#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 3.77 -0.60 1.61 0.01 -1.26 -5.10 113.70 112.12 2e5h s SER -5 Ca 0.00 -1.44 -0.15 0.00 1.31 0.00 0.00 55.95 55.67 2e5h s SER -5 Cb 0.00 -0.15 0.15 0.00 0.21 0.00 0.00 66.02 66.23 2e5h s SER -5 CO 0.00 -0.57 0.55 -0.94 0.41 0.00 0.00 173.24 172.70 2e5h s SER -4 N -3.72 6.29 -0.16 2.44 1.04 -1.26 -5.05 113.70 113.28 2e5h s SER -4 Ca 0.28 -2.02 -0.16 0.00 0.48 0.00 0.00 55.95 54.54 2e5h s SER -4 Cb 0.08 -2.20 -0.04 0.00 0.10 0.00 0.00 66.02 63.96 2e5h s SER -4 CO 0.14 -0.78 0.38 -0.83 0.98 0.00 0.00 173.24 173.13 2e5h s GLY -3 N 3.18 2.22 1.31 7.32 0.00 -1.26 -5.07 107.32 115.02 2e5h s GLY -3 Ca 0.07 -0.40 -0.20 0.00 0.00 0.00 0.00 44.72 44.19 2e5h s GLY -3 CO -0.00 0.65 0.71 -1.14 0.00 0.00 0.00 173.10 173.32 2e5h n SER -2 N 3.89 -3.51 -4.22 1.64 3.41 -1.26 -4.97 113.62 108.59 2e5h n SER -2 Ca -0.09 -0.63 -0.38 0.00 -0.26 0.00 0.00 58.87 57.51 2e5h n SER -2 Cb 0.52 -0.97 -0.12 0.00 -0.26 0.00 0.00 64.21 63.38 2e5h n SER -2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2e5h s SER -1 N -2.64 5.31 0.00 4.04 0.01 -1.26 -4.87 113.70 114.29 2e5h s SER -1 Ca 0.59 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 56.40 2e5h s SER -1 Cb -0.12 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.24 2e5h s SER -1 CO 0.52 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 174.36 2e5h n GLY 0 N 4.76 0.00 3.06 3.44 0.00 -1.26 -5.04 105.19 110.15 2e5h n GLY 0 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2e5h n GLY 0 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2e5h s MET 1 N -1.58 2.43 -0.14 1.61 1.00 -1.26 -5.00 119.30 116.36 2e5h s MET 1 Ca 0.00 -0.96 -0.21 0.00 0.00 0.00 0.00 55.69 54.52 2e5h s MET 1 Cb 0.00 -2.58 -0.25 0.00 0.00 0.00 0.00 34.83 32.00 2e5h s MET 1 CO 0.00 -0.38 0.51 1.03 0.00 0.00 0.00 175.02 176.18 2e5h h SER 2 N 7.91 0.19 0.00 3.03 0.87 -1.96 -3.51 113.55 120.08 2e5h h SER 2 Ca -0.32 -0.79 0.00 0.00 -1.23 0.00 0.00 61.79 59.45 2e5h h SER 2 Cb 1.10 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2e5h h SER 2 CO 0.53 1.44 0.00 0.61 -0.53 0.00 0.00 176.83 178.88 2e5h n GLY 3 N 1.62 0.64 0.00 5.77 0.00 -1.26 -4.92 105.19 107.04 2e5h n GLY 3 Ca -0.23 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.06 2e5h n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e5h n GLY 4 N 0.00 -2.00 3.56 -0.02 0.00 -1.26 -5.03 105.19 100.44 2e5h n GLY 4 Ca 0.00 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 2e5h n GLY 4 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2e5h s LEU 5 N 0.00 3.00 -0.97 0.99 2.01 -1.26 -4.69 118.68 117.77 2e5h s LEU 5 Ca 0.00 -0.31 -0.01 0.00 0.01 0.00 0.00 54.13 53.82 2e5h s LEU 5 Cb 0.00 -1.77 -0.01 0.00 0.01 0.00 0.00 46.19 44.42 2e5h s LEU 5 CO 0.00 0.23 0.81 0.00 1.01 0.00 0.00 176.35 178.40 2e5h n ALA 6 N 1.15 -1.72 -2.17 4.21 0.00 -1.26 -4.94 120.51 115.79 2e5h n ALA 6 Ca -0.15 -0.