#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 2.33 -0.50 1.61 1.04 -1.26 -5.06 113.70 111.86 2e5h s SER -5 Ca 0.00 -0.87 0.03 0.00 0.48 0.00 0.00 55.95 55.58 2e5h s SER -5 Cb 0.00 -0.11 0.44 0.00 0.10 0.00 0.00 66.02 66.45 2e5h s SER -5 CO 0.00 -0.12 1.57 -1.20 0.98 0.00 0.00 173.24 174.47 2e5h n SER -4 N 0.26 6.16 -2.03 7.02 7.64 -1.26 -4.99 113.62 126.43 2e5h n SER -4 Ca -0.13 -3.77 -0.02 0.00 1.01 0.00 0.00 58.87 55.96 2e5h n SER -4 Cb 0.58 -0.66 -0.02 0.00 -1.01 0.00 0.00 64.21 63.11 2e5h n SER -4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e5h n GLY -3 N -0.74 -4.64 3.76 0.23 0.00 -1.26 -4.96 105.19 97.58 2e5h n GLY -3 Ca 0.51 0.42 -0.35 0.00 0.00 0.00 0.00 46.02 46.60 2e5h n GLY -3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e5h s SER -2 N -0.41 5.39 0.96 1.61 0.01 -1.26 -5.01 113.70 114.99 2e5h s SER -2 Ca -0.09 2.22 -0.12 0.00 1.31 0.00 0.00 55.95 59.27 2e5h s SER -2 Cb 0.01 -2.58 0.16 0.00 0.21 0.00 0.00 66.02 63.82 2e5h s SER -2 CO 0.24 -1.45 1.09 -0.94 0.41 0.00 0.00 173.24 172.60 2e5h s SER -1 N -1.86 2.96 0.00 2.44 1.04 -1.26 -4.94 113.70 112.08 2e5h s SER -1 Ca 0.73 1.31 0.00 0.00 0.48 0.00 0.00 55.95 58.47 2e5h s SER -1 Cb -0.25 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 63.88 2e5h s SER -1 CO 0.32 -2.93 0.00 0.61 0.98 0.00 0.00 173.24 172.21 2e5h n GLY 0 N -1.10 0.16 2.69 7.32 0.00 -1.26 -4.65 105.19 108.35 2e5h n GLY 0 Ca 0.06 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 2e5h n GLY 0 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2e5h s MET 1 N -2.00 1.43 0.21 1.61 -2.45 -1.26 -5.09 119.30 111.75 2e5h s MET 1 Ca 0.00 -2.25 -0.23 0.00 -1.25 0.00 0.00 55.69 51.97 2e5h s MET 1 Cb 0.00 -2.38 0.04 0.00 1.25 0.00 0.00 34.83 33.75 2e5h s MET 1 CO 0.00 -1.22 0.73 -1.12 1.05 0.00 0.00 175.02 174.46 2e5h s SER 2 N 0.01 -0.34 -0.33 1.11 0.01 -1.26 -4.99 113.70 107.91 2e5h s SER 2 Ca 0.21 -0.38 0.17 0.00 1.31 0.00 0.00 55.95 57.26 2e5h s SER 2 Cb -0.17 0.64 0.45 0.00 0.21 0.00 0.00 66.02 67.15 2e5h s SER 2 CO -0.06 -1.14 1.14 0.61 0.41 0.00 0.00 173.24 174.20 2e5h n GLY 3 N -0.43 1.59 0.00 3.44 0.00 -1.26 -4.92 105.19 103.61 2e5h n GLY 3 Ca -0.08 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.45 0.00 3.54 -0.02 0.00 -1.26 -5.12 105.19 101.88 2e5h n GLY 4 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2e5h n GLY 4 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2e5h s LEU 5 N 0.00 4.25 -0.20 0.99 1.98 -1.26 -5.03 118.68 119.40 2e5h s LEU 5 Ca 0.00 -0.07 -0.17 0.00 -2.89 0.00 0.00 54.13 51.00 2e5h s LEU 5 Cb 0.00 -2.96 -0.04 0.00 0.66 0.00 0.00 46.19 43.85 2e5h s LEU 5 CO 0.00 -0.89 0.44 0.00 -1.89 0.00 0.00 176.35 174.01 2e5h s ALA 6 N 3.25 3.55 -2.00 5.97 0.00 -1.26 -4.94 121.76 126.34 2e5h s ALA 6 Ca 0.30 -0.49 0.10 0.00 0.00 0.00 0.00 51.96 51.87 2e5h s ALA 6 Cb -0.12 -2.70 0.60 0.00 0.00 0.00 0.00 23.12 20.90 2e5h s ALA 6 CO 0.22 -0.36 1.04 -0.35 0.00 0.00 0.00 175.76 176.31 2e5h n PRO 7 N 4.61 0.49 -0.87 0.00 -0.04 -1.26 -4.61 135.00 133.32 2e5h n PRO 7 Ca -0.07 