#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5h s SER -5 N 0.00 -0.88 -0.02 1.61 0.15 -1.26 -5.17 113.70 108.13 2e5h s SER -5 Ca 0.00 1.46 0.07 0.00 0.70 0.00 0.00 55.95 58.18 2e5h s SER -5 Cb 0.00 1.36 -0.02 0.00 -1.71 0.00 0.00 66.02 65.65 2e5h s SER -5 CO 0.00 -0.24 -0.23 -0.94 1.20 0.00 0.00 173.24 173.03 2e5h s SER -4 N 1.39 2.70 -0.48 5.45 1.04 -1.26 -5.07 113.70 117.48 2e5h s SER -4 Ca -0.08 -0.42 0.04 0.00 0.48 0.00 0.00 55.95 55.98 2e5h s SER -4 Cb -0.05 -0.31 0.21 0.00 0.10 0.00 0.00 66.02 65.98 2e5h s SER -4 CO -0.16 0.28 0.86 0.61 0.98 0.00 0.00 173.24 175.82 2e5h n GLY -3 N 2.52 -0.60 3.36 7.32 0.00 -1.26 -5.10 105.19 111.42 2e5h n GLY -3 Ca -0.16 0.50 -0.53 0.00 0.00 0.00 0.00 46.02 45.84 2e5h n GLY -3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2e5h n SER -2 N 2.40 0.94 -3.73 1.61 3.41 -1.26 -4.89 113.62 112.10 2e5h n SER -2 Ca 0.13 0.46 -0.25 0.00 -0.26 0.00 0.00 58.87 58.95 2e5h n SER -2 Cb 0.60 -1.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.38 2e5h n SER -2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2e5h s SER -1 N 7.26 2.07 0.00 4.04 0.15 -1.26 -5.06 113.70 120.90 2e5h s SER -1 Ca 1.21 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2e5h s SER -1 Cb -1.27 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 2e5h s SER -1 CO 0.57 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.37 2e5h n GLY 0 N 5.14 2.47 0.09 9.45 0.00 -1.26 -5.05 105.19 116.03 2e5h n GLY 0 Ca -0.07 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 2e5h n GLY 0 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e5h h MET 1 N 0.00 0.08 -3.84 1.61 -0.00 -2.05 -3.49 114.93 107.24 2e5h h MET 1 Ca 0.00 -0.14 -0.19 0.00 -0.00 0.00 0.00 59.70 59.37 2e5h h MET 1 Cb 0.00 0.05 -0.07 0.00 -0.00 0.00 0.00 31.60 31.58 2e5h h MET 1 CO 0.00 1.07 -0.10 -1.12 -0.00 0.00 0.00 176.91 176.76 2e5h s SER 2 N -6.63 0.56 0.00 -0.10 0.01 -1.26 -5.15 113.70 101.14 2e5h s SER 2 Ca -0.21 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 55.73 2e5h s SER 2 Cb 0.01 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.92 2e5h s SER 2 CO 0.70 -1.33 0.00 0.61 0.41 0.00 0.00 173.24 173.62 2e5h n GLY 3 N -0.52 -0.45 3.14 3.44 0.00 -1.26 -5.04 105.19 104.49 2e5h n GLY 3 Ca -0.01 0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2e5h n GLY 3 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2e5h s GLY 4 N 0.00 2.42 0.32 -0.02 0.00 -1.26 -5.08 107.32 103.70 2e5h s GLY 4 Ca 0.00 -3.11 -0.27 0.00 0.00 0.00 0.00 44.72 41.34 2e5h s GLY 4 CO 0.00 1.11 1.01 -2.27 0.00 0.00 0.00 173.10 172.95 2e5h s LEU 5 N 0.24 4.38 0.01 0.66 0.20 -1.26 -5.06 118.68 117.85 2e5h s LEU 5 Ca 0.15 2.01 0.05 0.00 0.69 0.00 0.00 54.13 57.02 2e5h s LEU 5 Cb -0.20 -3.91 -0.02 0.00 -0.43 0.00 0.00 46.19 41.63 2e5h s LEU 5 CO -0.04 -0.16 -0.14 0.00 -0.29 0.00 0.00 176.35 175.72 2e5h s ALA 6 N -1.46 1.18 1.25 5.97 0.00 -1.26 -5.15 121.76 122.29 2e5h s ALA 6 Ca 0.49 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 51.54 2e5h s ALA 6 Cb -0.24 -0.25 0.30 0.00 0.00 0.00 0.00 23.12 22.94 2e5h s ALA 6 CO 0.30 0.26 1.08 -0.35 0.00 0.00 