#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5f s PRO 2 N 0.00 3.87 0.00 0.00 0.04 -1.26 -4.98 135.00 132.67 1s5f s PRO 2 Ca 0.00 1.48 0.15 0.00 0.04 0.00 0.00 61.00 62.67 1s5f s PRO 2 Cb 0.00 -2.26 0.09 0.00 0.04 0.00 0.00 34.50 32.37 1s5f s PRO 2 CO 0.00 -0.40 0.92 1.04 0.04 0.00 0.00 177.00 178.61 1s5f n GLN 3 N -0.66 1.24 -3.82 4.56 6.02 -1.26 -4.96 117.38 118.50 1s5f n GLN 3 Ca 0.08 -1.23 -0.09 0.00 -0.01 0.00 0.00 57.00 55.75 1s5f n GLN 3 Cb 0.51 -1.27 -0.05 0.00 1.02 0.00 0.00 30.24 30.46 1s5f n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1s5f s ASN 4 N -1.35 -0.17 0.33 1.08 4.22 -1.26 -5.07 114.94 112.72 1s5f s ASN 4 Ca 0.16 -0.62 0.05 0.00 -2.14 0.00 0.00 52.86 50.31 1s5f s ASN 4 Cb 0.12 0.55 0.60 0.00 1.28 0.00 0.00 41.25 43.80 1s5f s ASN 4 CO 0.23 -1.03 1.85 -0.29 -2.04 0.00 0.00 177.10 175.82 1s5f h ILE 5 N 2.28 1.21 -0.49 0.54 2.10 -1.96 -2.23 117.51 118.96 1s5f h ILE 5 Ca -0.29 -0.86 -0.07 0.00 1.08 0.00 0.00 64.86 64.72 1s5f h ILE 5 Cb 1.25 1.05 -0.02 0.00 -1.09 0.00 0.00 36.82 38.01 1s5f h ILE 5 CO 0.39 0.29 0.04 0.74 -1.08 0.00 0.00 178.15 178.53 1s5f h THR 6 N 0.45 1.26 -0.10 2.19 2.02 -1.99 -1.83 112.91 114.90 1s5f h THR 6 Ca 0.09 -1.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.11 1s5f h THR 6 Cb 0.39 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1s5f h THR 6 CO 0.02 0.35 -0.62 0.44 0.37 0.00 0.00 175.52 176.08 1s5f h ASP 7 N 0.70 0.42 0.50 4.18 5.19 -1.95 -2.75 116.42 122.71 1s5f h ASP 7 Ca 0.14 -0.25 -0.08 0.00 -0.62 0.00 0.00 57.03 56.23 1s5f h ASP 7 Cb 0.46 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 1s5f h ASP 7 CO 0.02 0.94 -0.37 0.25 -3.12 0.00 0.00 179.24 176.95 1s5f h LEU 8 N 0.27 0.00 -0.64 1.55 6.46 -1.33 -2.69 115.31 118.93 1s5f h LEU 8 Ca -0.01 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.61 1s5f h LEU 8 Cb 1.15 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.07 1s5f h LEU 8 CO 0.10 0.37 -0.54 0.00 -0.62 0.00 0.00 178.44 177.76 1s5f n ALA 10 N -2.49 1.56 0.49 0.00 0.00 -1.02 -2.68 120.51 116.37 1s5f n ALA 10 Ca -0.02 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.59 1s5f n ALA 10 Cb 0.58 -1.31 0.31 0.00 0.00 0.00 0.00 19.45 19.03 1s5f n ALA 10 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1s5f h GLU 11 N 0.00 0.00 -6.77 0.00 5.08 -1.58 -3.47 114.58 107.85 1s5f h GLU 11 Ca 0.00 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.67 1s5f h GLU 11 Cb 0.27 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.30 1s5f h GLU 11 CO 0.00 0.00 -0.84 0.71 -1.00 0.00 0.00 179.01 177.88 1s5f s TYR 12 N -3.14 2.41 0.45 4.33 1.51 -1.09 -5.13 117.35 116.69 1s5f s TYR 12 Ca 0.09 -0.33 -0.21 0.00 -1.01 0.00 0.00 57.07 55.61 1s5f s TYR 12 Cb 0.10 -1.34 -0.10 0.00 -0.11 0.00 0.00 41.96 40.51 1s5f s TYR 12 CO 0.63 0.29 0.97 -1.01 -1.11 0.00 0.00 175.55 175.32 1s5f s HIS 13 N -1.00 3.24 -1.02 2.71 3.76 -1.26 -4.24 115.29 117.49 1s5f s HIS 13 Ca 0.15 1.59 -0.03 0.00 -0.15 0.00 0.00 55.06 56.62 1s5f s HIS 13 Cb -0.10 -2.90 0.00 0.00 1.11 0.00 0.00 32.58 30.69 1s5f s HIS 13 CO 0.06 -0.29 0.87 0.09 -0.85 0.00 0.00 174.74 174.61 1s5f n ASN 14 N -0.78 -3.64 -4.22 1.40 3.02 -1.26 -4.98 115.26 104.80 1s5f n ASN 14 Ca 0.07 -0.46 -0.17 0.00 -0.03 0.00 0.00 54.58 53.99 1s5f n ASN 14 Cb 0.54 -4.16 -0.11 0.00 -0.61 0.00 0.00 39.78 35.44 1s5f n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1s5f