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.12 2e5h n PRO 7 Cb 0.51 -1.32 0.01 0.00 -0.04 0.00 0.00 33.50 32.65 2e5h n PRO 7 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2e5h n SER 8 N -0.82 -2.64 -0.23 3.54 2.88 -1.26 -3.94 113.62 111.14 2e5h n SER 8 Ca 0.08 0.45 0.05 0.00 -1.33 0.00 0.00 58.87 58.11 2e5h n SER 8 Cb 0.03 -0.59 0.10 0.00 -0.75 0.00 0.00 64.21 63.00 2e5h n SER 8 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2e5h n LYS 9 N 1.09 -0.06 -0.28 -1.46 4.81 -1.24 0.04 118.16 121.06 2e5h n LYS 9 Ca 0.05 1.01 -0.05 0.00 -0.87 0.00 0.00 58.31 58.45 2e5h n LYS 9 Cb 0.33 -1.52 -0.03 0.00 0.02 0.00 0.00 35.03 33.84 2e5h n LYS 9 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2e5h n SER 10 N -5.03 -0.62 -4.42 3.14 3.41 -1.26 -4.34 113.62 104.49 2e5h n SER 10 Ca 0.11 1.22 -0.42 0.00 -0.26 0.00 0.00 58.87 59.52 2e5h n SER 10 Cb 0.35 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2e5h n SER 10 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2e5h n THR 11 N -4.92 1.56 -3.98 6.66 -1.04 0.11 -4.28 114.28 108.38 2e5h n THR 11 Ca 0.04 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.21 2e5h n THR 11 Cb 0.22 -0.42 -0.15 0.00 -1.82 0.00 0.00 70.33 68.17 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 -1.50 2.75 -0.71 12.58 1.01 0.17 -3.28 120.40 131.42 2e5h s VAL 12 Ca 0.62 -1.08 -0.26 0.00 0.00 0.00 0.00 61.98 61.26 2e5h s VAL 12 Cb -0.62 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.37 2e5h s VAL 12 CO 0.59 0.20 1.54 -0.47 0.00 0.00 0.00 175.10 176.96 2e5h s TYR 13 N 1.30 2.03 0.01 5.22 6.14 0.39 -2.05 117.35 130.39 2e5h s TYR 13 Ca -0.00 0.26 0.04 0.00 0.64 0.00 0.00 57.07 58.01 2e5h s TYR 13 Cb -0.17 -4.40 -0.03 0.00 0.42 0.00 0.00 41.96 37.78 2e5h s TYR 13 CO -0.05 -2.15 -0.10 0.08 0.64 0.00 0.00 175.55 173.97 2e5h s VAL 14 N 7.19 3.41 0.24 3.14 1.01 -0.68 -1.26 120.40 133.45 2e5h s VAL 14 Ca 0.50 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.59 2e5h s VAL 14 Cb -0.09 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 2e5h s VAL 14 CO 0.15 0.38 0.13 -0.44 0.00 0.00 0.00 175.10 175.32 2e5h s SER 15 N -1.43 0.80 -1.64 3.32 0.01 -0.52 -0.02 113.70 114.22 2e5h s SER 15 Ca 0.16 -1.43 0.00 0.00 1.31 0.00 0.00 55.95 56.00 2e5h s SER 15 Cb -0.11 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.43 2e5h s SER 15 CO 0.07 -0.81 0.00 0.59 0.41 0.00 0.00 173.24 173.50 2e5h n ASN 16 N -0.49 -5.07 -4.80 2.44 4.13 -1.24 -2.74 115.26 107.49 2e5h n ASN 16 Ca 0.01 0.20 -0.35 0.00 1.68 0.00 0.00 54.58 56.12 2e5h n ASN 16 Cb 0.66 -4.12 -0.07 0.00 -1.54 0.00 0.00 39.78 34.71 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 -4.46 4.20 -1.07 3.41 1.43 -1.09 -4.57 118.68 116.53 2e5h s LEU 17 Ca 0.00 1.71 -0.23 0.00 -1.03 0.00 0.00 54.13 54.58 2e5h s LEU 17 Cb 0.00 -4.14 -0.07 0.00 0.03 0.00 0.00 46.19 42.01 2e5h s LEU 17 CO 0.00 -0.16 1.94 -2.16 0.23 0.00 0.00 176.35 176.20 2e5h s PRO 18 N -2.46 2.52 0.59 1.29 0.04 -1.26 -3.79 135.00 131.93 2e5h s PRO 18 Ca 0.53 -0.80 0.31 0.00 0.04 0.00 