS 75 Cb 1.22 -0.24 -0.16 0.00 0.08 0.00 0.00 32.23 33.13 2cth h LYS 75 CO 0.64 0.79 -0.75 -0.06 -0.57 0.00 0.00 179.45 179.50 2cth s PHE 76 N -6.00 2.66 0.19 -1.35 0.08 -1.26 -5.09 117.98 107.22 2cth s PHE 76 Ca -0.13 -0.20 -0.30 0.00 0.12 0.00 0.00 56.93 56.42 2cth s PHE 76 Cb 0.16 -1.37 -0.09 0.00 -0.57 0.00 0.00 43.02 41.15 2cth s PHE 76 CO 0.80 0.44 1.35 0.15 -0.10 0.00 0.00 175.22 177.87 2cth s LYS 77 N -2.39 4.35 0.89 0.44 1.02 -1.26 -5.02 119.74 117.77 2cth s LYS 77 Ca 0.22 2.11 -0.14 0.00 0.02 0.00 0.00 55.97 58.18 2cth s LYS 77 Cb -0.10 -3.19 0.14 0.00 -0.52 0.00 0.00 37.83 34.16 2cth s LYS 77 CO 0.13 -0.32 1.25 -1.54 -0.92 0.00 0.00 175.35 173.95 2cth s SER 78 N 0.49 3.81 0.10 2.83 1.04 -1.26 -4.80 113.70 115.90 2cth s SER 78 Ca 0.59 0.54 -0.22 0.00 0.48 0.00 0.00 55.95 57.34 2cth s SER 78 Cb -0.38 -0.81 -0.11 0.00 0.10 0.00 0.00 66.02 64.82 2cth s SER 78 CO 0.38 -2.32 1.73 0.00 0.98 0.00 0.00 173.24 174.00 2cth h VAL 80 N 0.02 1.33 -0.09 0.00 2.07 -1.71 -2.45 116.25 115.42 2cth h VAL 80 Ca 0.03 -1.93 0.01 0.00 0.82 0.00 0.00 66.70 65.64 2cth h VAL 80 Cb 0.04 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2cth h VAL 80 CO -0.06 0.60 0.01 1.23 0.02 0.00 0.00 177.57 179.36 2cth h GLY 81 N 1.03 0.09 1.10 2.17 0.00 -1.73 -0.74 103.07 105.00 2cth h GLY 81 Ca -0.01 -0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 2cth h GLY 81 CO 0.12 -0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.52 2cth h HIS 83 N 0.92 0.00 -0.69 0.00 3.86 -0.99 -1.66 115.15 116.59 2cth h HIS 83 Ca 0.14 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.30 2cth h HIS 83 Cb 0.71 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.15 2cth h HIS 83 CO 0.05 0.08 0.24 0.28 0.86 0.00 0.00 177.93 179.44 2cth h VAL 84 N 0.00 1.25 -0.20 2.45 2.07 -1.01 -1.05 116.25 119.77 2cth h VAL 84 Ca -0.00 -0.83 -0.13 0.00 0.82 0.00 0.00 66.70 66.56 2cth h VAL 84 Cb 0.15 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2cth h VAL 84 CO 0.01 0.33 -0.42 -0.33 0.02 0.00 0.00 177.57 177.18 2cth h GLU 85 N 0.99 0.47 -0.14 1.57 5.08 -1.36 -2.69 114.58 118.51 2cth h GLU 85 Ca 0.22 -0.24 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 2cth h GLU 85 Cb 0.26 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2cth h GLU 85 CO -0.01 0.81 -0.70 0.28 -1.00 0.00 0.00 179.01 178.38 2cth h VAL 86 N 0.39 1.33 -0.02 3.13 2.07 -1.17 -3.27 116.25 118.70 2cth h VAL 86 Ca 0.03 -1.99 -0.16 0.00 0.82 0.00 0.00 66.70 65.40 2cth h VAL 86 Cb 0.90 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 2cth h VAL 86 CO 0.08 0.62 -0.71 0.00 0.02 0.00 0.00 177.57 177.57 2cth h ALA 87 N 0.79 0.76 -0.86 1.67 0.00 -1.12 -3.48 119.26 117.02 2cth h ALA 87 Ca -0.03 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2cth h ALA 87 Cb 1.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2cth h ALA 87 CO 0.13 0.83 0.00 0.41 0.00 0.00 0.00 179.25 180.62 2cth n GLY 88 N 0.51 3.39 1.70 0.00 0.00 -1.02 -2.44 105.19 107.33 2cth n GLY 88 Ca -0.02 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 45.96 2cth n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cth n ALA 89 N 10.95 3.54 -2.57 4.61 0.00 -1.26 -4.88 120.51 130.90 2cth n ALA 89 Ca 0.00 -1.85 -0.43 0.00 0.00 0.00 0.00 53.44 51.16 2cth n ALA 89 Cb 0.00 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 18.34 2cth n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2cth s ASP 90 N -0.93 6.29 0.27 0.00 -1.08 -1.02 -4.93 116.67 115.27 2cth s ASP 90 Ca 0.52 -0.50 -0.01 0.00 -0.52 0.00 0.00 52.55 52.05 2cth s ASP 90 Cb 0.38 -2.31 0.51 0.00 -1.46 0.00 0.00 42.92 40.04 2cth s ASP 90 CO 0.18 -0.81 1.81 0.00 0.52 0.00 0.00 175.17 176.88 2cth h ALA 91 N 8.91 1.38 -0.30 3.66 0.00 -1.89 0.77 119.26 131.79 2cth h ALA 91 Ca -0.26 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2cth h ALA 91 Cb 1.