#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5h n SER -5 N 0.00 1.25 -4.58 1.61 3.41 -1.26 -4.83 113.62 109.23 2e5h n SER -5 Ca 0.00 0.21 -0.20 0.00 -0.26 0.00 0.00 58.87 58.63 2e5h n SER -5 Cb 0.00 -0.51 -0.09 0.00 -0.26 0.00 0.00 64.21 63.35 2e5h n SER -5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2e5h s SER -4 N -6.48 4.09 0.00 4.04 0.15 -1.26 -4.26 113.70 109.98 2e5h s SER -4 Ca -0.23 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 55.33 2e5h s SER -4 Cb 0.09 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2e5h s SER -4 CO 0.30 -4.03 0.00 0.61 1.20 0.00 0.00 173.24 171.32 2e5h n GLY -3 N 6.15 1.37 1.44 9.45 0.00 -1.26 -5.11 105.19 117.23 2e5h n GLY -3 Ca 0.43 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2e5h n GLY -3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2e5h n SER -2 N 0.00 0.09 0.01 1.61 7.64 -1.26 -4.86 113.62 116.85 2e5h n SER -2 Ca 0.00 0.05 -0.10 0.00 1.01 0.00 0.00 58.87 59.83 2e5h n SER -2 Cb 0.00 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.16 2e5h n SER -2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2e5h h SER -1 N 0.00 -0.76 -0.07 6.43 0.87 -1.95 -3.47 113.55 114.59 2e5h h SER -1 Ca 0.00 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2e5h h SER -1 Cb 0.47 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 2e5h h SER -1 CO 0.00 -0.30 0.00 0.61 -0.53 0.00 0.00 176.83 176.61 2e5h n GLY 0 N -1.37 0.80 3.51 5.77 0.00 -1.26 -4.89 105.19 107.75 2e5h n GLY 0 Ca -0.03 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 2e5h n GLY 0 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2e5h s MET 1 N 0.00 0.61 -0.49 1.61 0.00 -1.26 -5.04 119.30 114.73 2e5h s MET 1 Ca 0.00 1.05 -0.02 0.00 0.00 0.00 0.00 55.69 56.72 2e5h s MET 1 Cb 0.00 0.10 0.28 0.00 0.00 0.00 0.00 34.83 35.21 2e5h s MET 1 CO 0.00 -0.15 2.13 0.43 0.00 0.00 0.00 175.02 177.43 2e5h n SER 2 N 4.16 6.95 0.00 -1.18 7.64 -1.26 -4.82 113.62 125.11 2e5h n SER 2 Ca -0.21 -3.38 0.00 0.00 1.01 0.00 0.00 58.87 56.30 2e5h n SER 2 Cb 0.57 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 2e5h n SER 2 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e5h n GLY 3 N -0.05 2.87 3.67 0.23 0.00 -1.26 -5.06 105.19 105.58 2e5h n GLY 3 Ca 0.45 -0.78 -0.45 0.00 0.00 0.00 0.00 46.02 45.24 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 0.89 3.60 -0.02 0.00 -1.26 -4.96 105.19 103.43 2e5h n GLY 4 Ca 0.00 0.56 -0.36 0.00 0.00 0.00 0.00 46.02 46.22 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 0.39 3.84 -0.33 0.99 1.98 -1.26 -4.47 118.68 119.81 2e5h s LEU 5 Ca 0.72 0.02 -0.00 0.00 -2.89 0.00 0.00 54.13 51.98 2e5h s LEU 5 Cb -0.67 -2.01 0.00 0.00 0.66 0.00 0.00 46.19 44.17 2e5h s LEU 5 CO 0.45 0.07 0.28 0.00 -1.89 0.00 0.00 176.35 175.26 2e5h n ALA 6 N 4.22 -0.55 -2.05 5.97 0.00 -1.26 -4.95 120.51 121.89 2e5h n ALA 6 Ca -0.16 -0.01 -0.39 0.00 0.00 0.00 0.00 53.44 52.88 2e5h n ALA 6 Cb 0.52 