s THR 15 N -3.27 1.21 -0.03 3.41 -4.23 -1.26 -1.77 115.64 109.70 1s5f s THR 15 Ca 0.22 -1.70 -0.17 0.00 -1.18 0.00 0.00 61.69 58.86 1s5f s THR 15 Cb -0.10 -1.49 0.03 0.00 1.34 0.00 0.00 72.50 72.29 1s5f s THR 15 CO 0.58 -0.47 0.36 0.00 -0.54 0.00 0.00 174.62 174.56 1s5f s GLN 16 N -2.73 0.70 0.06 3.99 -2.07 -0.96 -4.86 119.66 113.79 1s5f s GLN 16 Ca 0.08 -0.08 -0.25 0.00 -1.82 0.00 0.00 55.36 53.29 1s5f s GLN 16 Cb -0.04 0.32 -0.06 0.00 -1.09 0.00 0.00 33.01 32.14 1s5f s GLN 16 CO 0.02 -0.19 0.78 0.42 -1.32 0.00 0.00 175.29 175.00 1s5f s ILE 17 N -1.20 4.68 -0.15 3.63 -1.09 -1.26 -2.36 121.20 123.45 1s5f s ILE 17 Ca -0.12 1.66 -0.02 0.00 -2.23 0.00 0.00 60.65 59.94 1s5f s ILE 17 Cb -0.04 -4.13 -0.02 0.00 -1.58 0.00 0.00 42.46 36.69 1s5f s ILE 17 CO 0.05 0.38 -0.09 -1.00 -1.23 0.00 0.00 174.94 173.05 1s5f s HIS 18 N -0.18 2.89 -0.37 3.97 3.76 -0.72 -4.99 115.29 119.65 1s5f s HIS 18 Ca 0.39 -0.61 -0.10 0.00 -0.15 0.00 0.00 55.06 54.59 1s5f s HIS 18 Cb -0.21 -1.92 0.03 0.00 1.11 0.00 0.00 32.58 31.59 1s5f s HIS 18 CO 0.24 -0.22 0.19 0.99 -0.85 0.00 0.00 174.74 175.09 1s5f s THR 19 N 0.55 4.46 -0.27 1.30 2.01 -1.26 -1.89 115.64 120.54 1s5f s THR 19 Ca -0.06 -0.91 -0.08 0.00 0.31 0.00 0.00 61.69 60.95 1s5f s THR 19 Cb -0.15 -3.50 -0.14 0.00 0.01 0.00 0.00 72.50 68.71 1s5f s THR 19 CO 0.03 -0.24 -0.28 0.18 -0.69 0.00 0.00 174.62 173.63 1s5f n LEU 20 N 4.97 2.35 -4.19 4.42 7.99 -0.82 -5.02 117.00 126.70 1s5f n LEU 20 Ca -0.12 0.16 -0.33 0.00 -0.01 0.00 0.00 56.01 55.72 1s5f n LEU 20 Cb 0.46 -0.86 -0.06 0.00 -0.11 0.00 0.00 43.42 42.85 1s5f n LEU 20 CO 0.36 0.71 -0.36 0.59 -1.51 0.00 0.00 177.39 177.17 1s5f n ASN 21 N -3.88 -0.43 -3.61 -1.43 5.03 -0.76 -4.96 115.26 105.23 1s5f n ASN 21 Ca -0.51 -1.23 -0.16 0.00 0.87 0.00 0.00 54.58 53.56 1s5f n ASN 21 Cb 0.92 -1.93 -0.07 0.00 -1.02 0.00 0.00 39.78 37.68 1s5f n ASN 21 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1s5f s ASP 22 N -4.20 -0.57 0.65 6.41 2.15 -0.99 -4.89 116.67 115.25 1s5f s ASP 22 Ca 0.11 0.77 -0.14 0.00 0.43 0.00 0.00 52.55 53.72 1s5f s ASP 22 Cb -0.06 0.73 -0.00 0.00 -0.30 0.00 0.00 42.92 43.28 1s5f s ASP 22 CO 0.97 -0.46 1.08 -1.59 -0.17 0.00 0.00 175.17 175.01 1s5f s LYS 23 N -0.74 2.93 0.08 4.34 -2.85 -1.26 -2.39 119.74 119.85 1s5f s LYS 23 Ca -0.08 1.25 -0.31 0.00 -1.00 0.00 0.00 55.97 55.83 1s5f s LYS 23 Cb -0.02 -1.98 -0.08 0.00 -2.06 0.00 0.00 37.83 33.69 1s5f s LYS 23 CO 0.06 -1.13 1.47 0.42 0.10 0.00 0.00 175.35 176.27 1s5f s ILE 24 N -2.53 3.29 0.16 3.79 1.01 -1.26 -4.67 121.20 120.98 1s5f s ILE 24 Ca 0.64 0.83 -0.03 0.00 0.00 0.00 0.00 60.65 62.09 1s5f s ILE 24 Cb -0.18 -3.54 -0.12 0.00 0.01 0.00 0.00 42.46 38.64 1s5f s ILE 24 CO 0.43 0.03 1.40 0.15 0.00 0.00 0.00 174.94 176.96 1s5f h PHE 25 N 7.40 0.63 -2.68 3.97 3.57 -1.27 -3.47 116.94 125.08 1s5f h PHE 25 Ca -0.41 -0.28 -0.07 0.00 3.53 0.00 0.00 57.97 60.74 1s5f h PHE 25 Cb 1.20 -0.09 -0.17 0.00 2.79 0.00 0.00 35.95 39.67 1s5f h PHE 25 CO 0.71 1.06 0.01 -1.54 -2.23 0.00 0.00 178.31 176.32 1s5f s SER 26 N -7.00 -0.43 -0.14 0.41 1.04 -1.16 -4.96 113.70 101.45 1s5f s SER 26 Ca -0.06 0.25 -0.01 0.00 0.48 0.00 0.00 55.95 56.61 1s5f s SER 26 Cb 0.10 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.73 1s5f s SER 26 CO 0.85 -0.66 -0.05 -0.47 0.98 0.00 0.00 173.24 173.89 1s5f s TYR 27 N -2.06 1.53 0.10 5.02 5.04 -1.26 -2.23 117.35 123.49 1s5f s TYR 