#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cvk n PRO 4 N 0.00 1.62 -3.12 1.97 -0.02 -1.26 -4.86 135.00 129.33 2cvk n PRO 4 Ca 0.00 0.59 -0.19 0.00 -2.02 0.00 0.00 63.50 61.88 2cvk n PRO 4 Cb 0.00 -2.30 0.01 0.00 -0.02 0.00 0.00 33.50 31.18 2cvk n PRO 4 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2cvk s ILE 5 N 1.61 3.41 -0.11 4.25 -4.36 -0.53 -4.92 121.20 120.54 2cvk s ILE 5 Ca 0.86 -0.92 -0.05 0.00 -0.26 0.00 0.00 60.65 60.28 2cvk s ILE 5 Cb -0.85 -3.18 -0.04 0.00 1.25 0.00 0.00 42.46 39.65 2cvk s ILE 5 CO 0.48 -0.08 0.08 -1.83 0.24 0.00 0.00 174.94 173.83 2cvk s GLU 6 N -4.36 3.29 0.15 0.37 -1.05 -1.26 -0.74 118.70 115.10 2cvk s GLU 6 Ca 0.51 -0.25 0.10 0.00 -0.15 0.00 0.00 54.97 55.17 2cvk s GLU 6 Cb -0.10 -3.03 -0.04 0.00 -0.44 0.00 0.00 34.13 30.52 2cvk s GLU 6 CO 0.33 0.71 -0.22 0.14 0.95 0.00 0.00 175.26 177.18 2cvk s VAL 7 N -0.87 2.02 0.28 1.83 -7.23 -0.59 -4.85 120.40 110.98 2cvk s VAL 7 Ca 0.14 -1.82 0.02 0.00 -1.81 0.00 0.00 61.98 58.50 2cvk s VAL 7 Cb -0.12 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 2cvk s VAL 7 CO 0.03 -0.12 0.11 0.42 -0.31 0.00 0.00 175.10 175.23 2cvk s THR 8 N -1.53 0.52 0.63 5.32 -4.23 -1.26 -4.46 115.64 110.62 2cvk s THR 8 Ca 0.14 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 58.98 2cvk s THR 8 Cb -0.08 -2.60 0.37 0.00 1.34 0.00 0.00 72.50 71.52 2cvk s THR 8 CO 0.07 0.00 2.11 -0.78 -0.54 0.00 0.00 174.62 175.48 2cvk h ASP 9 N 2.32 0.00 0.26 3.99 3.58 -1.91 0.27 116.42 124.92 2cvk h ASP 9 Ca -0.37 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 56.74 2cvk h ASP 9 Cb 1.25 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.33 2cvk h ASP 9 CO 0.59 0.00 -1.56 1.56 -2.88 0.00 0.00 179.24 176.95 2cvk h GLN 10 N 0.00 0.49 -0.12 0.28 7.50 -2.00 -3.37 115.11 117.89 2cvk h GLN 10 Ca 0.05 -0.83 0.00 0.00 0.50 0.00 0.00 58.65 58.37 2cvk h GLN 10 Cb 0.44 0.31 0.00 0.00 0.05 0.00 0.00 27.48 28.28 2cvk h GLN 10 CO -0.00 1.40 0.00 0.27 -1.50 0.00 0.00 178.83 179.00 2cvk n ASN 11 N -3.67 2.43 0.02 1.46 0.23 -0.91 -4.68 115.26 110.14 2cvk n ASN 11 Ca -0.19 -1.69 -0.15 0.00 -0.53 0.00 0.00 54.58 52.02 2cvk n ASN 11 Cb 1.10 -0.07 -0.09 0.00 -2.08 0.00 0.00 39.78 38.63 2cvk n ASN 11 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2cvk h PHE 12 N 2.78 -1.53 -0.74 -2.53 3.57 -0.65 0.70 116.94 118.55 2cvk h PHE 12 Ca 0.00 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2cvk h PHE 12 Cb 0.65 0.68 -0.04 0.00 2.79 0.00 0.00 35.95 40.03 2cvk h PHE 12 CO 0.07 -0.55 0.44 -0.44 -2.23 0.00 0.00 178.31 175.60 2cvk h ASP 13 N -0.61 0.89 -0.90 0.41 3.32 -1.84 -2.35 116.42 115.33 2cvk h ASP 13 Ca 0.03 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2cvk h ASP 13 Cb 0.69 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 2cvk h ASP 13 CO -0.40 0.69 0.52 -0.33 -1.72 0.00 0.00 179.24 178.01 2cvk h GLU 14 N 1.01 1.23 -0.26 3.56 5.08 -1.73 -2.01 114.58 121.45 2cvk h GLU 14 Ca 0.26 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 2cvk h GLU 14 Cb -0.03 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 2cvk h GLU 14 CO -0.05 0.88 0.06 1.15 -1.00 0.00 0.00 179.01 180.04 2cvk h THR 15 N 1.24 1.22 -0.08 1.13 2.02 -0.57 -2.93 112.91 114.94 2cvk h THR 15 Ca 0.32 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.74 2cvk h THR 15 Cb -0.02 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2cvk h THR 15 CO -0.06 0.24 -0.07 -0.07 0.37 0.00 0.00 175.52 175.92 2cvk h LEU 16 