0.00 61.00 61.08 2e5h s PRO 18 Cb -0.15 -5.17 1.29 0.00 0.04 0.00 0.00 34.50 30.52 2e5h s PRO 18 CO 0.20 -3.73 1.62 0.27 0.04 0.00 0.00 177.00 175.40 2e5h h PHE 19 N 10.38 0.00 -1.14 0.56 -0.00 -1.92 0.17 116.94 124.99 2e5h h PHE 19 Ca 0.17 0.00 0.32 0.00 -0.00 0.00 0.00 57.97 58.46 2e5h h PHE 19 Cb 0.97 0.00 -0.08 0.00 -0.00 0.00 0.00 35.95 36.83 2e5h h PHE 19 CO 1.21 0.00 0.76 1.03 -0.00 0.00 0.00 178.31 181.32 2e5h h SER 20 N 0.00 0.28 -3.17 -0.68 0.87 -2.04 -3.40 113.55 105.41 2e5h h SER 20 Ca 0.44 0.06 -0.32 0.00 -1.23 0.00 0.00 61.79 60.74 2e5h h SER 20 Cb 2.26 0.02 0.15 0.00 -0.44 0.00 0.00 62.40 64.39 2e5h h SER 20 CO -0.00 0.02 0.19 0.18 -0.53 0.00 0.00 176.83 176.69 2e5h n LEU 21 N -4.49 0.00 -4.32 2.23 4.77 0.60 -5.09 117.00 110.69 2e5h n LEU 21 Ca 0.27 -1.01 -0.17 0.00 -0.03 0.00 0.00 56.01 55.07 2e5h n LEU 21 Cb 1.09 -0.79 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 2e5h n LEU 21 CO 0.30 -1.62 -0.43 0.28 -1.33 0.00 0.00 177.39 174.59 2e5h s THR 22 N -2.87 1.56 0.23 -5.08 -1.32 -1.26 -5.00 115.64 101.90 2e5h s THR 22 Ca 0.57 -2.16 -0.04 0.00 -1.21 0.00 0.00 61.69 58.85 2e5h s THR 22 Cb -0.04 -2.01 0.36 0.00 -1.51 0.00 0.00 72.50 69.30 2e5h s THR 22 CO 0.42 -0.62 1.24 0.59 -2.21 0.00 0.00 174.62 174.04 2e5h n ASN 23 N -0.34 -0.23 -0.12 8.08 4.13 -1.26 0.14 115.26 125.67 2e5h n ASN 23 Ca -0.08 1.36 -0.05 0.00 1.68 0.00 0.00 54.58 57.49 2e5h n ASN 23 Cb 0.61 -0.44 0.03 0.00 -1.54 0.00 0.00 39.78 38.43 2e5h n ASN 23 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 2e5h h ASN 24 N 0.00 -0.21 0.43 6.41 -0.73 -1.99 -0.22 115.58 119.27 2e5h h ASN 24 Ca 0.41 0.10 -0.01 0.00 1.87 0.00 0.00 56.30 58.67 2e5h h ASN 24 Cb 0.70 0.18 -0.03 0.00 0.27 0.00 0.00 38.32 39.45 2e5h h ASN 24 CO -0.80 -0.06 -0.49 0.44 -0.37 0.00 0.00 177.43 176.15 2e5h h ASP 25 N 0.08 -1.36 -0.50 1.15 3.32 0.85 -2.63 116.42 117.33 2e5h h ASP 25 Ca 0.20 0.12 0.10 0.00 0.02 0.00 0.00 57.03 57.46 2e5h h ASP 25 Cb 0.28 0.46 -0.09 0.00 0.22 0.00 0.00 39.33 40.20 2e5h h ASP 25 CO -0.34 -0.63 -0.05 -0.07 -1.72 0.00 0.00 179.24 176.42 2e5h h LEU 26 N -0.94 -0.32 -0.80 1.55 3.38 -1.12 0.50 115.31 117.56 2e5h h LEU 26 Ca -0.05 0.13 0.17 0.00 0.09 0.00 0.00 57.88 58.22 2e5h h LEU 26 Cb 0.83 0.26 -0.15 0.00 0.09 0.00 0.00 40.66 41.69 2e5h h LEU 26 CO -0.10 -0.12 -0.16 0.22 0.09 0.00 0.00 178.44 178.38 2e5h h TYR 27 N 0.06 -0.35 0.09 1.13 5.03 -0.72 0.23 116.97 122.44 2e5h h TYR 27 Ca 0.25 0.07 -0.00 0.00 2.58 0.00 0.00 58.73 61.62 2e5h h TYR 27 Cb 0.38 0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.94 2e5h h TYR 27 CO -0.36 -0.33 -0.04 0.00 -1.32 0.00 0.00 178.16 176.11 2e5h h ARG 28 N 0.01 -0.11 -0.94 1.82 3.08 -0.91 -0.62 114.38 116.71 2e5h h ARG 28 Ca 0.40 0.01 0.26 0.00 0.07 0.00 0.00 59.98 60.71 2e5h h ARG 28 Cb 0.63 0.03 -0.14 0.00 0.08 0.00 0.00 29.97 30.57 2e5h h ARG 28 CO -0.80 0.39 0.44 0.82 -1.07 0.00 0.00 179.97 179.75 2e5h h ILE 29 N -0.69 0.39 0.00 2.04 2.04 0.11 0.95 117.51 122.35 2e5h h ILE 29 Ca -0.01 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2e5h