27 Ca -0.07 -0.89 0.05 0.00 -2.44 0.00 0.00 57.07 53.71 1s5f s TYR 27 Cb -0.01 -1.24 -0.04 0.00 0.35 0.00 0.00 41.96 41.02 1s5f s TYR 27 CO 0.01 -0.56 0.02 0.99 -1.34 0.00 0.00 175.55 174.67 1s5f s THR 28 N 1.69 4.13 -0.16 4.34 2.01 0.40 -4.98 115.64 123.07 1s5f s THR 28 Ca 0.02 -0.97 -0.12 0.00 0.31 0.00 0.00 61.69 60.94 1s5f s THR 28 Cb -0.14 -2.98 0.05 0.00 0.01 0.00 0.00 72.50 69.43 1s5f s THR 28 CO -0.08 0.10 0.40 -0.70 -0.69 0.00 0.00 174.62 173.65 1s5f s GLU 29 N -2.40 0.42 -0.04 4.92 2.12 -1.26 -1.48 118.70 120.98 1s5f s GLU 29 Ca 0.27 0.65 0.00 0.00 0.36 0.00 0.00 54.97 56.25 1s5f s GLU 29 Cb -0.12 0.11 0.03 0.00 0.26 0.00 0.00 34.13 34.41 1s5f s GLU 29 CO 0.19 -0.10 -0.01 0.45 -0.54 0.00 0.00 175.26 175.25 1s5f s SER 30 N 0.76 0.80 0.00 -1.70 0.15 -0.76 -4.99 113.70 107.96 1s5f s SER 30 Ca -0.04 -0.06 0.20 0.00 0.70 0.00 0.00 55.95 56.75 1s5f s SER 30 Cb -0.05 -0.32 0.53 0.00 -1.71 0.00 0.00 66.02 64.47 1s5f s SER 30 CO -0.05 -0.11 1.45 0.00 1.20 0.00 0.00 173.24 175.72 1s5f n LEU 31 N 4.34 3.09 -4.76 3.45 -0.00 -1.26 -2.79 117.00 119.07 1s5f n LEU 31 Ca -0.22 -1.46 -0.38 0.00 -0.00 0.00 0.00 56.01 53.96 1s5f n LEU 31 Cb 0.50 -0.32 0.02 0.00 -0.00 0.00 0.00 43.42 43.62 1s5f n LEU 31 CO 0.20 0.73 0.90 0.00 -0.00 0.00 0.00 177.39 179.22 1s5f s ALA 32 N -1.36 2.88 0.00 1.47 0.00 -1.26 -4.83 121.76 118.66 1s5f s ALA 32 Ca 0.39 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1s5f s ALA 32 Cb 0.21 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1s5f s ALA 32 CO 0.29 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.45 1s5f n GLY 33 N 0.57 0.00 1.53 0.00 0.00 -1.26 -1.55 105.19 104.49 1s5f n GLY 33 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.18 1s5f n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s5f n LYS 34 N 0.00 3.80 -2.67 1.61 4.76 -1.26 -4.51 118.16 119.89 1s5f n LYS 34 Ca 0.00 -2.54 -0.28 0.00 -2.87 0.00 0.00 58.31 52.62 1s5f n LYS 34 Cb 0.00 -1.97 -0.02 0.00 -1.84 0.00 0.00 35.03 31.20 1s5f n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1s5f n ARG 35 N 0.74 3.42 -2.77 1.97 5.12 -0.59 -4.96 116.66 119.58 1s5f n ARG 35 Ca 0.23 -4.63 -0.43 0.00 -1.93 0.00 0.00 57.85 51.09 1s5f n ARG 35 Cb 0.91 -2.26 -0.02 0.00 -1.16 0.00 0.00 32.46 29.93 1s5f n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1s5f s GLU 36 N -3.58 3.77 0.34 5.56 8.01 -1.24 -4.21 118.70 127.34 1s5f s GLU 36 Ca 0.48 -1.80 -0.06 0.00 0.01 0.00 0.00 54.97 53.60 1s5f s GLU 36 Cb 0.34 -5.17 0.01 0.00 -4.31 0.00 0.00 34.13 25.00 1s5f s GLU 36 CO -0.18 -1.97 0.53 0.00 0.01 0.00 0.00 175.26 173.65 1s5f s MET 37 N 3.33 1.91 -0.00 1.61 0.23 -1.12 -4.29 119.30 120.97 1s5f s MET 37 Ca 0.42 -1.62 0.02 0.00 -1.03 0.00 0.00 55.69 53.48 1s5f s MET 37 Cb -0.02 0.48 -0.01 0.00 -1.53 0.00 0.00 34.83 33.76 1s5f s MET 37 CO -0.05 -0.81 -0.06 0.00 -2.03 0.00 0.00 175.02 172.07 1s5f s ALA 38 N -3.07 0.49 0.02 3.16 0.00 -1.21 -1.82 121.76 119.33 1s5f s ALA 38 Ca 0.27 -0.28 0.08 0.00 0.00 0.00 0.00 51.96 52.03 1s5f s ALA 38 Cb -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1s5f s ALA 38 CO 0.17 0.11 -0.25 0.42 0.00 0.00 0.00 175.76 176.21 1s5f s ILE 39 N -0.21 2.18 0.03 0.00 1.01 -0.55 -0.95 121.20 122.72 1s5f s ILE 39 Ca 0.02 -1.25 0.04 0.00 0.00 0.00 0.00 60.65 59.46 1s5f s ILE 39 Cb -0.03 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 1s5f s ILE 39 CO -0.00 0.45 -0.13 0.27 0.00 0.00 0.00 174.94 175.53 1s5f s ILE 40 N -0.74 1.02 0.39 2.92 -4.36 0.06 -0.45 121.20 120.04 1s5f s ILE 40 Ca 0.11 -0.89 0.07 0.00 -0.26 0.00 0.00 60.65 59.67 1s5f s ILE 40 Cb -0.10 -0.92 -0.08 0.00 1.25 0.00 0.00 42.46 42.61 1s5f s ILE 40 CO 0.01 0.03 0.01 0.42 0.24 0.00 0.00 174.94 175.65 1s5f s THR 41 N -0.76 1.88 0.40 8.37 -4.23 -0.95 -1.40 115.64 118.95 1s5f s THR 41 Ca 0.01 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.54 1s5f s THR 41 Cb -0.07 -2.94 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 1s5f s THR 41 CO 0.01 -0.02 0.07 -0.36 -0.54 0.00 0.00 174.62 173.78 1s5f s PHE 42 N -2.80 1.93 0.40 3.99 0.40 -0.81 -0.82 117.98 120.28 1s5f s PHE 42 Ca 0.35 -1.05 0.09 0.00 -0.60 0.00 0.00 56.93 55.72 1s5f s PHE 42 Cb 0.09 -1.35 0.85 0.00 0.51 0.00 0.00 43.02 43.12 1s5f s PHE 42 CO 0.17 -0.02 1.97 1.57 0.70 0.00 0.00 175.22 179.62 1s5f h LYS 43 N 1.81 0.30 0.00 0.44 5.09 -1.91 -2.26 116.57 120.04 1s5f h LYS 43 Ca -0.40 -0.05 0.00 0.00 0.09 0.00 0.00 60.65 60.29 1s5f h LYS 43 Cb 1.27 -0.05 0.00 0.00 0.10 0.00 0.00 32.23 33.55 1s5f h LYS 43 CO 0.67 0.34 0.00 0.27 -2.09 0.00 0.00 179.45 178.64 1s5f n ASN 44 N -4.35 0.00 0.00 7.07 6.94 -1.26 -4.88 115.26 118.78 1s5f n ASN 44 Ca 0.00 -0.84 0.00 0.00 -0.02 0.00 0.00 54.58 53.72 1s5f n ASN 44 Cb 0.20 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 1s5f n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1s5f n GLY 45 N 0.37 2.57 3.71 4.83 0.00 -0.85 -5.04 105.19 110.80 1s5f n GLY 45 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1s5f n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5f n ALA 46 N -1.35 2.19 -2.44 4.61 0.00 -1.26 -4.73 120.51 117.52 1s5f n ALA 46 Ca 0.00 0.40 -0.27 0.00 0.00 0.00 0.00 53.44 53.57 1s5f n ALA 46 Cb 0.00 -2.43 -0.14 0.00 0.00 0.00 0.00 19.45 16.88 1s5f n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1s5f s THR 47 N 0.38 1.75 -0.09 0.00 2.01 -1.26 -1.93 115.64 116.50 1s5f s THR 47 Ca 0.69 -1.18 -0.11 0.00 0.31 0.00 0.00 61.69 61.40 1s5f s THR 47 Cb -0.55 -1.51 0.03 0.00 0.01 0.00 0.00 72.50 70.48 1s5f s THR 47 CO 0.44 0.28 0.29 -0.36 -0.69 0.00 0.00 174.62 174.58 1s5f s PHE 48 N -0.75 -0.29 0.17 4.92 0.08 -0.49 -4.09 117.98 117.53 1s5f s PHE 48 Ca 0.08 0.68 0.08 0.00 0.12 0.00 0.00 56.93 57.89 1s5f s PHE 48 Cb -0.09 0.10 -0.04 0.00 -0.57 0.00 0.00 43.02 42.42 1s5f s PHE 48 CO 0.01 -0.19 -0.03 1.14 -0.10 0.00 0.00 175.22 176.05 1s5f s GLN 49 N -0.11 2.30 -0.25 0.44 -2.07 -0.86 -0.76 119.66 118.34 1s5f s GLN 49 Ca -0.02 -1.14 -0.10 0.00 -1.82 0.00 0.00 55.36 52.28 1s5f s GLN 49 Cb -0.03 -2.30 -0.05 0.00 -1.09 0.00 0.00 33.01 29.54 1s5f s GLN 49 CO 0.01 0.45 0.15 0.08 -1.32 0.00 0.00 175.29 174.66 1s5f s VAL 50 N -1.68 5.12 0.63 3.63 1.01 -0.12 -0.88 120.40 128.10 1s5f s VAL 50 Ca 0.26 0.10 -0.17 0.00 0.00 0.00 0.00 61.98 62.18 1s5f s VAL 50 Cb -0.09 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1s5f s VAL 50 CO 0.17 0.32 1.15 -1.61 0.00 0.00 0.00 175.10 175.13 1s5f s GLU 51 N 1.37 2.84 0.20 2.72 2.02 -1.26 -3.34 118.70 123.25 1s5f s GLU 51 Ca 0.07 1.60 -0.32 0.00 0.02 0.00 0.00 54.97 56.34 1s5f s GLU 51 Cb -0.15 -1.94 -0.11 0.00 0.10 0.00 0.00 34.13 32.03 1s5f s GLU 51 CO 0.07 -1.26 1.65 0.08 0.02 0.00 0.00 175.26 175.82 1s5f s VAL 52 N -1.99 2.26 0.11 2.63 1.01 -1.26 -4.85 120.40 118.31 1s5f s VAL 52 Ca 0.72 0.19 -0.33 0.00 0.00 0.00 0.00 