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 2e5h n ALA 6 Cb 0.52 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.50 2e5h n ALA 6 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2e5h s PRO 7 N -4.99 4.24 0.27 0.00 0.04 -1.26 -4.88 135.00 128.44 2e5h s PRO 7 Ca 0.05 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 62.91 2e5h s PRO 7 Cb -0.01 -3.70 0.05 0.00 0.04 0.00 0.00 34.50 30.89 2e5h s PRO 7 CO 0.60 -0.67 0.87 0.45 0.04 0.00 0.00 177.00 178.29 2e5h s SER 8 N 2.30 -0.08 0.18 6.66 0.15 -0.48 -4.77 113.70 117.65 2e5h s SER 8 Ca 0.66 -0.79 -0.23 0.00 0.70 0.00 0.00 55.95 56.28 2e5h s SER 8 Cb -0.31 0.68 0.08 0.00 -1.71 0.00 0.00 66.02 64.75 2e5h s SER 8 CO 0.26 -1.31 1.58 0.50 1.20 0.00 0.00 173.24 175.47 2e5h h LYS 9 N 2.00 -0.20 -0.72 5.44 3.64 -1.92 -1.57 116.57 123.24 2e5h h LYS 9 Ca -0.27 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.21 2e5h h LYS 9 Cb 1.24 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 33.00 2e5h h LYS 9 CO 0.33 -0.13 -0.36 -1.13 -2.27 0.00 0.00 179.45 175.89 2e5h n SER 10 N -5.42 -0.62 -4.75 4.20 3.41 -1.26 -4.28 113.62 104.89 2e5h n SER 10 Ca 0.03 1.27 -0.41 0.00 -0.26 0.00 0.00 58.87 59.49 2e5h n SER 10 Cb 0.35 -0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 2e5h n SER 10 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2e5h s THR 11 N -5.51 2.23 -0.24 6.66 2.01 -0.59 -3.32 115.64 116.88 2e5h s THR 11 Ca -0.09 0.20 -0.04 0.00 0.31 0.00 0.00 61.69 62.07 2e5h s THR 11 Cb 0.11 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.50 2e5h s THR 11 CO 0.48 0.03 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.72 2e5h s VAL 12 N -0.21 3.34 -0.60 3.82 1.01 0.10 -3.29 120.40 124.57 2e5h s VAL 12 Ca 0.60 -0.63 -0.27 0.00 0.00 0.00 0.00 61.98 61.68 2e5h s VAL 12 Cb -0.46 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.35 2e5h s VAL 12 CO 0.49 0.33 1.48 -0.47 0.00 0.00 0.00 175.10 176.93 2e5h s TYR 13 N 1.45 2.16 -0.10 5.22 6.14 0.15 -2.20 117.35 130.17 2e5h s TYR 13 Ca 0.04 0.43 0.01 0.00 0.64 0.00 0.00 57.07 58.19 2e5h s TYR 13 Cb -0.15 -4.38 -0.02 0.00 0.42 0.00 0.00 41.96 37.83 2e5h s TYR 13 CO -0.03 -2.08 -0.12 0.08 0.64 0.00 0.00 175.55 174.04 2e5h s VAL 14 N 6.54 3.22 0.25 3.14 1.01 -0.52 -1.37 120.40 132.67 2e5h s VAL 14 Ca 0.52 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.91 2e5h s VAL 14 Cb -0.11 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 2e5h s VAL 14 CO 0.23 0.55 0.00 -0.44 0.00 0.00 0.00 175.10 175.44 2e5h s SER 15 N -0.15 1.97 -1.15 3.32 0.01 -0.60 -0.13 113.70 116.98 2e5h s SER 15 Ca -0.00 -1.25 -0.06 0.00 1.31 0.00 0.00 55.95 55.95 2e5h s SER 15 Cb -0.13 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.09 2e5h s SER 15 CO 0.03 -0.52 0.77 0.59 0.41 0.00 0.00 173.24 174.52 2e5h n ASN 16 N -0.48 -5.41 -4.85 2.44 4.13 -1.26 -2.85 115.26 106.98 2e5h n ASN 16 Ca -0.04 -0.35 -0.36 0.00 1.68 0.00 0.00 54.58 55.51 2e5h n ASN 16 Cb 0.64 -4.10 -0.06 0.00 -1.54 0.00 0.00 39.78 34.72 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 -5.81 4.38 -1.17 3.41 1.43 -1.15 -4.59 118.68 115.17 2e5h s LEU 17 Ca 0.38 0.90 -0.23 0.00 -1.03 0.00 0.00 54.13 54.15 2e5h s LEU 17 Cb -0.17 -2.96 -0.09 0.00 0.03 0.00 