h ILE 29 Cb 0.55 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2e5h h ILE 29 CO 0.02 0.07 -0.46 0.49 0.00 0.00 0.00 178.15 178.27 2e5h n PHE 30 N -5.07 0.42 0.14 1.37 3.72 0.71 -3.74 117.46 115.01 2e5h n PHE 30 Ca 0.25 0.12 -0.01 0.00 -0.05 0.00 0.00 57.45 57.77 2e5h n PHE 30 Cb 0.77 -0.59 0.20 0.00 -0.94 0.00 0.00 39.48 38.92 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 0.05 -0.26 4.37 0.87 0.26 -2.97 113.55 115.86 2e5h h SER 31 Ca 0.00 -0.02 0.08 0.00 -1.23 0.00 0.00 61.79 60.61 2e5h h SER 31 Cb 0.67 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 2e5h h SER 31 CO 0.00 0.60 0.61 0.07 -0.53 0.00 0.00 176.83 177.58 2e5h h LYS 32 N 0.03 0.00 0.00 2.24 2.10 -1.49 -2.62 116.57 116.83 2e5h h LYS 32 Ca -0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 2e5h h LYS 32 Cb 1.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.33 2e5h h LYS 32 CO 0.08 0.00 -1.14 0.66 -2.00 0.00 0.00 179.45 177.05 2e5h n TYR 33 N -3.10 0.00 -3.85 0.07 4.01 -1.13 -5.06 117.16 108.09 2e5h n TYR 33 Ca 0.05 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.67 2e5h n TYR 33 Cb 0.72 -0.53 -0.10 0.00 -0.31 0.00 0.00 39.34 39.12 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 -4.94 0.00 0.25 2.72 0.00 -0.99 -5.00 107.32 99.37 2e5h s GLY 34 Ca -0.28 0.01 -0.30 0.00 0.00 0.00 0.00 44.72 44.14 2e5h s GLY 34 CO 0.41 -0.13 1.21 1.17 0.00 0.00 0.00 173.10 175.76 2e5h n LYS 35 N 1.69 1.62 -4.00 2.90 3.00 -1.26 -4.07 118.16 118.05 2e5h n LYS 35 Ca -0.21 0.57 -0.35 0.00 -0.00 0.00 0.00 58.31 58.33 2e5h n LYS 35 Cb 0.56 -2.09 -0.06 0.00 0.00 0.00 0.00 35.03 33.43 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 -0.55 5.15 -0.21 3.15 1.01 -1.26 -3.06 120.40 124.63 2e5h s VAL 36 Ca 0.65 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.54 2e5h s VAL 36 Cb -0.70 -3.32 -0.15 0.00 0.00 0.00 0.00 36.38 32.21 2e5h s VAL 36 CO 0.55 0.46 -0.16 0.52 0.00 0.00 0.00 175.10 176.47 2e5h n VAL 37 N 1.46 1.24 -3.60 2.92 0.31 -0.98 -4.94 118.33 114.75 2e5h n VAL 37 Ca -0.15 -0.51 -0.15 0.00 -0.01 0.00 0.00 64.34 63.52 2e5h n VAL 37 Cb 0.53 -1.18 -0.07 0.00 -0.91 0.00 0.00 33.84 32.21 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 -2.43 0.88 0.20 5.55 1.02 -1.23 -5.08 119.74 118.64 2e5h s LYS 38 Ca -0.27 0.74 0.04 0.00 0.02 0.00 0.00 55.97 56.50 2e5h s LYS 38 Cb 0.07 0.42 -0.03 0.00 -0.52 0.00 0.00 37.83 37.77 2e5h s LYS 38 CO 0.53 -0.17 0.32 0.08 -0.92 0.00 0.00 175.35 175.19 2e5h s VAL 39 N -0.12 5.28 -0.07 3.17 1.01 -1.26 -1.60 120.40 126.81 2e5h s VAL 39 Ca -0.03 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 2e5h s VAL 39 Cb -0.03 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.58 2e5h s VAL 39 CO 0.03 -0.22 0.33 -0.89 0.00 0.00 0.00 175.10 174.35 2e5h s THR 40 N -1.87 0.03 -0.00 3.92 2.01 0.59 -4.92 115.64 115.40 2e5h s THR 40 Ca 0.34 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.10 2e5h s THR 40 Cb -0.10 -0.56 -0.00 0.00 0.01 0.00 0.00 72.50 71.85 2e5h s THR 40 CO 0.29 -0.14 