61.98 62.56 1s5f s VAL 52 Cb -0.25 -3.12 -0.12 0.00 0.00 0.00 0.00 36.38 32.89 1s5f s VAL 52 CO 0.37 0.02 1.75 -2.65 0.00 0.00 0.00 175.10 174.59 1s5f n PRO 53 N 3.85 2.51 -0.75 2.72 -0.02 -1.26 -4.91 135.00 137.13 1s5f n PRO 53 Ca 0.15 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1s5f n PRO 53 Cb 0.37 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 1s5f n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s5f n GLY 54 N 3.98 3.16 0.03 -1.23 0.00 -1.26 -5.05 105.19 104.82 1s5f n GLY 54 Ca 0.18 -1.12 0.13 0.00 0.00 0.00 0.00 46.02 45.21 1s5f n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s5f n SER 55 N -0.94 0.24 0.00 1.61 3.41 -1.26 -2.17 113.62 114.51 1s5f n SER 55 Ca 0.00 0.53 0.11 0.00 -0.26 0.00 0.00 58.87 59.24 1s5f n SER 55 Cb 0.00 -0.59 0.53 0.00 -0.26 0.00 0.00 64.21 63.89 1s5f n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s5f n GLN 56 N -1.73 0.22 -4.88 4.33 0.00 -1.26 -4.84 117.38 109.22 1s5f n GLN 56 Ca 0.06 0.09 -0.33 0.00 0.00 0.00 0.00 57.00 56.83 1s5f n GLN 56 Cb 0.35 -1.50 -0.15 0.00 0.00 0.00 0.00 30.24 28.94 1s5f n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1s5f s HIS 57 N -2.71 2.75 0.91 2.61 3.76 -0.92 -5.13 115.29 116.56 1s5f s HIS 57 Ca 0.18 -0.69 -0.12 0.00 -0.15 0.00 0.00 55.06 54.27 1s5f s HIS 57 Cb 0.15 -1.80 0.13 0.00 1.11 0.00 0.00 32.58 32.17 1s5f s HIS 57 CO 0.36 -0.23 1.13 0.96 -0.85 0.00 0.00 174.74 176.11 1s5f s ILE 58 N 0.27 2.12 0.30 0.60 -4.36 -1.26 -4.88 121.20 113.99 1s5f s ILE 58 Ca -0.11 0.04 0.13 0.00 -0.26 0.00 0.00 60.65 60.44 1s5f s ILE 58 Cb -0.16 -2.77 0.05 0.00 1.25 0.00 0.00 42.46 40.83 1s5f s ILE 58 CO 0.06 -0.05 1.72 0.44 0.24 0.00 0.00 174.94 177.35 1s5f h ASP 59 N -1.49 0.00 0.77 4.36 5.19 -2.00 -2.56 116.42 120.70 1s5f h ASP 59 Ca -0.50 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.88 1s5f h ASP 59 Cb 1.33 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.83 1s5f h ASP 59 CO 0.61 0.48 -0.10 0.77 -3.12 0.00 0.00 179.24 177.89 1s5f h SER 60 N 0.00 0.00 1.16 6.45 4.64 -2.05 -2.76 113.55 120.99 1s5f h SER 60 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1s5f h SER 60 Cb 0.88 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 1s5f h SER 60 CO 0.06 0.10 -0.18 1.56 -0.87 0.00 0.00 176.83 177.50 1s5f h GLN 61 N 0.00 0.00 -0.35 4.77 4.20 -1.83 -3.36 115.11 118.55 1s5f h GLN 61 Ca -0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 1s5f h GLN 61 Cb 0.51 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.21 1s5f h GLN 61 CO 0.01 0.18 -0.22 0.87 -0.67 0.00 0.00 178.83 179.00 1s5f h LYS 62 N 0.00 -0.17 -0.37 1.46 1.57 -1.56 -1.83 116.57 115.67 1s5f h LYS 62 Ca -0.00 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1s5f h LYS 62 Cb 0.81 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1s5f h LYS 62 CO 0.02 -0.11 -0.18 -0.22 -0.57 0.00 0.00 179.45 178.39 1s5f h LYS 63 N -0.18 0.69 0.00 3.15 3.64 -1.78 -3.15 116.57 118.95 1s5f h LYS 63 Ca 0.17 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1s5f h LYS 63 Cb 0.45 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1s5f h LYS 63 CO -0.45 0.83 -0.15 0.00 -2.27 0.00 0.00 179.45 177.40 1s5f h ALA 64 N 1.19 1.04 -0.05 5.00 0.00 -1.55 -2.19 119.26 122.70 1s5f h ALA 64 Ca 0.10 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1s5f h ALA 64 Cb 0.65 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1s5f h ALA 