0.00 175.76 177.05 2e5h n PRO 7 N 2.35 -3.12 -3.66 0.00 -0.04 -1.26 -5.09 135.00 124.18 2e5h n PRO 7 Ca -0.16 -1.73 -0.01 0.00 -0.04 0.00 0.00 63.50 61.57 2e5h n PRO 7 Cb 0.55 -1.62 -0.01 0.00 -0.04 0.00 0.00 33.50 32.38 2e5h n PRO 7 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2e5h s SER 8 N -4.42 -0.11 0.21 3.54 1.04 -1.07 -4.96 113.70 107.93 2e5h s SER 8 Ca 0.70 -0.21 -0.10 0.00 0.48 0.00 0.00 55.95 56.82 2e5h s SER 8 Cb -0.07 0.27 0.20 0.00 0.10 0.00 0.00 66.02 66.52 2e5h s SER 8 CO 0.54 -0.50 1.84 0.11 0.98 0.00 0.00 173.24 176.21 2e5h h LYS 9 N 2.00 0.80 0.03 4.02 6.56 -1.86 -2.87 116.57 125.24 2e5h h LYS 9 Ca -0.27 -0.05 0.03 0.00 -1.06 0.00 0.00 60.65 59.30 2e5h h LYS 9 Cb 1.21 -0.18 -0.05 0.00 -0.57 0.00 0.00 32.23 32.64 2e5h h LYS 9 CO 0.27 0.53 -0.34 0.77 -2.06 0.00 0.00 179.45 178.62 2e5h h SER 10 N 0.82 -1.02 -1.02 0.86 0.02 -1.88 -3.41 113.55 107.92 2e5h h SER 10 Ca 0.28 0.13 -0.63 0.00 -0.84 0.00 0.00 61.79 60.73 2e5h h SER 10 Cb 0.05 0.40 0.11 0.00 0.14 0.00 0.00 62.40 63.11 2e5h h SER 10 CO -0.12 -0.41 -0.55 0.41 -1.14 0.00 0.00 176.83 175.02 2e5h n THR 11 N -5.42 1.75 -4.04 -2.27 -1.04 -1.08 -4.16 114.28 98.02 2e5h n THR 11 Ca -0.05 -0.47 -0.32 0.00 -2.04 0.00 0.00 64.05 61.17 2e5h n THR 11 Cb 0.34 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.69 2e5h n THR 11 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2e5h s VAL 12 N -1.02 1.97 -0.58 12.58 1.01 0.22 -2.40 120.40 132.17 2e5h s VAL 12 Ca 0.60 -1.40 -0.27 0.00 0.00 0.00 0.00 61.98 60.92 2e5h s VAL 12 Cb -0.85 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 2e5h s VAL 12 CO 0.54 0.05 1.86 -0.47 0.00 0.00 0.00 175.10 177.08 2e5h s TYR 13 N 1.22 1.67 -0.08 5.22 6.14 0.10 -2.17 117.35 129.45 2e5h s TYR 13 Ca -0.06 0.79 0.02 0.00 0.64 0.00 0.00 57.07 58.46 2e5h s TYR 13 Cb -0.18 -4.08 -0.02 0.00 0.42 0.00 0.00 41.96 38.09 2e5h s TYR 13 CO -0.07 -2.36 -0.13 0.08 0.64 0.00 0.00 175.55 173.72 2e5h s VAL 14 N 8.92 3.14 0.33 3.14 1.01 -0.78 -1.00 120.40 135.16 2e5h s VAL 14 Ca 0.69 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 62.03 2e5h s VAL 14 Cb -0.13 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2e5h s VAL 14 CO 0.22 0.56 0.11 -0.44 0.00 0.00 0.00 175.10 175.56 2e5h s SER 15 N -0.31 2.00 -1.59 3.32 0.01 -0.68 -0.14 113.70 116.31 2e5h s SER 15 Ca 0.03 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 55.79 2e5h s SER 15 Cb -0.13 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.34 2e5h s SER 15 CO 0.03 -0.79 0.00 0.59 0.41 0.00 0.00 173.24 173.48 2e5h n ASN 16 N -0.86 -5.04 -4.81 2.44 4.13 -1.26 -3.06 115.26 106.80 2e5h n ASN 16 Ca -0.02 0.14 -0.36 0.00 1.68 0.00 0.00 54.58 56.02 2e5h n ASN 16 Cb 0.66 -4.10 -0.06 0.00 -1.54 0.00 0.00 39.78 34.73 2e5h n ASN 16 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2e5h s LEU 17 N -4.54 4.36 -1.15 3.41 1.43 -1.20 -4.59 118.68 116.40 2e5h s LEU 17 Ca 0.00 1.45 -0.23 0.00 -1.03 0.00 0.00 54.13 54.33 2e5h s LEU 17 Cb 0.00 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.56 2e5h s LEU 17 CO 0.00 0.04 1.94 -2.16 0.23 0.00 0.00 176.35 176.40 2e5h s PRO 18 N -1.91 2.50 0.48 1.29 0.04 -1.26 -3.97 135.00 132.17 2e5h s PRO 18 Ca 0.43 -1.05 0.42 0.00 0.04 0.00 0.00 61.00 60.84 2e5h s PRO 18 Cb -0.17 -5.22 1.54 0.00 0.04 0.00 0.00 34.50 30.68 2e5h s PRO 18 CO 0.21 -3.91 1.43 1.97 0.04 0.00 0.00 177.00 176.75 2e5h n PHE 19 N 14.34 0.17 -0.31 0.56 -1.74 -1.26 -0.18 117.46 129.04 2e5h n PHE 19 Ca 0.44 0.17 0.30 0.00 -0.56 0.00 0.00 57.45 57.81 2e5h n PHE 19 Cb 0.47 -0.62 0.56 0.00 1.52 0.00 0.00 39.48 41.41 2e5h n PHE 19 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2e5h n SER 20 N -3.96 0.33 -3.65 5.98 2.88 -1.26 -4.41 113.62 109.52 2e5h n SER 20 Ca 0.40 1.56 -0.30 0.00 -1.33 0.00 0.00 58.87 59.20 2e5h n SER 20 Cb 1.75 -0.76 0.25 0.00 -0.75 0.00 0.00 64.21 64.70 2e5h n SER 20 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2e5h s LEU 21 N -10.24 0.32 0.16 2.46 1.43 0.74 -5.07 118.68 108.48 2e5h s LEU 21 Ca -0.08 0.60 0.09 0.00 -1.03 0.00 0.00 54.13 53.71 2e5h s LEU 21 Cb 0.32 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 2e5h s LEU 21 CO 0.74 -4.43 -0.19 0.28 0.23 0.00 0.00 176.35 172.98 2e5h s THR 22 N -2.90 1.89 0.24 5.49 -1.32 -1.26 -5.00 115.64 112.78 2e5h s THR 22 Ca 0.71 -1.88 0.02 0.00 -1.21 0.00 0.00 61.69 59.33 2e5h s THR 22 Cb -0.09 -1.85 0.33 0.00 -1.51 0.00 0.00 72.50 69.38 2e5h s THR 22 CO 0.56 -0.25 1.22 -0.46 -2.21 0.00 0.00 174.62 173.48 2e5h n ASN 23 N 0.40 -0.08 -0.06 8.08 0.23 -1.26 0.16 115.26 122.72 2e5h n ASN 23 Ca -0.14 1.32 -0.08 0.00 -0.53 0.00 0.00 54.58 55.16 2e5h n ASN 23 Cb 0.56 -0.49 -0.01 0.00 -2.08 0.00 0.00 39.78 37.77 2e5h n ASN 23 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 2e5h h ASN 24 N 0.00 -0.09 0.33 0.53 -1.24 -1.99 -1.69 115.58 111.43 2e5h h ASN 24 Ca 0.48 0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.54 2e5h h ASN 24 Cb 0.99 0.10 -0.03 0.00 0.73 0.00 0.00 38.32 40.10 2e5h h ASN 24 CO -0.73 -0.01 -0.51 0.44 -1.29 0.00 0.00 177.43 175.33 2e5h h ASP 25 N 0.08 -1.45 -0.48 1.15 3.32 0.11 -2.72 116.42 116.44 2e5h h ASP 25 Ca 0.12 0.13 0.09 0.00 0.02 0.00 0.00 57.03 57.40 2e5h h ASP 25 Cb 0.15 0.50 -0.10 0.00 0.22 0.00 0.00 39.33 40.11 2e5h h ASP 25 CO -0.20 -0.61 -0.28 -0.07 -1.72 0.00 0.00 179.24 176.35 2e5h h LEU 26 N -0.88 -0.97 -0.95 1.55 3.38 -1.27 0.11 115.31 116.28 2e5h h LEU 26 Ca -0.03 0.19 0.24 0.00 0.09 0.00 0.00 57.88 58.37 2e5h h LEU 26 Cb 0.82 0.48 -0.18 0.00 0.09 0.00 0.00 40.66 41.87 2e5h h LEU 26 CO -0.16 -0.29 -0.07 0.00 0.09 0.00 0.00 178.44 178.01 2e5h n TYR 27 N -5.42 0.51 -0.04 1.13 4.19 -0.65 -0.30 117.16 116.58 2e5h n TYR 27 Ca 0.03 1.15 -0.14 0.00 3.31 0.00 0.00 57.90 62.25 2e5h n TYR 27 Cb 0.33 -1.15 -0.11 0.00 0.49 0.00 0.00 39.34 38.90 2e5h n TYR 27 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2e5h h ARG 28 N 0.00 0.03 -1.05 2.98 3.08 -0.96 -1.60 114.38 116.87 2e5h h ARG 28 Ca 0.53 -0.03 0.29 0.00 0.07 0.00 0.00 59.98 60.84 2e5h h ARG 28 Cb 1.01 0.01 -0.12 0.00 0.08 0.00 0.00 29.97 30.95 2e5h h ARG 28 CO -0.92 0.75 0.64 0.82 -1.07 0.00 0.00 179.97 180.19 2e5h h ILE 29 N -0.68 0.44 0.00 2.04 2.04 0.11 0.99 117.51 122.45 2e5h h ILE 29 Ca -0.00 