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.43 2e5h s ILE 41 N -0.61 0.18 0.61 1.82 1.01 -1.26 0.13 121.20 123.09 2e5h s ILE 41 Ca -0.07 -0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.35 2e5h s ILE 41 Cb -0.04 -0.17 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 2e5h s ILE 41 CO 0.03 0.04 1.02 -0.04 0.00 0.00 0.00 174.94 175.98 2e5h s MET 42 N -0.10 3.60 -0.18 2.79 -1.94 -0.41 -4.83 119.30 118.24 2e5h s MET 42 Ca 0.00 0.73 -0.04 0.00 -1.71 0.00 0.00 55.69 54.68 2e5h s MET 42 Cb -0.01 -2.09 0.08 0.00 2.01 0.00 0.00 34.83 34.82 2e5h s MET 42 CO -0.00 -0.56 0.20 0.15 -0.01 0.00 0.00 175.02 174.80 2e5h s LYS 43 N -5.16 0.16 1.05 2.03 3.01 -1.26 -3.98 119.74 115.60 2e5h s LYS 43 Ca 0.55 0.23 -0.15 0.00 -1.01 0.00 0.00 55.97 55.59 2e5h s LYS 43 Cb -0.11 -1.14 0.17 0.00 -1.01 0.00 0.00 37.83 35.74 2e5h s LYS 43 CO 0.54 -0.61 0.28 -3.47 0.51 0.00 0.00 175.35 172.60 2e5h n ASP 44 N 5.32 -2.99 -0.04 2.83 2.03 -0.08 -4.80 116.55 118.82 2e5h n ASP 44 Ca -0.06 -0.37 -0.04 0.00 0.52 0.00 0.00 54.79 54.84 2e5h n ASP 44 Cb 0.49 -0.80 -0.01 0.00 -0.72 0.00 0.00 41.12 40.08 2e5h n ASP 44 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2e5h n LYS 45 N -1.99 0.25 0.28 -0.67 0.00 -1.26 -3.78 118.16 110.98 2e5h n LYS 45 Ca 0.05 0.10 -0.11 0.00 0.00 0.00 0.00 58.31 58.35 2e5h n LYS 45 Cb 0.41 -0.93 -0.05 0.00 0.00 0.00 0.00 35.03 34.46 2e5h n LYS 45 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2e5h h ASP 46 N -0.47 -0.61 -0.05 3.14 3.32 -2.01 -3.27 116.42 116.47 2e5h h ASP 46 Ca 0.00 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 2e5h h ASP 46 Cb 0.47 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 2e5h h ASP 46 CO 0.00 -0.35 -0.29 0.71 -1.72 0.00 0.00 179.24 177.59 2e5h h THR 47 N -0.90 1.28 -5.13 0.35 1.35 -2.00 -3.47 112.91 104.39 2e5h h THR 47 Ca -0.07 -1.35 -0.28 0.00 -0.55 0.00 0.00 66.41 64.15 2e5h h THR 47 Cb 0.55 1.40 0.15 0.00 -1.73 0.00 0.00 68.15 68.52 2e5h h THR 47 CO 0.12 0.43 -0.66 0.54 -0.25 0.00 0.00 175.52 175.70 2e5h n ARG 48 N -4.10 -5.71 -4.35 4.72 1.74 -1.23 -4.97 116.66 102.76 2e5h n ARG 48 Ca -0.01 0.73 -0.18 0.00 -0.77 0.00 0.00 57.85 57.62 2e5h n ARG 48 Cb 0.43 -5.39 -0.10 0.00 -1.02 0.00 0.00 32.46 26.38 2e5h n ARG 48 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2e5h s LYS 49 N -5.18 1.33 0.15 5.56 -0.14 -1.26 -4.70 119.74 115.50 2e5h s LYS 49 Ca 0.01 -1.59 -0.10 0.00 -1.36 0.00 0.00 55.97 52.92 2e5h s LYS 49 Cb -0.00 -1.11 -0.03 0.00 -1.68 0.00 0.00 37.83 35.01 2e5h s LYS 49 CO 0.63 0.18 1.47 1.03 -0.76 0.00 0.00 175.35 177.89 2e5h h SER 50 N 2.55 0.96 -2.07 2.83 0.87 -1.92 -0.18 113.55 116.59 2e5h h SER 50 Ca -0.38 -0.46 -0.41 0.00 -1.23 0.00 0.00 61.79 59.32 2e5h h SER 50 Cb 1.22 -0.27 -0.09 0.00 -0.44 0.00 0.00 62.40 62.82 2e5h h SER 50 CO 0.62 1.25 -0.44 0.29 -0.53 0.00 0.00 176.83 178.02 2e5h n LYS 51 N -4.04 -1.59 0.00 2.24 5.02 -1.26 -2.04 118.16 116.49 2e5h n LYS 51 Ca -0.03 1.08 0.00 0.00 -2.02 0.00 0.00 58.31 57.34 2e5h n LYS 51 Cb 0.57 -5.60 0.00 0.00 -0.02 0.00 0.00 35.03 29.98 