64 CO 0.05 0.19 -0.36 0.82 0.00 0.00 0.00 179.25 179.94 1s5f h ILE 65 N 0.00 1.44 -0.50 0.00 2.04 -1.32 -2.22 117.51 116.96 1s5f h ILE 65 Ca -0.00 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 64.05 1s5f h ILE 65 Cb 0.65 2.41 -0.02 0.00 -0.74 0.00 0.00 36.82 39.12 1s5f h ILE 65 CO 0.02 0.52 0.31 -0.33 0.00 0.00 0.00 178.15 178.67 1s5f h GLU 66 N -0.17 0.66 -0.40 2.37 4.39 -1.51 -2.36 114.58 117.55 1s5f h GLU 66 Ca -0.03 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.48 1s5f h GLU 66 Cb 1.04 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 1s5f h GLU 66 CO 0.07 0.45 -0.33 -0.09 -1.16 0.00 0.00 179.01 177.96 1s5f h ARG 67 N 0.68 0.91 -0.28 2.33 2.43 -1.36 -2.58 114.38 116.51 1s5f h ARG 67 Ca 0.18 -0.44 -0.07 0.00 -0.81 0.00 0.00 59.98 58.84 1s5f h ARG 67 Cb -0.05 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1s5f h ARG 67 CO -0.04 1.10 -0.11 1.98 -1.51 0.00 0.00 179.97 181.39 1s5f h MET 68 N 0.76 0.46 -0.04 0.20 4.05 -0.91 0.25 114.93 119.70 1s5f h MET 68 Ca 0.08 -0.13 -0.16 0.00 -0.28 0.00 0.00 59.70 59.21 1s5f h MET 68 Cb 0.90 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.64 1s5f h MET 68 CO 0.08 0.58 -0.68 0.87 0.23 0.00 0.00 176.91 177.99 1s5f h LYS 69 N 0.43 0.20 -0.65 0.39 1.57 -1.41 -1.85 116.57 115.26 1s5f h LYS 69 Ca 0.08 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1s5f h LYS 69 Cb 0.46 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1s5f h LYS 69 CO 0.03 0.81 0.17 -0.44 -0.57 0.00 0.00 179.45 179.45 1s5f h ASP 70 N 0.14 0.94 -0.13 0.86 3.32 -0.98 -2.94 116.42 117.64 1s5f h ASP 70 Ca -0.02 -0.18 -0.19 0.00 0.02 0.00 0.00 57.03 56.66 1s5f h ASP 70 Cb 1.22 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1s5f h ASP 70 CO 0.10 0.90 -0.64 0.74 -1.72 0.00 0.00 179.24 178.63 1s5f h THR 71 N 0.96 1.29 -0.23 0.35 2.02 -0.71 -2.82 112.91 113.78 1s5f h THR 71 Ca 0.21 -1.86 -0.19 0.00 0.77 0.00 0.00 66.41 65.33 1s5f h THR 71 Cb 0.32 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1s5f h THR 71 CO -0.00 0.59 -0.63 -0.07 0.37 0.00 0.00 175.52 175.78 1s5f h LEU 72 N 0.55 0.90 -0.28 2.58 3.38 -1.39 -1.73 115.31 119.32 1s5f h LEU 72 Ca -0.01 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 1s5f h LEU 72 Cb 1.24 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1s5f h LEU 72 CO 0.13 1.30 0.07 -0.09 0.09 0.00 0.00 178.44 179.95 1s5f h ARG 73 N 0.58 0.45 -0.02 1.13 2.43 -1.54 -0.93 114.38 116.48 1s5f h ARG 73 Ca -0.01 -0.11 -0.12 0.00 -0.81 0.00 0.00 59.98 58.93 1s5f h ARG 73 Cb 1.23 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 1s5f h ARG 73 CO 0.13 0.53 -0.56 0.97 -1.51 0.00 0.00 179.97 179.53 1s5f h ILE 74 N 0.29 1.40 -0.53 1.20 2.10 -1.50 -1.95 117.51 118.52 1s5f h ILE 74 Ca 0.09 -1.92 -0.09 0.00 1.08 0.00 0.00 64.86 64.02 1s5f h ILE 74 Cb 0.28 2.02 -0.02 0.00 -1.09 0.00 0.00 36.82 38.01 1s5f h ILE 74 CO 0.00 0.55 -0.02 0.00 -1.08 0.00 0.00 178.15 177.60 1s5f h ALA 75 N 1.39 0.71 -0.38 0.18 0.00 -1.17 -1.88 119.26 118.11 1s5f h ALA 75 Ca -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1s5f h ALA 75 Cb 1.