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.71 2e5h h ILE 29 Cb 0.76 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2e5h h ILE 29 CO 0.01 0.08 -0.63 0.49 0.00 0.00 0.00 178.15 178.10 2e5h n PHE 30 N -4.81 0.14 -0.07 1.37 3.72 0.59 -4.01 117.46 114.38 2e5h n PHE 30 Ca 0.28 0.04 -0.03 0.00 -0.05 0.00 0.00 57.45 57.70 2e5h n PHE 30 Cb 0.90 -0.34 0.21 0.00 -0.94 0.00 0.00 39.48 39.31 2e5h n PHE 30 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2e5h h SER 31 N 0.00 0.66 0.00 4.37 0.87 0.21 -2.10 113.55 117.56 2e5h h SER 31 Ca 0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 2e5h h SER 31 Cb 0.58 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2e5h h SER 31 CO 0.00 0.73 0.29 0.07 -0.53 0.00 0.00 176.83 177.39 2e5h h LYS 32 N 0.66 0.00 0.00 2.24 2.10 -1.65 -2.57 116.57 117.35 2e5h h LYS 32 Ca 0.13 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.61 2e5h h LYS 32 Cb 0.40 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.70 2e5h h LYS 32 CO 0.01 0.00 -1.49 0.66 -2.00 0.00 0.00 179.45 176.64 2e5h n TYR 33 N -2.32 0.00 -3.65 0.07 4.01 -0.82 -5.08 117.16 109.37 2e5h n TYR 33 Ca -0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.60 2e5h n TYR 33 Cb 0.32 -0.61 -0.06 0.00 -0.31 0.00 0.00 39.34 38.68 2e5h n TYR 33 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2e5h s GLY 34 N -5.06 -0.29 0.28 2.72 0.00 -0.97 -4.91 107.32 99.10 2e5h s GLY 34 Ca -0.28 0.26 -0.30 0.00 0.00 0.00 0.00 44.72 44.40 2e5h s GLY 34 CO 0.39 -0.00 1.48 1.17 0.00 0.00 0.00 173.10 176.13 2e5h n LYS 35 N 0.32 2.37 -4.14 2.90 3.00 -1.26 -4.06 118.16 117.29 2e5h n LYS 35 Ca -0.18 0.84 -0.34 0.00 -0.00 0.00 0.00 58.31 58.63 2e5h n LYS 35 Cb 0.61 -2.54 -0.08 0.00 0.00 0.00 0.00 35.03 33.02 2e5h n LYS 35 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2e5h s VAL 36 N -0.25 4.77 -0.14 3.15 1.01 -1.26 -2.12 120.40 125.56 2e5h s VAL 36 Ca 0.64 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.35 2e5h s VAL 36 Cb -0.56 -3.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 2e5h s VAL 36 CO 0.52 0.49 -0.17 0.52 0.00 0.00 0.00 175.10 176.46 2e5h n VAL 37 N 1.67 0.80 -3.83 2.92 0.31 -0.94 -4.89 118.33 114.38 2e5h n VAL 37 Ca -0.16 -0.24 -0.12 0.00 -0.01 0.00 0.00 64.34 63.81 2e5h n VAL 37 Cb 0.53 -1.48 -0.13 0.00 -0.91 0.00 0.00 33.84 31.86 2e5h n VAL 37 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2e5h s LYS 38 N -2.27 0.18 -0.33 5.55 1.02 -1.24 -5.08 119.74 117.56 2e5h s LYS 38 Ca -0.20 0.17 -0.09 0.00 0.02 0.00 0.00 55.97 55.87 2e5h s LYS 38 Cb 0.07 0.08 0.02 0.00 -0.52 0.00 0.00 37.83 37.48 2e5h s LYS 38 CO 0.28 -0.02 0.15 0.08 -0.92 0.00 0.00 175.35 174.92 2e5h s VAL 39 N 0.02 4.35 -0.11 3.17 1.01 -1.26 -1.78 120.40 125.80 2e5h s VAL 39 Ca -0.01 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 2e5h s VAL 39 Cb -0.01 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2e5h s VAL 39 CO 0.00 -0.07 0.05 -0.89 0.00 0.00 0.00 175.10 174.19 2e5h s THR 40 N 1.54 4.76 0.01 3.92 2.01 0.94 -5.01 115.64 123.80 2e5h s THR 40 Ca 0.02 -0.07 0.03 0.00 0.31 0.00 0.00 61.69 61.98 2e5h s THR 40 Cb -0.18 -3.04 -0.01 0.00 0.01 0.00 0.00 