N 0.25 0.11 0.00 2.58 3.38 -1.18 -2.55 115.31 117.90 2cvk h LEU 16 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2cvk h LEU 16 Cb 0.30 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2cvk h LEU 16 CO 0.00 0.20 -0.12 0.61 0.09 0.00 0.00 178.44 179.23 2cvk n GLY 17 N -1.17 -1.57 0.01 0.83 0.00 -0.78 -3.33 105.19 99.18 2cvk n GLY 17 Ca -0.02 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.01 2cvk n GLY 17 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2cvk n GLN 18 N -1.95 0.36 -5.03 1.61 6.02 -0.97 -4.93 117.38 112.49 2cvk n GLN 18 Ca 0.06 -0.10 -0.29 0.00 -0.01 0.00 0.00 57.00 56.66 2cvk n GLN 18 Cb 0.40 -1.52 -0.16 0.00 1.02 0.00 0.00 30.24 29.97 2cvk n GLN 18 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2cvk s HIS 19 N -3.28 2.09 0.45 1.08 3.76 -1.15 -5.03 115.29 113.20 2cvk s HIS 19 Ca -0.00 -0.68 0.21 0.00 -0.15 0.00 0.00 55.06 54.44 2cvk s HIS 19 Cb 0.15 -1.40 1.26 0.00 1.11 0.00 0.00 32.58 33.70 2cvk s HIS 19 CO 0.88 -0.24 2.05 -1.00 -0.85 0.00 0.00 174.74 175.58 2cvk h PRO 20 N 6.34 0.00 -2.82 8.40 0.13 -1.92 -3.40 132.00 138.74 2cvk h PRO 20 Ca -0.30 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.52 2cvk h PRO 20 Cb 1.19 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.96 2cvk h PRO 20 CO 0.47 0.14 -0.63 -1.17 -0.23 0.00 0.00 178.00 176.59 2cvk s LEU 21 N -8.00 -0.08 -0.07 1.56 2.96 -1.26 0.02 118.68 113.82 2cvk s LEU 21 Ca -0.04 0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 2cvk s LEU 21 Cb 0.15 0.33 0.01 0.00 0.50 0.00 0.00 46.19 47.18 2cvk s LEU 21 CO 0.64 -0.29 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.57 2cvk s VAL 22 N 2.31 1.13 -0.32 1.68 1.01 0.32 -1.52 120.40 125.00 2cvk s VAL 22 Ca 0.04 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 2cvk s VAL 22 Cb -0.14 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 2cvk s VAL 22 CO -0.09 0.35 0.18 -0.22 0.00 0.00 0.00 175.10 175.33 2cvk s LEU 23 N 0.71 4.24 -0.23 3.92 2.96 0.21 -0.17 118.68 130.32 2cvk s LEU 23 Ca -0.14 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.25 2cvk s LEU 23 Cb -0.16 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 2cvk s LEU 23 CO 0.03 -0.20 0.03 -0.69 -1.32 0.00 0.00 176.35 174.20 2cvk s VAL 24 N 1.66 4.07 -0.35 1.68 1.01 -0.12 -0.14 120.40 128.21 2cvk s VAL 24 Ca 0.05 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.63 2cvk s VAL 24 Cb -0.17 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 2cvk s VAL 24 CO 0.08 0.38 0.32 -0.62 0.00 0.00 0.00 175.10 175.26 2cvk s ASP 25 N 1.36 6.14 -0.36 3.32 2.15 0.46 -1.15 116.67 128.58 2cvk s ASP 25 Ca 0.05 -0.33 -0.22 0.00 0.43 0.00 0.00 52.55 52.48 2cvk s ASP 25 Cb -0.15 -2.18 0.01 0.00 -0.30 0.00 0.00 42.92 40.30 2cvk s ASP 25 CO 0.02 -0.31 0.70 -0.36 -0.17 0.00 0.00 175.17 175.05 2cvk s PHE 26 N 1.91 3.13 0.25 -5.34 0.08 0.36 0.06 117.98 118.43 2cvk s PHE 26 Ca 0.10 0.43 0.01 0.00 0.12 0.00 0.00 56.93 57.58 2cvk s PHE 26 Cb -0.17 -3.27 -0.03 0.00 -0.57 0.00 0.00 43.02 38.98 2cvk s PHE 26 CO 0.11 -0.69 0.20 1.67 -0.10 0.00 0.00 175.22 176.41 2cvk s TRP 27 N 2.90 1.31 -0.07 0.36 1.48 -0.49 -2.75 118.94 121.67 2cvk s TRP 27 Ca 0.27 -1.44 -0.11 0.00 -1.06 0.00 0.00 56.10 53.77 2cvk s TRP 27 Cb -0.14 -0.57 0.02 0.00 -1.16 0.00 0.00 33.47 31.63 2cvk s TRP 27 CO 0.16 -0.74 0.27 0.00 -4.06 0.00 0.00 176.95 172.58 2cvk s ALA 28 N -3.91 -0.68 0.34 2.67 0.00 -1.26 -1.04 121.76 117.89 2cvk s ALA 28 Ca 0.39 0.57 0.31 0.00 0.00 