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1s5f h ALA 75 CO 0.08 0.55 0.18 -0.92 0.00 0.00 0.00 179.25 179.13 1s5f h TYR 76 N 0.82 0.55 -0.03 0.00 3.20 -1.02 -0.76 116.97 119.72 1s5f h TYR 76 Ca 0.15 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1s5f h TYR 76 Cb 0.56 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1s5f h TYR 76 CO 0.04 0.47 0.00 1.28 -1.64 0.00 0.00 178.16 178.31 1s5f n LEU 77 N -4.70 0.94 0.00 2.82 4.77 -0.75 -2.70 117.00 117.37 1s5f n LEU 77 Ca -0.00 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1s5f n LEU 77 Cb 0.11 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1s5f n LEU 77 CO 0.36 0.17 0.25 0.35 -1.33 0.00 0.00 177.39 177.19 1s5f n THR 78 N -0.24 0.05 -3.05 -5.08 -2.24 -0.72 -5.03 114.28 97.98 1s5f n THR 78 Ca 0.19 -0.49 -0.23 0.00 -2.27 0.00 0.00 64.05 61.26 1s5f n THR 78 Cb 0.25 1.04 0.03 0.00 -2.10 0.00 0.00 70.33 69.55 1s5f n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s5f n GLU 79 N -0.03 -4.75 -1.94 -0.78 1.02 -0.40 -4.96 120.64 108.80 1s5f n GLU 79 Ca 0.00 0.87 -0.42 0.00 -0.02 0.00 0.00 57.16 57.59 1s5f n GLU 79 Cb 0.03 -5.72 -0.03 0.00 -0.02 0.00 0.00 31.44 25.70 1s5f n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s5f s ALA 80 N -3.16 3.75 -0.05 0.62 0.00 -0.55 -4.77 121.76 117.60 1s5f s ALA 80 Ca 0.31 1.32 -0.30 0.00 0.00 0.00 0.00 51.96 53.30 1s5f s ALA 80 Cb -0.14 -3.63 -0.06 0.00 0.00 0.00 0.00 23.12 19.28 1s5f s ALA 80 CO 0.38 -0.84 1.83 0.21 0.00 0.00 0.00 175.76 177.34 1s5f s LYS 81 N 1.47 4.01 -0.16 0.00 2.20 -1.26 -4.18 119.74 121.82 1s5f s LYS 81 Ca 0.71 2.28 -0.14 0.00 -0.36 0.00 0.00 55.97 58.46 1s5f s LYS 81 Cb -0.43 -4.10 -0.05 0.00 -1.51 0.00 0.00 37.83 31.75 1s5f s LYS 81 CO 0.31 -1.07 0.30 0.14 -0.36 0.00 0.00 175.35 174.67 1s5f s VAL 82 N 4.78 5.30 -0.06 4.02 -7.23 -1.00 -4.10 120.40 122.10 1s5f s VAL 82 Ca 0.82 0.56 -0.00 0.00 -1.81 0.00 0.00 61.98 61.55 1s5f s VAL 82 Cb -0.36 -3.63 -0.00 0.00 0.56 0.00 0.00 36.38 32.95 1s5f s VAL 82 CO 0.35 0.40 -0.00 -0.08 -0.31 0.00 0.00 175.10 175.45 1s5f h GLU 83 N 6.60 0.00 -4.69 4.82 4.81 -1.36 -1.93 114.58 122.83 1s5f h GLU 83 Ca -0.42 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.56 1s5f h GLU 83 Cb 1.17 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.40 1s5f h GLU 83 CO 0.75 0.00 -0.67 0.15 -0.73 0.00 0.00 179.01 178.51 1s5f s LYS 84 N -1.36 1.00 -0.12 1.92 1.02 -1.20 -1.94 119.74 119.07 1s5f s LYS 84 Ca -0.00 -1.47 -0.00 0.00 0.02 0.00 0.00 55.97 54.52 1s5f s LYS 84 Cb 0.00 -0.16 0.02 0.00 -0.52 0.00 0.00 37.83 37.18 1s5f s LYS 84 CO 0.00 -0.13 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.70 1s5f s LEU 85 N -3.12 1.29 -0.07 3.17 1.43 -0.79 -2.31 118.68 118.28 1s5f s LEU 85 Ca 0.21 -0.34 -0.28 0.00 -1.03 0.00 0.00 54.13 52.69 1s5f s LEU 85 Cb 0.06 -0.91 -0.02 0.00 0.03 0.00 0.00 46.19 45.35 1s5f s LEU 85 CO 0.01 -0.10 0.92 0.00 0.23 0.00 0.00 176.35 177.41 1s5f s VAL 87 N 1.44 0.61 -0.31 0.00 -7.23 -0.99 -0.94 120.40 112.97 1s5f s VAL 87 Ca 0.47 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.54 1s5f s VAL 87 Cb -0.19 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 1s5f s VAL 87 CO 0.21 0.00 0.16 0.26 -0.31 0.00 0.00 175.10 175.42 1s5f s TRP 88 N -3.43 3.18 -2.09 2.82 0.51 -0.19 -2.28 118.94 117.46 1s5f s TRP 88 Ca 0.32 -0.50 0.30 0.00 -2.12 0.00 0.00 56.10 54.10 1s5f s TRP 88 Cb 0.05 -2.36 1.48 0.00 -0.81 0.00 0.00 33.47 31.83 1s5f s TRP 88 CO 0.16 -0.43 1.99 0.27 -0.51 0.00 0.00 176.95 178.43 1s5f n ASN 89 N 4.99 0.60 -1.71 2.95 0.23 -0.73 -2.65 115.26 118.95 1s5f n ASN 89 Ca -0.14 -1.07 -0.14 0.00 -0.53 0.00 0.00 54.58 52.70 1s5f n ASN 89 Cb 0.49 -0.02 0.10 0.00 -2.08 0.00 0.00 39.78 38.28 