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 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 -4.40 2.78 0.70 0.00 0.04 -1.26 -4.98 135.00 127.88 2e5h s PRO 7 Ca 0.00 0.75 -0.03 0.00 0.04 0.00 0.00 61.00 61.77 2e5h s PRO 7 Cb -0.00 -4.34 0.10 0.00 0.04 0.00 0.00 34.50 30.30 2e5h s PRO 7 CO 0.20 -2.54 0.98 -1.54 0.04 0.00 0.00 177.00 174.15 2e5h s SER 8 N 7.58 4.52 -0.02 6.66 1.04 -1.25 -4.40 113.70 127.83 2e5h s SER 8 Ca 0.69 -0.05 -0.23 0.00 0.48 0.00 0.00 55.95 56.84 2e5h s SER 8 Cb -0.14 -0.46 -0.16 0.00 0.10 0.00 0.00 66.02 65.36 2e5h s SER 8 CO 0.23 -1.74 1.04 0.11 0.98 0.00 0.00 173.24 173.86 2e5h h LYS 9 N -0.52 -0.32 -0.99 4.02 1.57 -1.94 -3.25 116.57 115.12 2e5h h LYS 9 Ca -0.40 0.02 0.23 0.00 -1.87 0.00 0.00 60.65 58.63 2e5h h LYS 9 Cb 1.28 0.07 -0.19 0.00 0.08 0.00 0.00 32.23 33.48 2e5h h LYS 9 CO 0.47 0.04 -0.13 0.66 -0.57 0.00 0.00 179.45 179.91 2e5h h SER 10 N -0.83 -0.74 -2.85 0.86 4.64 -1.88 -3.40 113.55 109.36 2e5h h SER 10 Ca -0.03 0.29 -0.59 0.00 -0.47 0.00 0.00 61.79 60.99 2e5h h SER 10 Cb 0.51 0.56 0.11 0.00 -0.31 0.00 0.00 62.40 63.28 2e5h h SER 10 CO 0.06 -0.34 0.28 0.41 -0.87 0.00 0.00 176.83 176.37 2e5h n THR 11 N -5.57 2.03 -4.08 2.95 -1.04 -1.23 -3.65 114.28 103.69 2e5h n THR 11 Ca 0.19 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.05 61.38 2e5h n THR 11 Cb 0.61 -1.24 -0.15 0.00 -1.82 0.00 0.00 70.33 67.73 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 -1.09 2.10 -0.63 12.58 1.01 0.16 -3.90 120.40 130.63 2e5h s VAL 12 Ca 0.58 -1.42 -0.26 0.00 0.00 0.00 0.00 61.98 60.87 2e5h s VAL 12 Cb -0.64 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 2e5h s VAL 12 CO 0.61 0.12 1.93 -0.47 0.00 0.00 0.00 175.10 177.29 2e5h s TYR 13 N 1.17 1.61 -0.16 5.22 6.14 -0.20 -2.08 117.35 129.05 2e5h s TYR 13 Ca -0.05 0.86 -0.01 0.00 0.64 0.00 0.00 57.07 58.51 2e5h s TYR 13 Cb -0.18 -4.03 -0.01 0.00 0.42 0.00 0.00 41.96 38.16 2e5h s TYR 13 CO -0.07 -2.26 -0.11 0.08 0.64 0.00 0.00 175.55 173.83 2e5h s VAL 14 N 9.58 3.10 0.42 3.14 1.01 0.03 -1.37 120.40 136.31 2e5h s VAL 14 Ca 0.71 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 62.12 2e5h s VAL 14 Cb -0.12 -2.34 -0.07 0.00 0.00 0.00 0.00 36.38 33.85 2e5h s VAL 14 CO 0.19 0.50 0.01 -0.44 0.00 0.00 0.00 175.10 175.36 2e5h s SER 15 N 0.71 3.80 -1.35 3.32 0.01 -0.59 0.08 113.70 119.66 2e5h s SER 15 Ca -0.05 -1.41 -0.02 0.00 1.31 0.00 0.00 55.95 55.78 2e5h s SER 15 Cb -0.15 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.84 2e5h s SER 15 CO 0.02 -0.52 0.22 0.59 0.41 0.00 0.00 173.24 173.96 2e5h n ASN 16 N -0.99 -5.09 -4.81 2.44 4.13 -1.23 -2.94 115.26 106.77 2e5h n ASN 16 Ca -0.07 -0.11 -0.37 0.00 1.68 0.00 0.00 54.58 55.71 2e5h n ASN 16 Cb 0.67 -4.08 -0.06 0.00 -1.54 0.00 0.00 39.78 34.77 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 -5.12 4.43 -1.19 3.41 1.43 -0.92 -4.59 118.68 116.14 2e5h s LEU 17 Ca 0.11 1.36 -0.23 0.00 -1.03 0.00 0.00 54.13 