0.00 0.00 51.96 53.22 2cvk s ALA 28 Cb 0.05 -0.26 1.48 0.00 0.00 0.00 0.00 23.12 24.39 2cvk s ALA 28 CO 0.17 -0.17 2.06 1.05 0.00 0.00 0.00 175.76 178.86 2cvk h GLU 29 N 5.07 0.00 -0.47 0.00 9.09 -2.01 -2.58 114.58 123.68 2cvk h GLU 29 Ca -0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.14 2cvk h GLU 29 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 2cvk h GLU 29 CO 0.36 0.09 0.00 -2.67 0.05 0.00 0.00 179.01 176.84 2cvk n TRP 30 N -3.40 0.55 -3.89 2.06 4.27 -1.26 -4.76 117.44 111.01 2cvk n TRP 30 Ca -0.01 -0.23 -0.35 0.00 -3.89 0.00 0.00 57.50 53.01 2cvk n TRP 30 Cb 0.26 -0.08 -0.13 0.00 -1.36 0.00 0.00 31.31 29.99 2cvk n TRP 30 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2cvk h ALA 32 N 7.99 0.42 -0.77 0.00 0.00 -1.87 -0.82 119.26 124.21 2cvk h ALA 32 Ca -0.19 0.13 0.19 0.00 0.00 0.00 0.00 54.91 55.04 2cvk h ALA 32 Cb 1.06 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 2cvk h ALA 32 CO 0.56 -0.38 0.53 -1.35 0.00 0.00 0.00 179.25 178.61 2cvk h PRO 33 N 0.12 0.22 -0.56 0.00 0.11 -1.94 -0.19 132.00 129.76 2cvk h PRO 33 Ca 0.22 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.23 2cvk h PRO 33 Cb 0.32 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 2cvk h PRO 33 CO -0.36 0.15 -0.02 0.00 -0.21 0.00 0.00 178.00 177.56 2cvk n ARG 35 N -4.23 0.07 0.00 0.00 1.74 -0.09 -2.09 116.66 112.05 2cvk n ARG 35 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2cvk n ARG 35 Cb 0.35 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 2cvk n ARG 35 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2cvk n ILE 37 N 1.08 0.00 -0.12 0.55 -5.35 -1.11 -4.31 119.36 110.11 2cvk n ILE 37 Ca 0.00 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.36 2cvk n ILE 37 Cb 0.03 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 37.86 2cvk n ILE 37 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2cvk h ALA 38 N 0.00 -0.61 0.00 -1.28 0.00 -1.72 0.32 119.26 115.97 2cvk h ALA 38 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2cvk h ALA 38 Cb 0.00 0.99 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2cvk h ALA 38 CO 0.00 -0.96 -0.20 -1.00 0.00 0.00 0.00 179.25 177.09 2cvk h PRO 39 N -0.38 0.00 -0.31 0.00 0.13 -1.89 -2.01 132.00 127.54 2cvk h PRO 39 Ca 0.10 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.18 2cvk h PRO 39 Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 2cvk h PRO 39 CO -0.57 0.20 -0.01 0.82 -0.23 0.00 0.00 178.00 178.22 2cvk h ILE 40 N 0.00 1.26 0.00 -3.56 5.03 -1.31 -2.10 117.51 116.83 2cvk h ILE 40 Ca -0.00 -0.96 -0.04 0.00 -0.12 0.00 0.00 64.86 63.74 2cvk h ILE 40 Cb 0.41 1.28 -0.01 0.00 -3.03 0.00 0.00 36.82 35.47 2cvk h ILE 40 CO 0.03 0.31 -0.17 -0.07 -0.68 0.00 0.00 178.15 177.57 2cvk h LEU 41 N 0.34 0.00 -0.41 1.44 3.38 0.02 -1.67 115.31 118.41 2cvk h LEU 41 Ca 0.09 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 2cvk h LEU 41 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2cvk h LEU 41 CO 0.02 0.17 -0.00 -0.33 0.09 0.00 0.00 178.44 178.38 2cvk h GLU 42 N 0.00 0.72 -0.27 1.13 5.08 -0.90 -0.23 114.58 120.12 2cvk h GLU 42 Ca -0.00 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 2cvk h GLU 42 Cb 0.31 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2cvk h GLU 42 CO 0.02 0.81 -0.18 0.93 -1.00 0.00 0.00 179.01 179.59 2cvk h GLU 43 N 0.55 0.48 -0.47 2.33 5.08 -0.78 -2.19 114.58 119.59 2cvk h GLU 43 Ca 0.12 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 