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2cth h ALA 91 CO 0.91 0.11 0.10 0.00 0.00 0.00 0.00 179.25 180.37 2cth h ALA 92 N 1.52 0.39 -0.48 0.00 0.00 -1.96 -1.95 119.26 116.78 2cth h ALA 92 Ca 0.47 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 55.10 2cth h ALA 92 Cb 0.50 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2cth h ALA 92 CO -0.28 0.01 -0.24 0.87 0.00 0.00 0.00 179.25 179.61 2cth h LYS 93 N 0.33 1.00 -0.71 0.00 1.57 -1.69 -2.14 116.57 114.93 2cth h LYS 93 Ca 0.10 -0.44 0.02 0.00 -1.87 0.00 0.00 60.65 58.46 2cth h LYS 93 Cb 0.23 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 2cth h LYS 93 CO -0.00 1.12 0.46 0.87 -0.57 0.00 0.00 179.45 181.32 2cth h LYS 94 N 0.86 0.88 -0.29 3.15 1.57 -0.76 0.14 116.57 122.11 2cth h LYS 94 Ca 0.11 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2cth h LYS 94 Cb 0.82 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2cth h LYS 94 CO 0.07 0.58 0.06 -0.22 -0.57 0.00 0.00 179.45 179.37 2cth h LYS 95 N 0.91 0.48 -0.57 3.15 3.11 -1.22 0.36 116.57 122.79 2cth h LYS 95 Ca 0.27 -0.12 -0.09 0.00 -2.81 0.00 0.00 60.65 57.91 2cth h LYS 95 Cb -0.04 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.11 2cth h LYS 95 CO -0.09 0.57 0.01 -0.44 -2.81 0.00 0.00 179.45 176.69 2cth h ASP 96 N 0.31 0.94 0.00 4.20 3.32 -1.17 -2.45 116.42 121.57 2cth h ASP 96 Ca 0.09 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.89 2cth h ASP 96 Cb 0.32 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2cth h ASP 96 CO 0.00 0.99 -1.35 0.18 -1.72 0.00 0.00 179.24 177.34 2cth n LEU 97 N -4.19 0.41 0.00 1.55 4.77 0.45 -1.05 117.00 118.94 2cth n LEU 97 Ca 0.03 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 2cth n LEU 97 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2cth n LEU 97 CO 0.43 0.10 0.00 0.35 -1.33 0.00 0.00 177.39 176.95 2cth n THR 98 N -1.79 0.00 -1.97 -5.08 -2.24 0.12 -4.88 114.28 98.45 2cth n THR 98 Ca -0.00 -0.34 -0.36 0.00 -2.27 0.00 0.00 64.05 61.07 2cth n THR 98 Cb 0.38 1.00 0.04 0.00 -2.10 0.00 0.00 70.33 69.65 2cth n THR 98 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2cth s GLY 99 N -0.68 2.77 0.33 3.38 0.00 -0.92 -4.94 107.32 107.27 2cth s GLY 99 Ca 0.00 1.06 0.21 0.00 0.00 0.00 0.00 44.72 45.99 2cth s GLY 99 CO 0.00 1.47 1.40 0.00 0.00 0.00 0.00 173.10 175.97 2cth s LYS 101 N -3.19 0.48 -1.50 0.00 2.20 -1.26 -4.73 119.74 111.73 2cth s LYS 101 Ca 0.04 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 2cth s LYS 101 Cb 0.07 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.58 2cth s LYS 101 CO 0.72 -0.11 0.00 1.63 -0.36 0.00 0.00 175.35 177.23 2cth n LYS 102 N 1.43 -1.28 -3.94 4.03 4.01 -0.90 -4.98 118.16 116.51 2cth n LYS 102 Ca -0.23 0.87 -0.25 0.00 -0.51 0.00 0.00 58.31 58.19 2cth n LYS 102 Cb 0.56 -5.24 -0.03 0.00 -0.51 0.00 0.00 35.03 29.80 2cth n LYS 102 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 2cth s SER 103 N -2.39 4.62 0.20 4.39 1.04 -0.68 -4.75 113.70 116.12 2cth s SER 103 Ca 0.00 -1.13 0.24 0.00 0.48 0.00 0.00 55.95 55.53 2cth s SER 103 Cb 0.00 -0.01 0.91 0.00 0.10 0.00 0.00 66.02 67.02 2cth s SER 103 CO 0.00 -0.85 1.71 0.29 0.98 0.00 0.00 173.24 175.37 2cth n LYS 104 N -1.55 0.18 -0.09 4.02 5.02 -0.22 -3.42 118.16 122.10 2cth n LYS 104 Ca -0.02 0.32 -0.23 0.00 -2.02 0.00 0.00 58.31 56.36 2cth n LYS 104 Cb 0.64 -1.78 -0.12 0.00 -0.02 0.00 0.00 35.03 33.75 2cth n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cth s HIS 106 N -2.45 1.53 0.00 0.00 3.76 -1.22 -4.66 115.29 112.24 2cth s HIS 106 Ca -0.30 -0.47 0.00 0.00 -0.15 0.00 0.00 55.06 54.14 2cth s HIS 106 Cb 0.08 -1.06 0.00 0.00 1.11 0.00 0.00 32.58 32.71 2cth s HIS 106 CO 0.61 -0.18 0.00 0.39 -0.85 0.00 0.00 174.74 174.71