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 -0.69 1.90 3.53 0.72 0.00 -1.25 -4.10 105.19 105.31 2e5h n GLY 52 Ca -0.22 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 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 0.14 -3.97 1.61 0.31 -0.87 -2.68 118.33 112.88 2e5h n VAL 53 Ca 0.00 -0.46 -0.10 0.00 -0.01 0.00 0.00 64.34 63.77 2e5h n VAL 53 Cb 0.00 -2.16 -0.12 0.00 -0.91 0.00 0.00 33.84 30.65 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 9.20 0.14 -0.11 3.52 0.00 0.97 -1.28 121.76 134.20 2e5h s ALA 54 Ca 1.06 -0.44 -0.03 0.00 0.00 0.00 0.00 51.96 52.55 2e5h s ALA 54 Cb -0.54 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 2e5h s ALA 54 CO 0.38 -0.10 -0.00 -0.06 0.00 0.00 0.00 175.76 175.98 2e5h s PHE 55 N -1.04 3.14 -0.16 0.00 0.40 0.12 -1.68 117.98 118.76 2e5h s PHE 55 Ca -0.11 0.10 0.01 0.00 -0.60 0.00 0.00 56.93 56.33 2e5h s PHE 55 Cb -0.07 -1.84 0.00 0.00 0.51 0.00 0.00 43.02 41.62 2e5h s PHE 55 CO -0.01 0.35 -0.17 0.42 0.70 0.00 0.00 175.22 176.51 2e5h s ILE 56 N -0.55 2.43 -0.24 0.64 -1.09 -0.87 -0.30 121.20 121.21 2e5h s ILE 56 Ca 0.09 -0.85 -0.16 0.00 -2.23 0.00 0.00 60.65 57.50 2e5h s ILE 56 Cb -0.12 -2.01 -0.03 0.00 -1.58 0.00 0.00 42.46 38.71 2e5h s ILE 56 CO 0.02 0.52 0.43 -0.22 -1.23 0.00 0.00 174.94 174.47 2e5h s LEU 57 N 0.91 4.08 0.55 2.97 0.20 -0.63 0.42 118.68 127.19 2e5h s LEU 57 Ca -0.04 0.45 0.08 0.00 0.69 0.00 0.00 54.13 55.32 2e5h s LEU 57 Cb -0.15 -2.54 0.06 0.00 -0.43 0.00 0.00 46.19 43.14 2e5h s LEU 57 CO -0.03 -0.18 0.65 -0.36 -0.29 0.00 0.00 176.35 176.15 2e5h s PHE 58 N 1.87 1.59 -0.20 5.38 0.40 -1.26 -2.31 117.98 123.45 2e5h s PHE 58 Ca 0.19 -0.73 -0.16 0.00 -0.60 0.00 0.00 56.93 55.63 2e5h s PHE 58 Cb -0.15 -2.13 -0.19 0.00 0.51 0.00 0.00 43.02 41.05 2e5h s PHE 58 CO 0.09 -0.88 0.13 -0.11 0.70 0.00 0.00 175.22 175.14 2e5h n LEU 59 N -2.06 2.12 -4.29 -0.37 7.94 -1.17 -4.63 117.00 114.53 2e5h n LEU 59 Ca 0.10 0.33 -0.32 0.00 -1.11 0.00 0.00 56.01 55.01 2e5h n LEU 59 Cb 0.62 -0.97 -0.16 0.00 0.53 0.00 0.00 43.42 43.44 2e5h n LEU 59 CO 0.40 0.50 -0.53 -0.62 -1.11 0.00 0.00 177.39 176.02 2e5h s ASP 60 N -6.99 3.32 0.23 1.96 2.15 -1.26 -5.02 116.67 111.05 2e5h s ASP 60 Ca -0.29 -0.46 -0.08 0.00 0.43 0.00 0.00 52.55 52.14 2e5h s ASP 60 Cb 0.08 -1.08 0.38 0.00 -0.30 0.00 0.00 42.92 42.00 2e5h s ASP 60 CO 0.62 0.23 1.65 0.50 -0.17 0.00 0.00 175.17 177.99 2e5h h LYS 61 N 6.22 0.13 -0.71 4.34 3.64 -1.91 0.95 116.57 129.22 2e5h h LYS 61 Ca -0.30 -0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.19 2e5h h LYS 61 Cb 1.19 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.90 2e5h h LYS 61 CO 0.49 0.08 0.31 -0.44 -2.27 0.00 0.00 179.45 177.62 2e5h h ASP 62 N 0.13 0.33 -0.92 4.20 3.32 -1.97 -0.49 116.42 121.03 2e5h h ASP 62 Ca 0.38 0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.57 2e5h h ASP 62 Cb 0.64 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.17 2e5h h ASP 62 CO -0.59 0.16 0.58 0.28 -1.72 0.00 0.00 179.24 177.96 2e5h h SER 63 N 0.49 0.94 0.07 6.45 0.02 -1.22 -2.38 113.55 