2cvk h GLU 43 Cb 0.48 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2cvk h GLU 43 CO 0.02 0.65 0.10 0.82 -1.00 0.00 0.00 179.01 179.60 2cvk h ILE 44 N 0.43 1.24 -0.28 3.13 1.08 -1.04 -0.84 117.51 121.23 2cvk h ILE 44 Ca 0.07 -0.86 0.05 0.00 -0.39 0.00 0.00 64.86 63.73 2cvk h ILE 44 Cb 0.57 0.90 -0.04 0.00 -3.07 0.00 0.00 36.82 35.18 2cvk h ILE 44 CO 0.04 0.31 0.01 0.00 -0.69 0.00 0.00 178.15 177.82 2cvk h ALA 45 N 0.97 0.26 0.65 1.87 0.00 -0.48 -1.90 119.26 120.64 2cvk h ALA 45 Ca 0.15 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2cvk h ALA 45 Cb 0.35 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2cvk h ALA 45 CO 0.00 -0.40 -0.31 0.87 0.00 0.00 0.00 179.25 179.41 2cvk h LYS 46 N 0.10 -0.85 -0.95 0.00 1.79 -1.26 -1.77 116.57 113.63 2cvk h LYS 46 Ca 0.13 0.06 0.24 0.00 -2.18 0.00 0.00 60.65 58.90 2cvk h LYS 46 Cb 0.16 0.19 -0.13 0.00 -1.58 0.00 0.00 32.23 30.88 2cvk h LYS 46 CO -0.21 -0.53 0.50 1.49 -1.08 0.00 0.00 179.45 179.62 2cvk h GLU 47 N -1.02 0.46 -0.50 3.15 4.81 -1.04 -1.61 114.58 118.82 2cvk h GLU 47 Ca -0.09 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 58.94 2cvk h GLU 47 Cb 0.71 -0.10 -0.10 0.00 0.63 0.00 0.00 28.75 29.89 2cvk h GLU 47 CO 0.15 0.30 0.12 0.66 -0.73 0.00 0.00 179.01 179.50 2cvk n TYR 48 N -4.98 1.63 -1.73 0.92 4.01 -0.73 -5.03 117.16 111.26 2cvk n TYR 48 Ca 0.25 -1.29 -0.42 0.00 -0.16 0.00 0.00 57.90 56.28 2cvk n TYR 48 Cb 0.73 -0.54 -0.01 0.00 -0.31 0.00 0.00 39.34 39.21 2cvk n TYR 48 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2cvk n GLU 49 N -0.66 2.36 0.00 -0.72 0.28 -0.61 -1.05 120.64 120.24 2cvk n GLU 49 Ca 0.34 0.83 0.00 0.00 -0.16 0.00 0.00 57.16 58.18 2cvk n GLU 49 Cb 1.16 -2.49 0.00 0.00 1.43 0.00 0.00 31.44 31.54 2cvk n GLU 49 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2cvk n GLY 50 N 0.90 2.87 0.00 -1.84 0.00 -1.26 -4.69 105.19 101.17 2cvk n GLY 50 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2cvk n GLY 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cvk n LYS 51 N -2.00 0.25 -3.84 1.61 5.02 -0.59 -5.04 118.16 113.56 2cvk n LYS 51 Ca 0.00 -0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 2cvk n LYS 51 Cb 0.00 -1.02 -0.14 0.00 -0.02 0.00 0.00 35.03 33.85 2cvk n LYS 51 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2cvk s LEU 52 N -3.11 1.69 -0.20 -0.35 2.96 -0.21 -4.50 118.68 114.95 2cvk s LEU 52 Ca -0.00 0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 53.94 2cvk s LEU 52 Cb 0.00 0.13 -0.03 0.00 0.50 0.00 0.00 46.19 46.80 2cvk s LEU 52 CO 0.03 -0.03 0.01 -0.22 -1.32 0.00 0.00 176.35 174.82 2cvk s LEU 53 N 0.21 3.35 -0.24 -0.68 2.96 -0.58 -4.59 118.68 119.11 2cvk s LEU 53 Ca -0.02 -0.16 -0.10 0.00 -0.22 0.00 0.00 54.13 53.63 2cvk s LEU 53 Cb -0.02 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 2cvk s LEU 53 CO -0.01 0.07 0.15 -0.69 -1.32 0.00 0.00 176.35 174.56 2cvk s VAL 54 N 0.95 5.27 0.11 1.68 1.01 -1.26 -0.62 120.40 127.54 2cvk s VAL 54 Ca 0.02 0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.23 2cvk s VAL 54 Cb -0.14 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2cvk s VAL 54 CO 0.02 0.34 -0.21 0.00 0.00 0.00 0.00 175.10 175.25 2cvk s ALA 55 N 1.12 1.85 -0.11 5.51 0.00 0.80 -1.45 121.76 129.48 2cvk s ALA 55 Ca 0.07 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 50.78 2cvk s ALA 55 Cb -0.14 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.74 2cvk s ALA 55 CO 0.05 0.36 -0.20 0.15 0.00 