0.00 46.19 43.01 2e5h s LEU 17 CO 0.47 0.19 1.94 -2.16 0.23 0.00 0.00 176.35 177.02 2e5h s PRO 18 N -1.73 2.50 0.52 1.29 0.04 -1.26 -3.85 135.00 132.50 2e5h s PRO 18 Ca 0.32 -1.12 0.46 0.00 0.04 0.00 0.00 61.00 60.70 2e5h s PRO 18 Cb -0.15 -5.23 1.65 0.00 0.04 0.00 0.00 34.50 30.81 2e5h s PRO 18 CO 0.17 -3.95 1.52 1.97 0.04 0.00 0.00 177.00 176.74 2e5h n PHE 19 N 14.37 0.12 -0.36 0.56 1.16 -1.26 -0.31 117.46 131.73 2e5h n PHE 19 Ca 0.45 0.12 0.33 0.00 -1.87 0.00 0.00 57.45 56.48 2e5h n PHE 19 Cb 0.47 -0.59 0.59 0.00 -1.61 0.00 0.00 39.48 38.34 2e5h n PHE 19 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 2e5h n SER 20 N -4.00 0.28 -3.12 5.98 7.64 -1.26 -4.39 113.62 114.75 2e5h n SER 20 Ca 0.43 1.46 -0.17 0.00 1.01 0.00 0.00 58.87 61.59 2e5h n SER 20 Cb 1.89 -0.71 0.15 0.00 -1.01 0.00 0.00 64.21 64.53 2e5h n SER 20 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2e5h n LEU 21 N -4.91 0.00 -4.28 -3.43 4.77 0.57 -5.08 117.00 104.64 2e5h n LEU 21 Ca 0.37 -0.65 -0.16 0.00 -0.03 0.00 0.00 56.01 55.54 2e5h n LEU 21 Cb 1.33 -0.58 -0.10 0.00 -2.33 0.00 0.00 43.42 41.73 2e5h n LEU 21 CO 0.08 -1.77 -0.42 0.28 -1.33 0.00 0.00 177.39 174.22 2e5h s THR 22 N -2.07 1.37 0.19 -5.08 -1.32 -1.26 -5.00 115.64 102.47 2e5h s THR 22 Ca 0.41 -2.08 -0.08 0.00 -1.21 0.00 0.00 61.69 58.73 2e5h s THR 22 Cb -0.04 -1.88 0.28 0.00 -1.51 0.00 0.00 72.50 69.34 2e5h s THR 22 CO 0.32 -0.67 1.12 -3.20 -2.21 0.00 0.00 174.62 169.98 2e5h n ASN 23 N -0.19 -0.33 -0.03 8.08 2.85 -1.26 0.11 115.26 124.50 2e5h n ASN 23 Ca -0.10 1.24 -0.08 0.00 -0.11 0.00 0.00 54.58 55.53 2e5h n ASN 23 Cb 0.60 -0.35 -0.02 0.00 1.24 0.00 0.00 39.78 41.26 2e5h n ASN 23 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 2e5h h ASN 24 N 0.00 -0.69 -0.04 1.20 2.35 -2.00 -2.20 115.58 114.20 2e5h h ASN 24 Ca 0.31 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 2e5h h ASN 24 Cb 0.49 0.33 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 2e5h h ASN 24 CO -0.73 -0.26 -0.04 0.44 -1.65 0.00 0.00 177.43 175.19 2e5h h ASP 25 N -0.24 -0.15 -0.81 5.81 5.19 0.44 -2.39 116.42 124.28 2e5h h ASP 25 Ca 0.13 0.02 0.08 0.00 -0.62 0.00 0.00 57.03 56.64 2e5h h ASP 25 Cb 0.43 0.06 -0.11 0.00 0.18 0.00 0.00 39.33 39.89 2e5h h ASP 25 CO -0.34 -0.03 -0.56 -0.07 -3.12 0.00 0.00 179.24 175.11 2e5h h LEU 26 N -0.03 -2.00 -0.69 1.55 3.38 -1.37 0.98 115.31 117.13 2e5h h LEU 26 Ca 0.01 0.30 0.12 0.00 0.09 0.00 0.00 57.88 58.40 2e5h h LEU 26 Cb 0.04 0.88 -0.12 0.00 0.09 0.00 0.00 40.66 41.55 2e5h h LEU 26 CO -0.05 -0.29 -0.22 0.00 0.09 0.00 0.00 178.44 177.97 2e5h n TYR 27 N -5.31 0.13 0.08 1.13 4.19 -0.84 -0.34 117.16 116.20 2e5h n TYR 27 Ca 0.01 0.84 -0.10 0.00 3.31 0.00 0.00 57.90 61.96 2e5h n TYR 27 Cb 0.30 -0.82 -0.07 0.00 0.49 0.00 0.00 39.34 39.24 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 -0.28 -1.56 2.98 3.08 -0.58 -0.28 114.38 117.73 2e5h h ARG 28 Ca 0.28 0.02 0.45 0.00 0.07 0.00 0.00 59.98 60.80 2e5h h ARG 28 Cb 0.45 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.50 2e5h h ARG 28 CO -0.70 0.08 1.24 