117.91 2e5h h SER 63 Ca 0.37 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.33 2e5h h SER 63 Cb 0.49 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2e5h h SER 63 CO -0.34 0.61 -0.03 0.00 -1.14 0.00 0.00 176.83 175.93 2e5h h ALA 64 N 1.41 -0.09 -0.60 3.77 0.00 -0.71 -3.13 119.26 119.91 2e5h h ALA 64 Ca 0.39 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.27 2e5h h ALA 64 Cb 0.13 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.84 2e5h h ALA 64 CO -0.16 -0.40 -0.16 1.96 0.00 0.00 0.00 179.25 180.49 2e5h h GLN 65 N -0.38 -0.01 -0.09 0.00 1.08 -0.91 0.02 115.11 114.82 2e5h h GLN 65 Ca -0.01 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2e5h h GLN 65 Cb 0.33 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.72 2e5h h GLN 65 CO 0.01 -0.01 -0.40 -0.97 -0.95 0.00 0.00 178.83 176.52 2e5h h ASN 66 N -0.01 -1.27 -0.80 1.46 -1.24 -1.41 -1.42 115.58 110.88 2e5h h ASN 66 Ca 0.29 0.15 0.13 0.00 0.71 0.00 0.00 56.30 57.58 2e5h h ASN 66 Cb 0.45 0.49 -0.09 0.00 0.73 0.00 0.00 38.32 39.91 2e5h h ASN 66 CO -0.63 -0.36 0.40 0.00 -1.29 0.00 0.00 177.43 175.56 2e5h n THR 68 N -4.87 1.45 0.33 0.00 -1.04 -0.06 -0.17 114.28 109.92 2e5h n THR 68 Ca 0.15 0.61 0.04 0.00 -2.04 0.00 0.00 64.05 62.80 2e5h n THR 68 Cb 0.38 -1.61 -0.02 0.00 -1.82 0.00 0.00 70.33 67.25 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 -1.81 3.45 -0.10 -2.82 0.63 0.13 -3.88 116.66 112.25 2e5h n ARG 69 Ca -0.01 -0.26 -0.23 0.00 -0.92 0.00 0.00 57.85 56.43 2e5h n ARG 69 Cb 0.06 -0.92 -0.12 0.00 0.45 0.00 0.00 32.46 31.93 2e5h n ARG 69 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2e5h n ALA 70 N -0.74 0.88 0.01 5.13 0.00 0.76 -4.49 120.51 122.06 2e5h n ALA 70 Ca 0.02 -0.62 -0.09 0.00 0.00 0.00 0.00 53.44 52.75 2e5h n ALA 70 Cb 0.13 -0.45 -0.13 0.00 0.00 0.00 0.00 19.45 19.00 2e5h n ALA 70 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2e5h h ILE 71 N -0.85 1.13 -1.43 0.00 3.07 -1.58 -3.45 117.51 114.41 2e5h h ILE 71 Ca -0.43 -2.93 -0.72 0.00 1.55 0.00 0.00 64.86 62.34 2e5h h ILE 71 Cb 1.46 2.57 0.05 0.00 -0.27 0.00 0.00 36.82 40.64 2e5h h ILE 71 CO -0.21 0.67 0.32 -3.20 -1.05 0.00 0.00 178.15 174.68 2e5h n ASN 72 N -3.17 1.06 -3.41 2.16 2.85 -1.25 -0.25 115.26 113.24 2e5h n ASN 72 Ca -0.12 1.13 -0.23 0.00 -0.11 0.00 0.00 54.58 55.25 2e5h n ASN 72 Cb 1.02 -1.09 0.07 0.00 1.24 0.00 0.00 39.78 41.01 2e5h n ASN 72 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2e5h n ASN 73 N 2.20 -6.32 -4.22 1.20 3.02 -1.21 -4.94 115.26 104.99 2e5h n ASN 73 Ca 0.19 -0.46 -0.19 0.00 -0.03 0.00 0.00 54.58 54.08 2e5h n ASN 73 Cb 0.15 -5.00 -0.12 0.00 -0.61 0.00 0.00 39.78 34.20 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 -6.13 0.94 -0.34 3.52 2.47 0.65 -5.03 119.74 115.82 2e5h s LYS 74 Ca 0.50 -1.08 -0.13 0.00 -1.56 0.00 0.00 55.97 53.70 2e5h s LYS 74 Cb -0.22 -0.97 -0.02 0.00 -1.46 0.00 0.00 37.83 35.16 2e5h s LYS 74 CO 0.62 0.21 0.25 -0.65 0.16 0.00 0.00 175.35 175.94 2e5h s GLN 75 N -2.04 3.48 0.13 4.03 -0.21 -1.26 -0.60 119.66 123.19 2e5h s GLN 