72.50 69.28 2e5h s THR 40 CO 0.05 0.60 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.85 2e5h s ILE 41 N -0.82 0.74 0.76 1.82 1.01 -1.26 0.13 121.20 123.57 2e5h s ILE 41 Ca 0.13 -0.57 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 2e5h s ILE 41 Cb -0.12 -0.65 0.09 0.00 0.01 0.00 0.00 42.46 41.79 2e5h s ILE 41 CO 0.03 0.09 1.08 -0.04 0.00 0.00 0.00 174.94 176.09 2e5h s MET 42 N -0.55 1.87 -0.04 2.79 -1.94 -0.83 -4.90 119.30 115.70 2e5h s MET 42 Ca 0.01 -0.34 -0.12 0.00 -1.71 0.00 0.00 55.69 53.53 2e5h s MET 42 Cb -0.05 -2.12 0.02 0.00 2.01 0.00 0.00 34.83 34.69 2e5h s MET 42 CO 0.00 -1.48 0.27 0.15 -0.01 0.00 0.00 175.02 173.94 2e5h s LYS 43 N -5.37 0.53 0.88 2.03 3.01 -1.26 -4.05 119.74 115.51 2e5h s LYS 43 Ca 0.63 -0.05 -0.13 0.00 -1.01 0.00 0.00 55.97 55.42 2e5h s LYS 43 Cb -0.09 0.24 0.15 0.00 -1.01 0.00 0.00 37.83 37.12 2e5h s LYS 43 CO 0.46 -0.12 1.23 0.34 0.51 0.00 0.00 175.35 177.77 2e5h s ASP 44 N -0.87 3.71 -0.18 2.83 2.15 0.80 -4.86 116.67 120.25 2e5h s ASP 44 Ca -0.10 0.33 -0.14 0.00 0.43 0.00 0.00 52.55 53.07 2e5h s ASP 44 Cb -0.05 -0.56 -0.07 0.00 -0.30 0.00 0.00 42.92 41.94 2e5h s ASP 44 CO 0.02 -2.36 -0.20 1.17 -0.17 0.00 0.00 175.17 173.63 2e5h n LYS 45 N -3.49 0.51 0.00 4.34 4.81 -1.26 -3.77 118.16 119.29 2e5h n LYS 45 Ca 0.13 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 2e5h n LYS 45 Cb 0.60 -1.59 0.00 0.00 0.02 0.00 0.00 35.03 34.06 2e5h n LYS 45 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2e5h n ASP 46 N -4.50 0.00 0.25 3.14 9.92 -1.26 -4.04 116.55 120.06 2e5h n ASP 46 Ca -0.18 0.51 0.08 0.00 -0.53 0.00 0.00 54.79 54.67 2e5h n ASP 46 Cb 0.48 -0.37 0.63 0.00 -0.64 0.00 0.00 41.12 41.21 2e5h n ASP 46 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 2e5h h THR 47 N 0.00 1.00 -5.56 -3.53 1.35 -2.02 -3.46 112.91 100.69 2e5h h THR 47 Ca 0.00 -0.01 -0.34 0.00 -0.55 0.00 0.00 66.41 65.51 2e5h h THR 47 Cb 0.00 0.98 0.15 0.00 -1.73 0.00 0.00 68.15 67.55 2e5h h THR 47 CO 0.00 0.00 -0.71 -1.14 -0.25 0.00 0.00 175.52 173.43 2e5h n ARG 48 N -4.54 -6.88 -4.36 4.72 0.00 -1.25 -4.95 116.66 99.41 2e5h n ARG 48 Ca -0.03 0.81 -0.24 0.00 -0.00 0.00 0.00 57.85 58.39 2e5h n ARG 48 Cb 0.09 -5.74 -0.09 0.00 0.00 0.00 0.00 32.46 26.72 2e5h n ARG 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2e5h s LYS 49 N -5.68 2.05 0.45 -0.14 -0.14 -1.26 -4.58 119.74 110.44 2e5h s LYS 49 Ca 0.22 -1.69 0.17 0.00 -1.36 0.00 0.00 55.97 53.31 2e5h s LYS 49 Cb -0.10 -1.95 1.05 0.00 -1.68 0.00 0.00 37.83 35.16 2e5h s LYS 49 CO 0.70 0.22 1.99 1.03 -0.76 0.00 0.00 175.35 178.53 2e5h h SER 50 N 1.91 0.00 -2.15 2.83 0.87 -1.92 0.23 113.55 115.32 2e5h h SER 50 Ca -0.43 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 59.75 2e5h h SER 50 Cb 1.25 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.13 2e5h h SER 50 CO 0.64 0.19 -0.42 0.29 -0.53 0.00 0.00 176.83 177.01 2e5h n LYS 51 N -4.17 -1.61 0.00 2.24 4.76 -1.26 -2.33 118.16 115.79 2e5h n LYS 51 Ca -0.02 1.02 0.00 0.00 -2.87 0.00 0.00 58.31 56.44 2e5h n LYS 51 Cb 0.26 -5.53 0.00 0.00 -1.84 0.00 0.00 35.03 27.93 2e5h n LYS 51 