0.00 0.00 175.76 176.12 2cvk s LYS 56 N -2.00 2.71 -0.31 0.00 1.02 0.08 -0.41 119.74 120.83 2cvk s LYS 56 Ca 0.08 -0.75 -0.02 0.00 0.02 0.00 0.00 55.97 55.30 2cvk s LYS 56 Cb -0.10 -2.16 0.05 0.00 -0.52 0.00 0.00 37.83 35.11 2cvk s LYS 56 CO 0.05 0.05 0.02 -1.17 -0.92 0.00 0.00 175.35 173.37 2cvk s LEU 57 N 0.68 4.01 -0.50 3.17 1.98 0.11 -1.53 118.68 126.60 2cvk s LEU 57 Ca -0.12 -1.32 -0.28 0.00 -2.89 0.00 0.00 54.13 49.52 2cvk s LEU 57 Cb -0.16 -1.73 0.02 0.00 0.66 0.00 0.00 46.19 44.98 2cvk s LEU 57 CO 0.02 -0.28 1.30 -0.62 -1.89 0.00 0.00 176.35 174.89 2cvk s ASP 58 N 1.29 6.37 0.57 3.68 -1.08 -1.26 -1.40 116.67 124.85 2cvk s ASP 58 Ca -0.04 0.46 0.26 0.00 -0.52 0.00 0.00 52.55 52.71 2cvk s ASP 58 Cb -0.20 -2.55 1.64 0.00 -1.46 0.00 0.00 42.92 40.36 2cvk s ASP 58 CO -0.01 -1.47 2.22 -0.37 0.52 0.00 0.00 175.17 176.05 2cvk h VAL 59 N 6.33 0.67 -0.05 1.11 -1.51 -1.37 -0.37 116.25 121.06 2cvk h VAL 59 Ca -0.26 -0.03 -0.16 0.00 -1.23 0.00 0.00 66.70 65.03 2cvk h VAL 59 Cb 1.08 1.02 -0.01 0.00 -2.13 0.00 0.00 31.29 31.25 2cvk h VAL 59 CO 1.14 0.01 -0.66 0.44 -1.23 0.00 0.00 177.57 177.27 2cvk h ASP 60 N 0.00 0.24 0.62 4.19 3.32 -1.91 -3.00 116.42 119.89 2cvk h ASP 60 Ca -0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2cvk h ASP 60 Cb 0.02 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2cvk h ASP 60 CO 0.00 0.84 -1.06 -1.84 -1.72 0.00 0.00 179.24 175.45 2cvk n GLU 61 N -3.82 0.43 -3.14 3.56 0.28 -0.77 -4.51 120.64 112.66 2cvk n GLU 61 Ca -0.02 0.03 -0.23 0.00 -0.16 0.00 0.00 57.16 56.77 2cvk n GLU 61 Cb 0.66 -1.67 -0.05 0.00 1.43 0.00 0.00 31.44 31.81 2cvk n GLU 61 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2cvk n ASN 62 N -2.24 2.36 0.18 -1.84 3.02 -0.22 -4.93 115.26 111.60 2cvk n ASN 62 Ca 0.01 -3.25 0.07 0.00 -0.03 0.00 0.00 54.58 51.38 2cvk n ASN 62 Cb 0.49 -0.61 0.57 0.00 -0.61 0.00 0.00 39.78 39.62 2cvk n ASN 62 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2cvk h PRO 63 N 3.33 0.16 0.00 3.52 0.13 -1.76 -2.58 132.00 134.81 2cvk h PRO 63 Ca 0.12 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 65.11 2cvk h PRO 63 Cb 0.76 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 2cvk h PRO 63 CO 0.65 0.11 -0.62 0.87 -0.23 0.00 0.00 178.00 178.78 2cvk h LYS 64 N 0.17 0.00 -0.22 0.86 1.57 -1.92 -3.08 116.57 113.95 2cvk h LYS 64 Ca 0.04 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.62 2cvk h LYS 64 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2cvk h LYS 64 CO -0.01 0.62 -0.65 1.15 -0.57 0.00 0.00 179.45 179.99 2cvk h THR 65 N 0.00 1.28 0.00 -0.16 2.02 -1.87 0.18 112.91 114.37 2cvk h THR 65 Ca -0.01 -1.85 0.00 0.00 0.77 0.00 0.00 66.41 65.32 2cvk h THR 65 Cb 1.10 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2cvk h THR 65 CO 0.08 0.59 0.00 0.00 0.37 0.00 0.00 175.52 176.56 2cvk n ALA 66 N -2.58 1.65 0.00 6.16 0.00 -1.10 -2.66 120.51 121.97 2cvk n ALA 66 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2cvk n ALA 66 Cb 0.68 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.13 2cvk n ALA 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2cvk n ARG 68 N 0.52 0.00 0.00 0.00 0.63 0.05 -0.24 116.66 117.63 2cvk n ARG 68 Ca 0.00 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.05 2cvk n ARG 68 Cb 0.12 -0.01 0.17 0.00 0.45 0.00 0.00 32.46 33.19 2cvk n ARG 68 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2cvk n TYR 69 N 0.00 0.00 -3.56 -0.14 4.01 -1.09 -4.97 117.16 111.41 