0.82 -1.07 0.00 0.00 179.97 180.34 2e5h h ILE 29 N -0.93 0.09 0.00 2.04 2.04 0.15 1.64 117.51 122.54 2e5h h ILE 29 Ca -0.03 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.65 2e5h h ILE 29 Cb 0.49 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 2e5h h ILE 29 CO 0.05 0.00 -2.06 0.49 0.00 0.00 0.00 178.15 176.63 2e5h n PHE 30 N -3.81 0.16 -0.34 1.37 3.72 0.54 -4.34 117.46 114.76 2e5h n PHE 30 Ca 0.35 0.05 0.06 0.00 -0.05 0.00 0.00 57.45 57.86 2e5h n PHE 30 Cb 1.72 -0.81 0.22 0.00 -0.94 0.00 0.00 39.48 39.67 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 0.83 -0.95 4.37 0.87 0.43 -0.19 113.55 118.90 2e5h h SER 31 Ca -0.26 0.05 0.28 0.00 -1.23 0.00 0.00 61.79 60.63 2e5h h SER 31 Cb 1.62 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 63.43 2e5h h SER 31 CO 0.02 0.44 1.00 0.07 -0.53 0.00 0.00 176.83 177.82 2e5h h LYS 32 N 0.91 0.00 0.00 2.24 2.10 -1.68 -2.55 116.57 117.60 2e5h h LYS 32 Ca 0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 2e5h h LYS 32 Cb 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 2e5h h LYS 32 CO -0.27 0.00 -0.71 0.66 -2.00 0.00 0.00 179.45 177.12 2e5h n TYR 33 N -3.49 0.00 -3.97 0.07 4.01 -0.13 -5.05 117.16 108.60 2e5h n TYR 33 Ca 0.21 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.83 2e5h n TYR 33 Cb 1.30 -0.36 -0.13 0.00 -0.31 0.00 0.00 39.34 39.84 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 -4.36 0.16 0.18 2.72 0.00 -0.94 -4.96 107.32 100.11 2e5h s GLY 34 Ca -0.21 -0.27 -0.33 0.00 0.00 0.00 0.00 44.72 43.91 2e5h s GLY 34 CO 0.31 -0.29 1.44 1.17 0.00 0.00 0.00 173.10 175.73 2e5h n LYS 35 N 2.51 1.88 -3.87 2.90 3.00 -1.26 -3.90 118.16 119.41 2e5h n LYS 35 Ca -0.16 0.67 -0.37 0.00 -0.00 0.00 0.00 58.31 58.45 2e5h n LYS 35 Cb 0.58 -2.36 -0.07 0.00 0.00 0.00 0.00 35.03 33.19 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 0.38 5.44 -0.17 3.15 1.01 -1.26 -2.32 120.40 126.63 2e5h s VAL 36 Ca 0.75 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.88 2e5h s VAL 36 Cb -0.72 -3.39 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 2e5h s VAL 36 CO 0.45 0.59 -0.19 0.52 0.00 0.00 0.00 175.10 176.46 2e5h n VAL 37 N 2.27 0.98 -3.78 2.92 0.31 -0.98 -4.92 118.33 115.13 2e5h n VAL 37 Ca -0.19 -0.31 -0.13 0.00 -0.01 0.00 0.00 64.34 63.69 2e5h n VAL 37 Cb 0.54 -1.41 -0.14 0.00 -0.91 0.00 0.00 33.84 31.93 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 -2.33 0.12 0.09 5.55 1.02 -1.24 -5.08 119.74 117.87 2e5h s LYS 38 Ca -0.24 0.30 -0.04 0.00 0.02 0.00 0.00 55.97 56.01 2e5h s LYS 38 Cb 0.08 -0.07 -0.05 0.00 -0.52 0.00 0.00 37.83 37.27 2e5h s LYS 38 CO 0.35 -0.10 0.31 0.08 -0.92 0.00 0.00 175.35 175.07 2e5h s VAL 39 N 0.70 5.25 0.00 3.17 1.01 -1.26 -1.68 120.40 127.59 2e5h s VAL 39 Ca -0.05 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2e5h s VAL 39 Cb -0.07 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.69 2e5h s VAL 39 CO -0.03 0.14 -0.02 -0.89 0.00 0.00 0.00 175.10 174.29 2e5h s THR 40 N -1.54 0.16 -0.01 3.92 2.01 0.11 -4.94 115.64 115.35 2e5h s THR 40 Ca 0.36 