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2e5h n GLY 52 N -0.66 1.16 3.60 0.72 0.00 -1.25 -4.50 105.19 104.26 2e5h n GLY 52 Ca -0.21 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.34 2e5h n GLY 52 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2e5h n VAL 53 N 0.00 0.45 -3.81 1.61 0.31 -0.98 -3.25 118.33 112.66 2e5h n VAL 53 Ca 0.00 -0.24 -0.12 0.00 -0.01 0.00 0.00 64.34 63.96 2e5h n VAL 53 Cb 0.00 -2.06 -0.13 0.00 -0.91 0.00 0.00 33.84 30.75 2e5h n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2e5h s ALA 54 N 6.01 -0.39 -0.22 3.52 0.00 0.80 -1.97 121.76 129.51 2e5h s ALA 54 Ca 0.98 0.47 -0.09 0.00 0.00 0.00 0.00 51.96 53.33 2e5h s ALA 54 Cb -0.61 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 2e5h s ALA 54 CO 0.46 -0.08 0.11 -0.06 0.00 0.00 0.00 175.76 176.19 2e5h s PHE 55 N 0.16 3.25 -0.25 0.00 0.40 0.34 -1.86 117.98 120.02 2e5h s PHE 55 Ca -0.01 0.06 -0.08 0.00 -0.60 0.00 0.00 56.93 56.31 2e5h s PHE 55 Cb -0.02 -2.20 -0.03 0.00 0.51 0.00 0.00 43.02 41.28 2e5h s PHE 55 CO -0.00 0.02 0.08 0.42 0.70 0.00 0.00 175.22 176.44 2e5h s ILE 56 N 0.94 4.44 -0.21 0.64 -1.09 -0.92 -0.04 121.20 124.96 2e5h s ILE 56 Ca 0.06 -0.13 -0.17 0.00 -2.23 0.00 0.00 60.65 58.18 2e5h s ILE 56 Cb -0.13 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.63 2e5h s ILE 56 CO 0.03 0.34 0.45 -0.22 -1.23 0.00 0.00 174.94 174.31 2e5h s LEU 57 N 1.51 4.13 0.36 2.97 0.20 -0.74 0.71 118.68 127.82 2e5h s LEU 57 Ca 0.06 0.55 0.07 0.00 0.69 0.00 0.00 54.13 55.50 2e5h s LEU 57 Cb -0.15 -2.59 -0.02 0.00 -0.43 0.00 0.00 46.19 43.01 2e5h s LEU 57 CO 0.04 -0.14 0.38 -0.36 -0.29 0.00 0.00 176.35 175.98 2e5h s PHE 58 N 1.57 2.92 0.03 5.38 0.40 -1.26 -2.20 117.98 124.80 2e5h s PHE 58 Ca 0.21 -0.32 0.05 0.00 -0.60 0.00 0.00 56.93 56.27 2e5h s PHE 58 Cb -0.15 -1.96 -0.24 0.00 0.51 0.00 0.00 43.02 41.17 2e5h s PHE 58 CO 0.09 0.03 0.93 1.25 0.70 0.00 0.00 175.22 178.21 2e5h h LEU 59 N 1.06 0.14 -7.67 -0.37 5.85 -1.77 -3.44 115.31 109.11 2e5h h LEU 59 Ca -0.44 -0.20 -0.54 0.00 0.84 0.00 0.00 57.88 57.54 2e5h h LEU 59 Cb 1.26 -0.05 -0.37 0.00 0.37 0.00 0.00 40.66 41.87 2e5h h LEU 59 CO 0.55 1.17 -0.80 -0.62 -0.34 0.00 0.00 178.44 178.40 2e5h s ASP 60 N -6.61 2.52 0.24 1.25 2.15 -1.26 -5.02 116.67 109.93 2e5h s ASP 60 Ca -0.05 -0.48 -0.07 0.00 0.43 0.00 0.00 52.55 52.39 2e5h s ASP 60 Cb 0.08 -0.89 0.44 0.00 -0.30 0.00 0.00 42.92 42.25 2e5h s ASP 60 CO 0.83 -0.15 1.65 0.50 -0.17 0.00 0.00 175.17 177.83 2e5h h LYS 61 N 8.14 0.14 -0.64 4.34 3.64 -1.90 0.06 116.57 130.36 2e5h h LYS 61 Ca -0.27 -0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.23 2e5h h LYS 61 Cb 1.12 -0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.79 2e5h h LYS 61 CO 0.41 0.09 -0.15 -0.44 -2.27 0.00 0.00 179.45 177.10 2e5h h ASP 62 N 0.14 -0.57 -0.42 4.20 3.32 -1.96 -0.05 116.42 121.08 2e5h h ASP 62 Ca 0.41 0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.66 2e5h h ASP 62 Cb 0.72 0.39 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 2e5h h ASP 62 CO -0.61 -0.21 0.27 0.28 -1.72 0.00 0.00 179.24 177.25 2e5h h SER 63 N 0.01 0.45 -0.15 6.45 0.02 -1.36 -3.03 113.55 