2cvk n TYR 69 Ca 0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.53 2cvk n TYR 69 Cb 0.00 -0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.10 2cvk n TYR 69 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2cvk n ARG 70 N 1.04 -6.90 -3.10 -0.72 1.74 0.67 -5.18 116.66 104.22 2cvk n ARG 70 Ca 0.15 0.80 -0.35 0.00 -0.77 0.00 0.00 57.85 57.68 2cvk n ARG 70 Cb 0.55 -5.78 -0.06 0.00 -1.02 0.00 0.00 32.46 26.15 2cvk n ARG 70 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2cvk s VAL 71 N -3.37 4.60 0.00 1.55 1.01 -0.19 -5.15 120.40 118.84 2cvk s VAL 71 Ca 0.28 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.43 2cvk s VAL 71 Cb -0.13 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2cvk s VAL 71 CO 0.75 0.03 0.00 -1.54 0.00 0.00 0.00 175.10 174.34 2cvk n SER 73 N 0.23 0.00 -4.47 3.32 3.41 -1.26 -4.94 113.62 109.91 2cvk n SER 73 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.35 2cvk n SER 73 Cb 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 2cvk n SER 73 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2cvk s ILE 74 N 0.00 2.64 0.51 -1.33 -4.36 -1.26 -3.99 121.20 113.42 2cvk s ILE 74 Ca 0.00 -1.91 -0.18 0.00 -0.26 0.00 0.00 60.65 58.29 2cvk s ILE 74 Cb 0.00 -2.29 -0.07 0.00 1.25 0.00 0.00 42.46 41.35 2cvk s ILE 74 CO 0.00 -0.12 1.02 -2.16 0.24 0.00 0.00 174.94 173.92 2cvk s PRO 75 N -2.74 3.78 -0.03 0.37 0.04 -1.26 -4.85 135.00 130.31 2cvk s PRO 75 Ca 0.22 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.45 2cvk s PRO 75 Cb -0.08 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.38 2cvk s PRO 75 CO 0.12 -0.43 -0.00 0.99 0.04 0.00 0.00 177.00 177.72 2cvk s THR 76 N -2.29 0.18 -0.11 1.26 2.01 -1.11 -0.20 115.64 115.38 2cvk s THR 76 Ca 0.63 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.73 2cvk s THR 76 Cb -0.13 -0.27 -0.00 0.00 0.01 0.00 0.00 72.50 72.10 2cvk s THR 76 CO 0.26 0.14 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.44 2cvk s VAL 77 N 0.95 2.41 -0.10 3.82 1.01 0.23 -0.49 120.40 128.25 2cvk s VAL 77 Ca -0.10 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.03 2cvk s VAL 77 Cb -0.13 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.29 2cvk s VAL 77 CO -0.02 0.55 -0.22 -0.63 0.00 0.00 0.00 175.10 174.78 2cvk s ILE 78 N 0.39 1.90 -0.15 2.22 1.01 -0.30 -0.22 121.20 126.05 2cvk s ILE 78 Ca -0.15 -0.93 -0.13 0.00 0.00 0.00 0.00 60.65 59.44 2cvk s ILE 78 Cb -0.17 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 2cvk s ILE 78 CO 0.07 0.52 0.27 -0.22 0.00 0.00 0.00 174.94 175.59 2cvk s LEU 79 N 0.42 4.27 -0.08 2.97 2.96 0.15 -0.95 118.68 128.42 2cvk s LEU 79 Ca -0.18 0.51 0.03 0.00 -0.22 0.00 0.00 54.13 54.28 2cvk s LEU 79 Cb -0.18 -2.34 -0.01 0.00 0.50 0.00 0.00 46.19 44.16 2cvk s LEU 79 CO 0.08 0.15 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.71 2cvk s PHE 80 N 0.20 2.64 -0.14 5.38 0.08 0.76 -0.26 117.98 126.64 2cvk s PHE 80 Ca 0.16 -0.61 0.02 0.00 0.12 0.00 0.00 56.93 56.62 2cvk s PHE 80 Cb -0.13 -1.70 0.01 0.00 -0.57 0.00 0.00 43.02 40.63 2cvk s PHE 80 CO 0.04 -0.15 -0.19 0.21 -0.10 0.00 0.00 175.22 175.03 2cvk s LYS 81 N -0.06 2.70 -1.47 0.44 2.20 0.53 -0.52 119.74 123.56 2cvk s LYS 81 Ca -0.05 -0.73 -0.11 0.00 -0.36 0.00 0.00 55.97 54.73 2cvk s LYS 81 Cb -0.14 -2.25 0.06 0.00 -1.51 0.00 0.00 37.83 33.98 2cvk s LYS 81 CO 0.04 -0.08 0.84 -0.25 -0.36 0.00 0.00 175.35 175.55 2cvk n ASP 82 N 4.26 -5.10 0.00 1.43 8.00 0.10 -1.59 116.55 123.65 2cvk n