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.21 2e5h s THR 40 Cb -0.13 -0.16 0.00 0.00 0.01 0.00 0.00 72.50 72.23 2e5h s THR 40 CO 0.24 -0.00 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.51 2e5h s ILE 41 N -0.17 0.22 0.90 1.82 1.01 -1.26 0.34 121.20 124.06 2e5h s ILE 41 Ca -0.01 -0.08 -0.13 0.00 0.00 0.00 0.00 60.65 60.44 2e5h s ILE 41 Cb -0.02 -0.22 0.13 0.00 0.01 0.00 0.00 42.46 42.37 2e5h s ILE 41 CO -0.00 0.08 1.17 -0.04 0.00 0.00 0.00 174.94 176.15 2e5h s MET 42 N 0.18 1.24 -0.30 2.79 -1.94 -0.65 -4.92 119.30 115.70 2e5h s MET 42 Ca -0.02 0.16 -0.07 0.00 -1.71 0.00 0.00 55.69 54.05 2e5h s MET 42 Cb -0.04 -1.86 0.16 0.00 2.01 0.00 0.00 34.83 35.10 2e5h s MET 42 CO -0.00 -2.10 0.73 0.15 -0.01 0.00 0.00 175.02 173.78 2e5h s LYS 43 N -5.43 0.49 1.14 2.03 1.02 -1.26 -3.96 119.74 113.77 2e5h s LYS 43 Ca 0.64 1.03 -0.17 0.00 0.02 0.00 0.00 55.97 57.49 2e5h s LYS 43 Cb -0.12 0.60 0.18 0.00 -0.52 0.00 0.00 37.83 37.97 2e5h s LYS 43 CO 0.52 -0.35 0.31 -3.47 -0.92 0.00 0.00 175.35 171.43 2e5h n ASP 44 N 5.37 -2.81 -0.07 2.83 2.03 -0.10 -4.78 116.55 119.02 2e5h n ASP 44 Ca -0.07 -0.33 -0.06 0.00 0.52 0.00 0.00 54.79 54.85 2e5h n ASP 44 Cb 0.51 -0.92 -0.02 0.00 -0.72 0.00 0.00 41.12 39.97 2e5h n ASP 44 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2e5h n LYS 45 N -2.74 0.43 0.04 -0.67 5.02 -1.26 -3.52 118.16 115.46 2e5h n LYS 45 Ca 0.04 0.32 -0.01 0.00 -2.02 0.00 0.00 58.31 56.64 2e5h n LYS 45 Cb 0.52 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 34.10 2e5h n LYS 45 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2e5h h ASP 46 N -0.87 -0.08 -0.66 4.39 3.32 -2.01 -3.30 116.42 117.21 2e5h h ASP 46 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 2e5h h ASP 46 Cb 0.68 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 2e5h h ASP 46 CO 0.00 -0.05 0.20 0.71 -1.72 0.00 0.00 179.24 178.38 2e5h h THR 47 N -0.11 1.25 -3.66 0.35 1.35 -2.00 -3.47 112.91 106.62 2e5h h THR 47 Ca -0.01 -0.88 -0.19 0.00 -0.55 0.00 0.00 66.41 64.78 2e5h h THR 47 Cb 0.07 0.51 0.08 0.00 -1.73 0.00 0.00 68.15 67.08 2e5h h THR 47 CO 0.02 0.34 -0.37 -1.14 -0.25 0.00 0.00 175.52 174.12 2e5h n ARG 48 N -4.26 -3.72 -4.37 4.72 0.63 -1.23 -4.98 116.66 103.45 2e5h n ARG 48 Ca 0.05 0.43 -0.29 0.00 -0.92 0.00 0.00 57.85 57.12 2e5h n ARG 48 Cb 0.23 -4.22 -0.12 0.00 0.45 0.00 0.00 32.46 28.80 2e5h n ARG 48 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2e5h s LYS 49 N -5.18 1.52 0.25 -0.14 -0.14 -1.26 -4.67 119.74 110.13 2e5h s LYS 49 Ca 0.15 -1.34 -0.04 0.00 -1.36 0.00 0.00 55.97 53.38 2e5h s LYS 49 Cb -0.07 -1.95 0.29 0.00 -1.68 0.00 0.00 37.83 34.43 2e5h s LYS 49 CO 0.37 0.45 1.79 1.03 -0.76 0.00 0.00 175.35 178.23 2e5h h SER 50 N 3.71 0.90 -1.71 2.83 0.87 -1.92 -0.23 113.55 118.01 2e5h h SER 50 Ca -0.50 -0.16 -0.36 0.00 -1.23 0.00 0.00 61.79 59.53 2e5h h SER 50 Cb 1.18 -0.24 -0.08 0.00 -0.44 0.00 0.00 62.40 62.82 2e5h h SER 50 CO 0.42 0.86 -0.40 0.29 -0.53 0.00 0.00 176.83 177.48 2e5h n LYS 51 N -4.26 -1.34 0.00 2.24 5.02 -1.26 -2.59 118.16 115.96 2e5h n LYS 51 