115.93 2e5h h SER 63 Ca 0.31 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.29 2e5h h SER 63 Cb 0.48 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 62.85 2e5h h SER 63 CO -0.65 0.32 -0.49 0.00 -1.14 0.00 0.00 176.83 174.88 2e5h h ALA 64 N 1.17 -0.74 -0.57 3.77 0.00 -0.54 -2.66 119.26 119.69 2e5h h ALA 64 Ca 0.16 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2e5h h ALA 64 Cb -0.03 0.91 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 2e5h h ALA 64 CO -0.05 -1.01 -0.34 1.04 0.00 0.00 0.00 179.25 178.89 2e5h n GLN 65 N -5.44 -0.25 -0.32 0.00 6.02 -0.84 -0.34 117.38 116.21 2e5h n GLN 65 Ca -0.05 1.14 -0.04 0.00 -0.01 0.00 0.00 57.00 58.04 2e5h n GLN 65 Cb 0.37 -1.69 -0.02 0.00 1.02 0.00 0.00 30.24 29.93 2e5h n GLN 65 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2e5h n ASN 66 N -4.34 -0.66 -0.22 1.08 5.15 -1.01 0.22 115.26 115.48 2e5h n ASN 66 Ca 0.01 1.40 0.04 0.00 -0.60 0.00 0.00 54.58 55.43 2e5h n ASN 66 Cb 0.15 -0.26 0.29 0.00 -0.53 0.00 0.00 39.78 39.43 2e5h n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2e5h n THR 68 N -4.46 1.76 -0.01 0.00 -1.04 0.60 -1.48 114.28 109.65 2e5h n THR 68 Ca 0.10 0.47 0.02 0.00 -2.04 0.00 0.00 64.05 62.61 2e5h n THR 68 Cb 0.14 -1.43 -0.05 0.00 -1.82 0.00 0.00 70.33 67.17 2e5h n THR 68 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2e5h n ARG 69 N -1.57 0.87 0.01 -2.82 0.63 0.08 -3.94 116.66 109.93 2e5h n ARG 69 Ca 0.00 -0.05 -0.10 0.00 -0.92 0.00 0.00 57.85 56.79 2e5h n ARG 69 Cb 0.03 -1.17 -0.07 0.00 0.45 0.00 0.00 32.46 31.70 2e5h n ARG 69 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2e5h h ALA 70 N 0.56 -0.14 0.07 5.13 0.00 -0.06 -3.36 119.26 121.47 2e5h h ALA 70 Ca -0.04 -0.24 -0.25 0.00 0.00 0.00 0.00 54.91 54.38 2e5h h ALA 70 Cb 0.58 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2e5h h ALA 70 CO 0.00 -0.19 -1.13 -0.84 0.00 0.00 0.00 179.25 177.09 2e5h h ILE 71 N -0.91 1.60 -3.10 0.00 3.07 -1.65 -3.45 117.51 113.07 2e5h h ILE 71 Ca -0.01 -3.23 -0.58 0.00 1.55 0.00 0.00 64.86 62.58 2e5h h ILE 71 Cb 0.53 2.90 0.12 0.00 -0.27 0.00 0.00 36.82 40.10 2e5h h ILE 71 CO 0.02 0.93 0.30 -3.20 -1.05 0.00 0.00 178.15 175.16 2e5h n ASN 72 N -3.45 1.88 -3.14 2.16 5.15 -1.25 -1.68 115.26 114.92 2e5h n ASN 72 Ca -0.05 1.12 -0.23 0.00 -0.60 0.00 0.00 54.58 54.82 2e5h n ASN 72 Cb 0.99 -1.40 0.03 0.00 -0.53 0.00 0.00 39.78 38.87 2e5h n ASN 72 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2e5h n ASN 73 N 0.65 -5.70 -3.87 1.20 3.02 -1.24 -4.88 115.26 104.44 2e5h n ASN 73 Ca 0.08 -0.33 -0.10 0.00 -0.03 0.00 0.00 54.58 54.19 2e5h n ASN 73 Cb 0.37 -4.61 -0.09 0.00 -0.61 0.00 0.00 39.78 34.84 2e5h n ASN 73 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2e5h s LYS 74 N -5.82 0.61 -0.14 3.52 2.47 -0.68 -5.05 119.74 114.64 2e5h s LYS 74 Ca 0.35 -0.60 -0.05 0.00 -1.56 0.00 0.00 55.97 54.11 2e5h s LYS 74 Cb -0.16 0.25 -0.03 0.00 -1.46 0.00 0.00 37.83 36.42 2e5h s LYS 74 CO 0.43 -0.16 0.01 1.14 0.16 0.00 0.00 175.35 176.93 2e5h s GLN 75 N -2.26 3.59 -0.07 4.03 -2.07 -1.26 -0.16 119.66 121.45 2e5h s GLN 75 Ca -0.08 -0.41 0.02 0.00 -1.82 