75 Ca 0.03 -0.65 0.10 0.00 0.02 0.00 0.00 55.36 54.86 2e5h s GLN 75 Cb -0.09 -3.82 -0.04 0.00 1.00 0.00 0.00 33.01 30.07 2e5h s GLN 75 CO 0.03 -0.46 -0.25 -0.51 -2.12 0.00 0.00 175.29 171.98 2e5h s LEU 76 N 1.73 2.34 -0.07 2.90 1.02 -1.18 -4.69 118.68 120.73 2e5h s LEU 76 Ca 0.06 -0.76 0.00 0.00 0.02 0.00 0.00 54.13 53.45 2e5h s LEU 76 Cb -0.17 -1.14 0.00 0.00 0.02 0.00 0.00 46.19 44.90 2e5h s LEU 76 CO 0.11 0.14 0.00 0.49 0.02 0.00 0.00 176.35 177.11 2e5h n PHE 77 N 0.83 -1.94 -3.01 0.29 3.01 -1.26 0.11 117.46 115.49 2e5h n PHE 77 Ca -0.17 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.16 2e5h n PHE 77 Cb 0.54 -1.12 0.05 0.00 -0.01 0.00 0.00 39.48 38.94 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 -0.51 0.01 3.15 1.37 0.00 -1.26 -4.99 105.19 102.96 2e5h n GLY 78 Ca -0.01 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.32 0.48 -0.52 1.61 1.70 0.30 -5.11 118.95 112.09 2e5h s ARG 79 Ca 0.18 0.70 -0.40 0.00 -0.47 0.00 0.00 55.73 55.75 2e5h s ARG 79 Cb -0.08 0.37 -0.17 0.00 -0.57 0.00 0.00 34.95 34.50 2e5h s ARG 79 CO 0.44 -0.66 2.23 0.28 -1.08 0.00 0.00 175.30 176.51 2e5h n VAL 80 N 5.41 0.04 -3.42 4.99 0.31 -1.26 -3.11 118.33 121.29 2e5h n VAL 80 Ca 0.01 -0.08 -0.38 0.00 -0.01 0.00 0.00 64.34 63.88 2e5h n VAL 80 Cb 0.53 -0.84 -0.06 0.00 -0.91 0.00 0.00 33.84 32.56 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 6.85 5.18 -0.11 2.52 1.01 0.23 -4.60 121.20 132.28 2e5h s ILE 81 Ca 1.19 0.82 -0.02 0.00 0.00 0.00 0.00 60.65 62.64 2e5h s ILE 81 Cb -1.28 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 37.42 2e5h s ILE 81 CO 0.59 0.41 -0.03 -0.54 0.00 0.00 0.00 174.94 175.37 2e5h s LYS 82 N 0.13 3.23 -0.02 2.79 3.01 -1.11 -3.36 119.74 124.41 2e5h s LYS 82 Ca 0.23 -0.48 0.06 0.00 -1.01 0.00 0.00 55.97 54.77 2e5h s LYS 82 Cb -0.15 -2.81 -0.01 0.00 -1.01 0.00 0.00 37.83 33.85 2e5h s LYS 82 CO 0.09 0.51 -0.19 0.00 0.51 0.00 0.00 175.35 176.27 2e5h s ALA 83 N -0.36 1.64 -0.17 5.17 0.00 -1.26 -1.44 121.76 125.35 2e5h s ALA 83 Ca 0.06 -0.83 -0.28 0.00 0.00 0.00 0.00 51.96 50.91 2e5h s ALA 83 Cb -0.12 -0.44 0.07 0.00 0.00 0.00 0.00 23.12 22.63 2e5h s ALA 83 CO 0.02 0.38 0.71 -1.12 0.00 0.00 0.00 175.76 175.76 2e5h s SER 84 N -0.36 -0.69 -0.17 0.00 0.01 -0.39 -4.81 113.70 107.29 2e5h s SER 84 Ca 0.05 1.08 -0.29 0.00 1.31 0.00 0.00 55.95 58.10 2e5h s SER 84 Cb -0.09 1.01 -0.05 0.00 0.21 0.00 0.00 66.02 67.10 2e5h s SER 84 CO -0.00 -0.42 2.04 -0.63 0.41 0.00 0.00 173.24 174.65 2e5h s ILE 85 N -0.38 3.14 -0.20 1.44 -1.09 -1.26 -0.46 121.20 122.39 2e5h s ILE 85 Ca -0.05 0.15 -0.24 0.00 -2.23 0.00 0.00 60.65 58.28 2e5h s ILE 85 Cb -0.03 -3.16 -0.01 0.00 -1.58 0.00 0.00 42.46 37.68 2e5h s ILE 85 CO 0.05 -0.08 0.80 0.00 -1.23 0.00 0.00 174.94 174.48 2e5h s ALA 86 N 6.90 3.57 0.00 9.38 0.00 -1.20 -4.83 121.76 135.58 2e5h s ALA 86 Ca 0.92 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.80 2e5h s ALA 86 Cb -0.33 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2e5h s ALA 86 CO 0.36 -0.75 0.01 0.44 0.00 0.00 0.00 175.76 175.81