Ca 0.05 1.00 0.00 0.00 -2.02 0.00 0.00 58.31 57.34 2e5h n LYS 51 Cb 0.23 -5.38 0.00 0.00 -0.02 0.00 0.00 35.03 29.85 2e5h n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2e5h n GLY 52 N -0.89 1.45 3.61 0.72 0.00 -1.25 -4.38 105.19 104.46 2e5h n GLY 52 Ca -0.20 -0.00 -0.48 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 -3.85 1.61 0.31 -1.07 -2.96 118.33 112.82 2e5h n VAL 53 Ca 0.00 -0.21 -0.09 0.00 -0.01 0.00 0.00 64.34 64.03 2e5h n VAL 53 Cb 0.00 -1.97 -0.07 0.00 -0.91 0.00 0.00 33.84 30.89 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 5.66 -0.26 -0.06 3.52 0.00 0.82 -1.64 121.76 129.79 2e5h s ALA 54 Ca 0.98 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 52.45 2e5h s ALA 54 Cb -0.66 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 2e5h s ALA 54 CO 0.48 -0.48 -0.23 -0.06 0.00 0.00 0.00 175.76 175.47 2e5h s PHE 55 N -3.60 2.27 -0.18 0.00 0.40 0.15 -1.44 117.98 115.58 2e5h s PHE 55 Ca 0.03 -0.74 -0.02 0.00 -0.60 0.00 0.00 56.93 55.59 2e5h s PHE 55 Cb 0.04 -1.51 -0.01 0.00 0.51 0.00 0.00 43.02 42.05 2e5h s PHE 55 CO -0.10 -0.26 -0.08 0.42 0.70 0.00 0.00 175.22 175.91 2e5h s ILE 56 N 0.03 3.20 -0.25 0.64 -1.09 -0.94 0.07 121.20 122.87 2e5h s ILE 56 Ca -0.08 -0.57 -0.18 0.00 -2.23 0.00 0.00 60.65 57.59 2e5h s ILE 56 Cb -0.14 -2.41 -0.03 0.00 -1.58 0.00 0.00 42.46 38.30 2e5h s ILE 56 CO 0.05 0.47 0.51 -0.22 -1.23 0.00 0.00 174.94 174.52 2e5h s LEU 57 N 1.03 4.06 0.19 2.97 0.20 -0.68 0.01 118.68 126.46 2e5h s LEU 57 Ca -0.00 0.53 0.05 0.00 0.69 0.00 0.00 54.13 55.39 2e5h s LEU 57 Cb -0.15 -2.66 -0.04 0.00 -0.43 0.00 0.00 46.19 42.92 2e5h s LEU 57 CO -0.01 -0.27 0.23 -0.36 -0.29 0.00 0.00 176.35 175.65 2e5h s PHE 58 N 2.23 3.29 0.10 5.38 0.40 -1.21 -2.31 117.98 125.86 2e5h s PHE 58 Ca 0.21 0.00 -0.17 0.00 -0.60 0.00 0.00 56.93 56.38 2e5h s PHE 58 Cb -0.16 -1.54 -0.07 0.00 0.51 0.00 0.00 43.02 41.76 2e5h s PHE 58 CO 0.09 0.51 1.50 1.25 0.70 0.00 0.00 175.22 179.27 2e5h h LEU 59 N 1.94 0.57 -8.71 -0.37 5.85 -1.81 -3.44 115.31 109.34 2e5h h LEU 59 Ca -0.49 -0.35 -0.70 0.00 0.84 0.00 0.00 57.88 57.18 2e5h h LEU 59 Cb 1.21 -0.16 -0.27 0.00 0.37 0.00 0.00 40.66 41.81 2e5h h LEU 59 CO 0.64 0.79 -0.87 -0.62 -0.34 0.00 0.00 178.44 178.04 2e5h s ASP 60 N -6.15 3.23 0.12 1.25 2.15 -1.26 -5.04 116.67 110.97 2e5h s ASP 60 Ca -0.13 -0.49 -0.17 0.00 0.43 0.00 0.00 52.55 52.19 2e5h s ASP 60 Cb 0.08 -0.38 -0.02 0.00 -0.30 0.00 0.00 42.92 42.30 2e5h s ASP 60 CO 0.78 0.29 1.65 0.07 -0.17 0.00 0.00 175.17 177.79 2e5h h LYS 61 N 5.13 0.55 -0.40 4.34 2.10 -1.88 -3.07 116.57 123.34 2e5h h LYS 61 Ca -0.45 -0.11 0.08 0.00 -2.00 0.00 0.00 60.65 58.17 2e5h h LYS 61 Cb 1.13 -0.08 -0.09 0.00 -0.90 0.00 0.00 32.23 32.29 2e5h h LYS 61 CO 0.46 0.56 -0.27 0.22 -2.00 0.00 0.00 179.45 178.42 2e5h h ASP 62 N 0.44 -0.89 -0.53 7.07 1.82 -1.96 -1.16 116.42 121.21 2e5h h ASP 62 Ca 0.12 0.18 0.11 0.00 -0.39 0.00 0.00 57.03 57.04 2e5h h ASP 62 Cb 0.22 0.44 -0.09 0.00 0.68 0.00 0.00 39.33 40.58 2e5h h ASP 62 CO -0.01 -0.28 -0.05 0.28 -1.61 0.00 0.00 179.24 177.57 2e5h h SER 