0.00 0.00 55.36 53.08 2e5h s GLN 75 Cb -0.03 -3.00 0.01 0.00 -1.09 0.00 0.00 33.01 28.91 2e5h s GLN 75 CO -0.03 0.40 -0.13 -0.51 -1.32 0.00 0.00 175.29 173.70 2e5h s LEU 76 N -0.02 1.69 -1.82 2.60 1.02 -0.40 -4.72 118.68 117.03 2e5h s LEU 76 Ca 0.04 -0.33 0.00 0.00 0.02 0.00 0.00 54.13 53.86 2e5h s LEU 76 Cb -0.13 -0.89 0.00 0.00 0.02 0.00 0.00 46.19 45.20 2e5h s LEU 76 CO 0.02 0.05 0.00 0.49 0.02 0.00 0.00 176.35 176.92 2e5h n PHE 77 N 3.78 -0.53 -1.81 0.29 3.01 -1.26 -2.96 117.46 117.98 2e5h n PHE 77 Ca -0.22 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.23 2e5h n PHE 77 Cb 0.52 -3.54 0.00 0.00 -0.01 0.00 0.00 39.48 36.45 2e5h n PHE 77 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2e5h n GLY 78 N -0.84 0.62 3.25 1.37 0.00 -1.26 -5.02 105.19 103.31 2e5h n GLY 78 Ca -0.21 -0.35 0.03 0.00 0.00 0.00 0.00 46.02 45.49 2e5h n GLY 78 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2e5h s ARG 79 N -3.55 0.14 -0.61 1.61 1.70 -1.15 -5.09 118.95 111.99 2e5h s ARG 79 Ca 0.01 0.34 -0.26 0.00 -0.47 0.00 0.00 55.73 55.35 2e5h s ARG 79 Cb -0.00 0.20 -0.10 0.00 -0.57 0.00 0.00 34.95 34.48 2e5h s ARG 79 CO 0.03 -0.07 2.42 0.28 -1.08 0.00 0.00 175.30 176.88 2e5h n VAL 80 N 4.88 -0.06 -2.63 4.99 0.31 -1.26 -1.28 118.33 123.28 2e5h n VAL 80 Ca -0.08 -0.69 -0.41 0.00 -0.01 0.00 0.00 64.34 63.16 2e5h n VAL 80 Cb 0.54 -2.47 -0.04 0.00 -0.91 0.00 0.00 33.84 30.96 2e5h n VAL 80 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2e5h s ILE 81 N 12.98 4.15 -0.09 2.52 1.01 0.77 -4.71 121.20 137.83 2e5h s ILE 81 Ca 0.97 1.86 0.03 0.00 0.00 0.00 0.00 60.65 63.51 2e5h s ILE 81 Cb -0.19 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.08 2e5h s ILE 81 CO 0.21 0.32 -0.16 -0.54 0.00 0.00 0.00 174.94 174.77 2e5h s LYS 82 N -0.33 2.91 0.05 2.79 3.01 -1.17 -3.69 119.74 123.31 2e5h s LYS 82 Ca 0.47 -0.74 0.09 0.00 -1.01 0.00 0.00 55.97 54.78 2e5h s LYS 82 Cb -0.26 -2.44 -0.03 0.00 -1.01 0.00 0.00 37.83 34.09 2e5h s LYS 82 CO 0.33 0.38 -0.26 0.00 0.51 0.00 0.00 175.35 176.30 2e5h s ALA 83 N -0.11 2.28 -0.29 5.17 0.00 -1.25 -1.69 121.76 125.87 2e5h s ALA 83 Ca -0.03 -1.29 -0.15 0.00 0.00 0.00 0.00 51.96 50.49 2e5h s ALA 83 Cb -0.14 -0.47 0.14 0.00 0.00 0.00 0.00 23.12 22.64 2e5h s ALA 83 CO 0.04 0.54 0.89 -1.12 0.00 0.00 0.00 175.76 176.11 2e5h s SER 84 N -1.34 -0.67 -0.19 0.00 0.01 -0.17 -4.87 113.70 106.46 2e5h s SER 84 Ca 0.12 1.02 -0.40 0.00 1.31 0.00 0.00 55.95 58.00 2e5h s SER 84 Cb -0.10 1.47 -0.16 0.00 0.21 0.00 0.00 66.02 67.44 2e5h s SER 84 CO 0.03 -0.15 1.63 -0.38 0.41 0.00 0.00 173.24 174.77 2e5h n ILE 85 N 4.30 0.22 -3.47 1.44 2.08 -1.26 0.03 119.36 122.70 2e5h n ILE 85 Ca -0.16 -0.04 -0.43 0.00 0.56 0.00 0.00 62.75 62.68 2e5h n ILE 85 Cb 0.56 -1.08 -0.06 0.00 -0.75 0.00 0.00 39.64 38.31 2e5h n ILE 85 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2e5h s ALA 86 N 2.72 3.67 -2.48 -1.39 0.00 -1.01 -4.75 121.76 118.52 2e5h s ALA 86 Ca 0.95 -2.89 0.28 0.00 0.00 0.00 0.00 51.96 50.31 2e5h s ALA 86 Cb -1.06 -3.08 1.09 0.00 0.00 0.00 0.00 23.12 20.07 2e5h s ALA 86 CO 0.61 -2.07 1.77 0.44 0.00 0.00 0.00 175.76 176.51