ASP 82 Ca -0.19 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 54.73 2cvk n ASP 82 Cb 0.51 -4.09 0.00 0.00 -0.02 0.00 0.00 41.12 37.52 2cvk n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cvk n GLY 83 N -1.60 1.96 3.52 0.44 0.00 -1.21 -4.98 105.19 103.31 2cvk n GLY 83 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2cvk n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cvk s GLN 84 N -0.01 2.54 0.23 1.61 0.74 -0.62 -4.94 119.66 119.20 2cvk s GLN 84 Ca 0.00 -0.68 -0.30 0.00 0.05 0.00 0.00 55.36 54.43 2cvk s GLN 84 Cb 0.00 -2.44 -0.10 0.00 1.10 0.00 0.00 33.01 31.58 2cvk s GLN 84 CO 0.00 0.63 1.44 -1.25 -0.55 0.00 0.00 175.29 175.56 2cvk s PRO 85 N -0.89 4.27 0.00 1.67 0.04 -1.26 -0.35 135.00 138.49 2cvk s PRO 85 Ca 0.13 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.45 2cvk s PRO 85 Cb -0.11 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2cvk s PRO 85 CO 0.02 -0.43 0.00 1.33 0.04 0.00 0.00 177.00 177.96 2cvk n VAL 86 N 2.60 0.00 -3.80 -0.36 0.24 0.64 -4.88 118.33 112.77 2cvk n VAL 86 Ca 0.08 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.25 2cvk n VAL 86 Cb 0.40 0.17 -0.09 0.00 -1.47 0.00 0.00 33.84 32.86 2cvk n VAL 86 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2cvk s GLU 87 N -1.33 0.64 -0.01 7.34 0.41 -1.17 -5.00 118.70 119.58 2cvk s GLU 87 Ca 0.00 -0.34 0.01 0.00 -0.41 0.00 0.00 54.97 54.23 2cvk s GLU 87 Cb 0.00 0.28 0.01 0.00 -1.78 0.00 0.00 34.13 32.63 2cvk s GLU 87 CO 0.00 -0.18 -0.03 0.08 -0.49 0.00 0.00 175.26 174.65 2cvk s VAL 88 N -1.64 0.28 -0.16 2.63 1.01 -1.26 -0.68 120.40 120.59 2cvk s VAL 88 Ca -0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 2cvk s VAL 88 Cb -0.05 -0.29 0.04 0.00 0.00 0.00 0.00 36.38 36.08 2cvk s VAL 88 CO 0.02 0.12 -0.07 -0.76 0.00 0.00 0.00 175.10 174.40 2cvk s LEU 89 N 0.33 1.67 -0.20 3.92 1.02 0.69 -4.98 118.68 121.13 2cvk s LEU 89 Ca -0.03 -0.62 -0.11 0.00 0.02 0.00 0.00 54.13 53.38 2cvk s LEU 89 Cb -0.06 -0.99 -0.05 0.00 0.02 0.00 0.00 46.19 45.11 2cvk s LEU 89 CO -0.01 -0.15 0.17 -0.69 0.02 0.00 0.00 176.35 175.69 2cvk s VAL 90 N 1.59 5.38 0.00 -1.59 1.01 -1.26 -0.60 120.40 124.93 2cvk s VAL 90 Ca 0.02 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.25 2cvk s VAL 90 Cb -0.15 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2cvk s VAL 90 CO -0.08 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2cvk n GLY 91 N 3.62 0.00 3.70 4.51 0.00 0.72 -4.91 105.19 112.84 2cvk n GLY 91 Ca -0.15 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 2cvk n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cvk s ALA 92 N -2.86 3.59 0.08 4.61 0.00 -1.26 -4.85 121.76 121.06 2cvk s ALA 92 Ca 0.00 1.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 2cvk s ALA 92 Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 2cvk s ALA 92 CO 0.00 -0.77 0.01 -0.65 0.00 0.00 0.00 175.76 174.35 2cvk s GLN 93 N 1.75 0.71 0.62 0.00 -0.21 -1.26 -5.10 119.66 116.18 2cvk s GLN 93 Ca 0.65 -1.27 -0.19 0.00 0.02 0.00 0.00 55.36 54.58 2cvk s GLN 93 Cb -0.35 0.23 -0.02 0.00 1.00 0.00 0.00 33.01 33.87 2cvk s GLN 93 CO 0.29 -0.16 1.27 -2.14 -2.12 0.00 0.00 175.29 172.43 2cvk s PRO 94 N -3.95 2.76 0.45 2.91 0.02 -1.26 -4.90 135.00 131.03 2cvk s PRO 94 Ca 0.12 2.00 0.19 0.00 0.02 0.00 0.00 61.00 63.33 2cvk s PRO 94 Cb 0.08 -1.92 1.15 0.00 0.02 0.00 0.00 34.50 33.83 2cvk s PRO 94 CO -0.07 -1.42 1.93 -0.22 -0.33 0.00 0.00 177.00 176.89 2cvk h LYS 95 N 0.76 0.30 0.00 