63 N -0.20 -0.33 -0.10 2.28 0.02 -1.92 -2.46 113.55 110.83 2e5h h SER 63 Ca 0.19 0.14 0.03 0.00 -0.84 0.00 0.00 61.79 61.30 2e5h h SER 63 Cb 0.49 0.27 -0.06 0.00 0.14 0.00 0.00 62.40 63.25 2e5h h SER 63 CO -0.52 -0.12 -0.48 0.00 -1.14 0.00 0.00 176.83 174.57 2e5h h ALA 64 N 1.50 -0.85 -0.71 3.77 0.00 -1.14 -2.16 119.26 119.68 2e5h h ALA 64 Ca 0.27 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.22 2e5h h ALA 64 Cb 0.41 0.95 -0.11 0.00 0.00 0.00 0.00 17.79 19.04 2e5h h ALA 64 CO -0.49 -1.02 -0.30 1.04 0.00 0.00 0.00 179.25 178.48 2e5h n GLN 65 N -5.07 -0.19 -0.15 0.00 6.02 -0.93 0.03 117.38 117.09 2e5h n GLN 65 Ca -0.06 1.09 -0.13 0.00 -0.01 0.00 0.00 57.00 57.90 2e5h n GLN 65 Cb 0.33 -1.61 -0.09 0.00 1.02 0.00 0.00 30.24 29.89 2e5h n GLN 65 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 2e5h h ASN 66 N 0.00 -1.75 -0.91 1.08 -1.24 -1.35 -0.22 115.58 111.19 2e5h h ASN 66 Ca 0.22 0.23 0.03 0.00 0.71 0.00 0.00 56.30 57.49 2e5h h ASN 66 Cb 0.40 0.72 -0.05 0.00 0.73 0.00 0.00 38.32 40.12 2e5h h ASN 66 CO -0.70 -0.36 0.59 0.00 -1.29 0.00 0.00 177.43 175.67 2e5h n THR 68 N -4.49 1.32 -0.01 0.00 -1.04 0.63 -1.11 114.28 109.58 2e5h n THR 68 Ca 0.11 0.62 0.00 0.00 -2.04 0.00 0.00 64.05 62.75 2e5h n THR 68 Cb 0.06 -1.62 -0.04 0.00 -1.82 0.00 0.00 70.33 66.91 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 -1.82 1.46 -0.03 -2.82 0.00 -0.21 -3.87 116.66 109.37 2e5h n ARG 69 Ca -0.01 -0.03 -0.14 0.00 -0.00 0.00 0.00 57.85 57.67 2e5h n ARG 69 Cb 0.10 -1.13 -0.09 0.00 0.00 0.00 0.00 32.46 31.33 2e5h n ARG 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2e5h h ALA 70 N 0.38 0.11 0.00 5.13 0.00 0.77 -3.32 119.26 122.33 2e5h h ALA 70 Ca -0.06 -0.40 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 2e5h h ALA 70 Cb 0.70 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2e5h h ALA 70 CO 0.00 0.08 -1.38 -0.84 0.00 0.00 0.00 179.25 177.12 2e5h h ILE 71 N -0.26 0.61 -3.47 0.00 3.07 -1.52 -3.45 117.51 112.49 2e5h h ILE 71 Ca -0.01 -2.16 -0.53 0.00 1.55 0.00 0.00 64.86 63.71 2e5h h ILE 71 Cb 0.85 2.15 0.09 0.00 -0.27 0.00 0.00 36.82 39.63 2e5h h ILE 71 CO 0.05 0.35 0.87 0.21 -1.05 0.00 0.00 178.15 178.57 2e5h s ASN 72 N -5.91 6.36 -1.24 2.16 2.47 -1.25 -2.36 114.94 115.17 2e5h s ASN 72 Ca -0.03 2.98 -0.07 0.00 0.42 0.00 0.00 52.86 56.16 2e5h s ASN 72 Cb 0.08 -2.64 0.01 0.00 -1.45 0.00 0.00 41.25 37.25 2e5h s ASN 72 CO 0.81 -0.91 1.08 0.59 -3.72 0.00 0.00 177.10 174.94 2e5h n ASN 73 N 1.79 -5.65 -4.08 -4.21 3.02 -1.22 -4.86 115.26 100.04 2e5h n ASN 73 Ca 0.07 -0.50 -0.09 0.00 -0.03 0.00 0.00 54.58 54.02 2e5h n ASN 73 Cb 0.38 -4.69 -0.09 0.00 -0.61 0.00 0.00 39.78 34.77 2e5h n ASN 73 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2e5h s LYS 74 N -6.12 0.86 -0.24 3.52 -0.14 -0.99 -5.05 119.74 111.58 2e5h s LYS 74 Ca 0.49 -1.30 -0.07 0.00 -1.36 0.00 0.00 55.97 53.74 2e5h s LYS 74 Cb -0.22 0.26 -0.03 0.00 -1.68 0.00 0.00 37.83 36.17 2e5h s LYS 74 CO 0.67 -0.24 0.05 -0.65 -0.76 0.00 0.00 175.35 174.42 2e5h s GLN 75 N -3.98 3.62 -0.06 1.68 -0.21 -1.26 -1.27 119.66 118.17 2e5h s GLN 75 Ca 0.17 -0.50 0.03 0.00 0.02 0.00 0.00 55.36 55.08 2e5h s GLN 75 Cb 0.07 -3.26 0.00 0.00 1.00 0.00 0.00 33.01 30.82 2e5h s GLN 75 CO -0.03 -0.17 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.30 2e5h s LEU 76 N 1.53 1.84 -1.42 2.90 1.02 -1.05 -4.73 118.68 118.77 2e5h s LEU 76 Ca 0.06 -0.37 -0.06 0.00 0.02 0.00 0.00 54.13 53.78 2e5h s LEU 76 Cb -0.15 -0.99 0.03 0.00 0.02 0.00 0.00 46.19 45.10 2e5h s LEU 76 CO 0.03 0.11 0.48 0.49 0.02 0.00 0.00 176.35 177.47 2e5h n PHE 77 N 3.47 -1.81 -3.00 0.29 3.01 -1.26 -2.17 117.46 116.00 2e5h n PHE 77 Ca -0.20 0.43 -0.12 0.00 1.01 0.00 0.00 57.45 58.56 2e5h n PHE 77 Cb 0.52 -3.74 0.06 0.00 -0.01 0.00 0.00 39.48 36.32 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 -1.30 -0.32 3.21 1.37 0.00 -1.26 -5.00 105.19 101.88 2e5h n GLY 78 Ca -0.09 0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.72 0.18 -0.32 1.61 1.70 -0.92 -5.11 118.95 111.37 2e5h s ARG 79 Ca 0.11 0.36 -0.33 0.00 -0.47 0.00 0.00 55.73 55.41 2e5h s ARG 79 Cb -0.01 0.21 -0.09 0.00 -0.57 0.00 0.00 34.95 34.48 2e5h s ARG 79 CO 0.55 -0.14 2.21 0.28 -1.08 0.00 0.00 175.30 177.13 2e5h n VAL 80 N 5.22 0.22 -3.28 4.99 0.31 -1.26 -2.51 118.33 122.01 2e5h n VAL 80 Ca -0.07 -0.34 -0.38 0.00 -0.01 0.00 0.00 64.34 63.54 2e5h n VAL 80 Cb 0.54 -1.95 -0.06 0.00 -0.91 0.00 0.00 33.84 31.46 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 7.80 5.11 -0.24 2.52 1.01 -0.40 -4.69 121.20 132.31 2e5h s ILE 81 Ca 1.07 1.05 -0.09 0.00 0.00 0.00 0.00 60.65 62.68 2e5h s ILE 81 Cb -0.68 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 37.90 2e5h s ILE 81 CO 0.44 0.36 0.11 -0.54 0.00 0.00 0.00 174.94 175.31 2e5h s LYS 82 N 0.33 3.84 -0.09 2.79 -0.14 -1.13 -3.44 119.74 121.89 2e5h s LYS 82 Ca 0.28 -0.39 0.03 0.00 -1.36 0.00 0.00 55.97 54.53 2e5h s LYS 82 Cb -0.16 -3.40 -0.01 0.00 -1.68 0.00 0.00 37.83 32.58 2e5h s LYS 82 CO 0.13 -0.05 -0.20 0.00 -0.76 0.00 0.00 175.35 174.47 2e5h s ALA 83 N 1.30 2.37 -0.05 5.17 0.00 -1.26 -1.56 121.76 127.74 2e5h s ALA 83 Ca 0.06 -0.97 -0.18 0.00 0.00 0.00 0.00 51.96 50.87 2e5h s ALA 83 Cb -0.15 -0.91 0.04 0.00 0.00 0.00 0.00 23.12 22.10 2e5h s ALA 83 CO 0.05 0.35 0.40 -1.12 0.00 0.00 0.00 175.76 175.45 2e5h s SER 84 N 0.04 -0.33 -0.22 0.00 0.01 -0.47 -4.76 113.70 107.97 2e5h s SER 84 Ca -0.08 0.38 -0.29 0.00 1.31 0.00 0.00 55.95 57.27 2e5h s SER 84 Cb -0.15 0.48 -0.02 0.00 0.21 0.00 0.00 66.02 66.54 2e5h s SER 84 CO 0.05 -0.41 1.59 -0.63 0.41 0.00 0.00 173.24 174.25 2e5h s ILE 85 N -0.94 3.73 -1.04 1.44 -1.09 -1.26 -0.68 121.20 121.37 2e5h s ILE 85 Ca -0.10 0.83 -0.17 0.00 -2.23 0.00 0.00 60.65 58.98 2e5h s ILE 85 Cb -0.04 -3.74 0.15 0.00 -1.58 0.00 0.00 42.46 37.25 2e5h s ILE 85 CO 0.04 -0.30 1.23 0.00 -1.23 0.00 0.00 174.94 174.69 2e5h s ALA 86 N 5.09 3.65 -2.44 9.38 0.00 -1.21 -4.89 121.76 131.34 2e5h s ALA 86 Ca 0.70 -3.03 0.28 0.00 0.00 0.00 0.00 51.96 49.92 2e5h s ALA 86 Cb -0.24 -4.06 1.15 0.00 0.00 0.00 0.00 23.12 19.97 2e5h s ALA 86 CO 0.29 -2.87 1.80 0.44 0.00 0.00 0.00 175.76 175.42