1s5f n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1s5f n ASN 90 N -0.60 3.49 -3.84 0.53 0.23 -1.26 -4.87 115.26 108.94 1s5f n ASN 90 Ca 0.20 -2.93 -0.10 0.00 -0.53 0.00 0.00 54.58 51.22 1s5f n ASN 90 Cb 0.23 -0.70 -0.08 0.00 -2.08 0.00 0.00 39.78 37.15 1s5f n ASN 90 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1s5f s LYS 91 N -1.90 0.74 -0.13 -3.83 1.02 -1.25 -5.09 119.74 109.31 1s5f s LYS 91 Ca 0.33 -0.69 -0.00 0.00 0.02 0.00 0.00 55.97 55.63 1s5f s LYS 91 Cb 0.28 0.30 0.02 0.00 -0.52 0.00 0.00 37.83 37.91 1s5f s LYS 91 CO 0.06 -0.22 -0.11 0.99 -0.92 0.00 0.00 175.35 175.15 1s5f s THR 92 N -2.85 1.28 1.22 2.17 2.01 -1.26 -2.88 115.64 115.33 1s5f s THR 92 Ca -0.03 -0.45 -0.16 0.00 0.31 0.00 0.00 61.69 61.36 1s5f s THR 92 Cb 0.00 -1.24 0.30 0.00 0.01 0.00 0.00 72.50 71.56 1s5f s THR 92 CO -0.05 0.41 1.02 -2.16 -0.69 0.00 0.00 174.62 173.14 1s5f s PRO 93 N 1.59 -1.33 0.19 4.92 0.04 -1.26 -5.06 135.00 134.09 1s5f s PRO 93 Ca 0.05 0.49 -0.32 0.00 0.04 0.00 0.00 61.00 61.26 1s5f s PRO 93 Cb -0.13 -1.53 -0.12 0.00 0.04 0.00 0.00 34.50 32.76 1s5f s PRO 93 CO -0.09 -3.91 1.75 -1.01 0.04 0.00 0.00 177.00 173.78 1s5f s HIS 94 N -2.55 2.73 -0.25 0.56 3.76 -1.14 -4.57 115.29 113.83 1s5f s HIS 94 Ca 0.68 0.26 -0.25 0.00 -0.15 0.00 0.00 55.06 55.60 1s5f s HIS 94 Cb -0.20 -4.15 -0.00 0.00 1.11 0.00 0.00 32.58 29.34 1s5f s HIS 94 CO 0.61 -4.45 0.86 0.00 -0.85 0.00 0.00 174.74 170.90 1s5f s ALA 95 N 1.54 3.64 0.14 -1.40 0.00 -1.08 -2.03 121.76 122.57 1s5f s ALA 95 Ca 0.76 -0.13 -0.32 0.00 0.00 0.00 0.00 51.96 52.28 1s5f s ALA 95 Cb -0.49 -3.33 -0.11 0.00 0.00 0.00 0.00 23.12 19.19 1s5f s ALA 95 CO 0.33 -0.99 1.79 -0.89 0.00 0.00 0.00 175.76 176.00 1s5f n ILE 96 N 5.31 0.24 -0.06 0.00 5.41 -0.06 -1.02 119.36 129.18 1s5f n ILE 96 Ca 0.06 -0.04 -0.02 0.00 1.00 0.00 0.00 62.75 63.74 1s5f n ILE 96 Cb 0.47 -2.03 -0.13 0.00 -0.71 0.00 0.00 39.64 37.25 1s5f n ILE 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s5f n ALA 97 N 5.02 1.94 -3.67 -1.39 0.00 -0.11 -4.79 120.51 117.51 1s5f n ALA 97 Ca 0.18 -0.86 -0.06 0.00 0.00 0.00 0.00 53.44 52.70 1s5f n ALA 97 Cb 0.36 -0.26 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 1s5f n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s5f s ALA 98 N -2.66 -1.65 -0.04 0.00 0.00 -0.64 -4.98 121.76 111.79 1s5f s ALA 98 Ca -0.07 0.35 -0.06 0.00 0.00 0.00 0.00 51.96 52.18 1s5f s ALA 98 Cb 0.07 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.82 1s5f s ALA 98 CO 0.68 -0.92 0.14 -1.50 0.00 0.00 0.00 175.76 174.16 1s5f s ILE 99 N -3.34 0.03 0.12 0.00 2.07 -1.26 -2.13 121.20 116.69 1s5f s ILE 99 Ca 0.09 -0.24 0.05 0.00 -1.41 0.00 0.00 60.65 59.15 1s5f s ILE 99 Cb -0.02 -0.28 -0.04 0.00 0.13 0.00 0.00 42.46 42.25 1s5f s ILE 99 CO -0.02 -0.13 -0.13 -0.94 -1.91 0.00 0.00 174.94 171.82 1s5f s SER 100 N -0.41 1.83 -0.03 4.50 1.04 -0.98 -5.01 113.70 114.65 1s5f s SER 100 Ca -0.05 -0.81 -0.01 0.00 0.48 0.00 0.00 55.95 55.56 1s5f s SER 100 Cb -0.03 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.07 1s5f s SER 100 CO 0.01 -0.18 0.05 -0.04 0.98 0.00 0.00 173.24 174.05 1s5f s MET 101 N -2.72 0.00 0.00 4.02 -1.94 -1.26 -0.95 119.30 116.44 1s5f s MET 101 Ca 0.08 0.18 0.00 0.00 -1.71 0.00 0.00 55.69 54.24 1s5f s MET 101 Cb -0.04 -0.16 0.00 0.00 2.01 0.00 0.00 34.83 36.64 1s5f s MET 101 CO 0.02 -0.12 0.19 0.00 -0.01 0.00 0.00 175.02 175.10