5.54 3.64 -2.01 -1.74 116.57 123.07 2cvk h LYS 95 Ca -0.51 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.85 2cvk h LYS 95 Cb 1.32 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2cvk h LYS 95 CO 0.54 0.20 -0.00 0.07 -2.27 0.00 0.00 179.45 177.99 2cvk h ARG 96 N 0.31 0.00 -0.51 1.90 0.11 -1.99 -1.35 114.38 112.85 2cvk h ARG 96 Ca 0.36 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.31 2cvk h ARG 96 Cb 0.95 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.02 2cvk h ARG 96 CO -0.09 0.00 -0.18 -0.91 0.10 0.00 0.00 179.97 178.89 2cvk h ASN 97 N 0.00 1.03 -0.18 0.08 2.35 -1.67 -1.88 115.58 115.30 2cvk h ASN 97 Ca -0.00 -0.37 -0.07 0.00 -0.55 0.00 0.00 56.30 55.30 2cvk h ASN 97 Cb 0.00 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.09 2cvk h ASN 97 CO 0.00 1.17 -0.18 1.88 -1.65 0.00 0.00 177.43 178.66 2cvk h TYR 98 N 0.88 0.53 -0.62 1.19 0.05 -1.51 -2.94 116.97 114.56 2cvk h TYR 98 Ca 0.12 -0.16 0.10 0.00 0.05 0.00 0.00 58.73 58.84 2cvk h TYR 98 Cb 0.76 -0.11 -0.07 0.00 1.01 0.00 0.00 36.73 38.31 2cvk h TYR 98 CO 0.05 0.81 0.22 1.96 -1.05 0.00 0.00 178.16 180.15 2cvk h GLN 99 N 0.11 0.39 -0.68 4.88 4.20 -1.19 -0.39 115.11 122.42 2cvk h GLN 99 Ca 0.03 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.72 2cvk h GLN 99 Cb 0.71 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 2cvk h GLN 99 CO 0.04 0.26 0.45 0.00 -0.67 0.00 0.00 178.83 178.91 2cvk h ALA 100 N 1.43 0.86 0.00 3.87 0.00 -1.31 -0.08 119.26 124.04 2cvk h ALA 100 Ca 0.31 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2cvk h ALA 100 Cb 0.40 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2cvk h ALA 100 CO -0.32 0.29 -0.43 0.87 0.00 0.00 0.00 179.25 179.66 2cvk h LYS 101 N 0.92 0.00 -0.00 0.00 1.57 -1.24 -2.63 116.57 115.20 2cvk h LYS 101 Ca 0.25 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2cvk h LYS 101 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2cvk h LYS 101 CO -0.05 0.43 -0.00 0.82 -0.57 0.00 0.00 179.45 180.07 2cvk h ILE 102 N 0.00 1.57 0.00 1.86 2.04 -0.75 -3.23 117.51 119.00 2cvk h ILE 102 Ca -0.00 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.16 2cvk h ILE 102 Cb 1.18 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.98 2cvk h ILE 102 CO 0.06 0.44 0.00 -0.33 0.00 0.00 0.00 178.15 178.32 2cvk h GLU 103 N -0.72 0.00 0.00 2.37 5.08 -1.07 -1.78 114.58 118.46 2cvk h GLU 103 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2cvk h GLU 103 Cb 0.72 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2cvk h GLU 103 CO 0.00 0.00 -0.25 -0.22 -1.00 0.00 0.00 179.01 177.54 2cvk h LYS 104 N 0.00 0.00 -0.17 2.33 3.64 -1.48 -3.07 116.57 117.82 2cvk h LYS 104 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2cvk h LYS 104 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2cvk h LYS 104 CO 0.00 0.25 0.00 0.72 -2.27 0.00 0.00 179.45 178.15 2cvk n HIS 105 N -3.54 0.22 -3.52 1.91 8.25 -0.69 -4.99 115.22 112.87 2cvk n HIS 105 Ca -0.01 -0.29 -0.38 0.00 -0.26 0.00 0.00 57.72 56.79 2cvk n HIS 105 Cb 0.40 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.43 2cvk n HIS 105 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2cvk s LEU 106 N -0.90 4.41 0.00 2.41 1.43 -1.11 -5.10 118.68 119.82 2cvk s LEU 106 Ca 0.16 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 2cvk s LEU 106 Cb 0.09 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.79 2cvk s LEU 106 CO 0.12 0.26 0.00 -2.65 0.23 0.00 0.00 176.35 174.32