54.35 2e5h s LEU 17 Cb -0.05 -3.31 -0.09 0.00 0.03 0.00 0.00 46.19 42.77 2e5h s LEU 17 CO 0.14 0.14 1.94 -0.81 0.23 0.00 0.00 176.35 177.98 2e5h n PRO 18 N 1.14 1.60 -0.60 1.29 -0.04 -1.26 -4.01 135.00 133.11 2e5h n PRO 18 Ca -0.05 -2.47 0.47 0.00 -0.04 0.00 0.00 63.50 61.40 2e5h n PRO 18 Cb 0.51 -3.74 0.72 0.00 -0.04 0.00 0.00 33.50 30.95 2e5h n PRO 18 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2e5h n PHE 19 N 14.44 0.00 -0.32 0.54 1.16 -1.26 -0.44 117.46 131.57 2e5h n PHE 19 Ca 0.45 0.00 0.24 0.00 -1.87 0.00 0.00 57.45 56.26 2e5h n PHE 19 Cb 0.47 -0.43 0.44 0.00 -1.61 0.00 0.00 39.48 38.34 2e5h n PHE 19 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2e5h n SER 20 N -3.70 0.13 -3.30 5.98 2.88 -1.26 -4.42 113.62 109.93 2e5h n SER 20 Ca 0.39 1.64 -0.23 0.00 -1.33 0.00 0.00 58.87 59.34 2e5h n SER 20 Cb 1.84 -0.70 0.20 0.00 -0.75 0.00 0.00 64.21 64.79 2e5h n SER 20 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2e5h n LEU 21 N -5.32 0.00 -4.32 2.46 4.77 0.42 -5.08 117.00 109.93 2e5h n LEU 21 Ca 0.31 -0.87 -0.17 0.00 -0.03 0.00 0.00 56.01 55.24 2e5h n LEU 21 Cb 1.03 -0.77 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 2e5h n LEU 21 CO -0.03 -1.96 -0.42 0.28 -1.33 0.00 0.00 177.39 173.93 2e5h s THR 22 N -2.46 1.52 0.18 -5.08 -1.32 -1.26 -5.00 115.64 102.22 2e5h s THR 22 Ca 0.54 -2.15 -0.10 0.00 -1.21 0.00 0.00 61.69 58.77 2e5h s THR 22 Cb -0.06 -2.01 0.24 0.00 -1.51 0.00 0.00 72.50 69.16 2e5h s THR 22 CO 0.42 -0.62 1.10 -0.46 -2.21 0.00 0.00 174.62 172.85 2e5h n ASN 23 N -0.33 -0.37 -0.04 8.08 6.94 -1.26 0.11 115.26 128.38 2e5h n ASN 23 Ca -0.08 1.23 -0.09 0.00 -0.02 0.00 0.00 54.58 55.62 2e5h n ASN 23 Cb 0.61 -0.32 -0.02 0.00 -2.36 0.00 0.00 39.78 37.68 2e5h n ASN 23 CO 0.00 0.00 0.00 -1.13 -1.03 0.00 0.00 177.26 175.10 2e5h h ASN 24 N 0.00 -0.80 -0.08 0.53 -0.73 -2.00 -1.26 115.58 111.24 2e5h h ASN 24 Ca 0.29 0.14 0.02 0.00 1.87 0.00 0.00 56.30 58.61 2e5h h ASN 24 Cb 0.46 0.37 -0.05 0.00 0.27 0.00 0.00 38.32 39.38 2e5h h ASN 24 CO -0.71 -0.29 -0.40 0.44 -0.37 0.00 0.00 177.43 176.10 2e5h h ASP 25 N -0.27 -1.26 -0.66 1.15 5.19 0.33 -1.93 116.42 118.97 2e5h h ASP 25 Ca 0.13 0.15 0.13 0.00 -0.62 0.00 0.00 57.03 56.81 2e5h h ASP 25 Cb 0.47 0.49 -0.13 0.00 0.18 0.00 0.00 39.33 40.34 2e5h h ASP 25 CO -0.37 -0.36 -0.19 -0.07 -3.12 0.00 0.00 179.24 175.12 2e5h h LEU 26 N -0.44 -0.70 -0.64 1.55 3.38 -1.16 0.16 115.31 117.45 2e5h h LEU 26 Ca 0.02 0.20 0.12 0.00 0.09 0.00 0.00 57.88 58.32 2e5h h LEU 26 Cb 0.51 0.44 -0.12 0.00 0.09 0.00 0.00 40.66 41.57 2e5h h LEU 26 CO -0.31 -0.24 -0.27 0.22 0.09 0.00 0.00 178.44 177.94 2e5h h TYR 27 N -0.03 -0.69 0.46 1.13 5.03 -0.49 0.20 116.97 122.58 2e5h h TYR 27 Ca 0.31 0.07 -0.02 0.00 2.58 0.00 0.00 58.73 61.66 2e5h h TYR 27 Cb 0.50 0.40 0.00 0.00 1.55 0.00 0.00 36.73 39.18 2e5h h TYR 27 CO -0.56 -0.35 -0.22 0.00 -1.32 0.00 0.00 178.16 175.71 2e5h h ARG 28 N -0.09 -0.60 -0.97 1.82 3.08 -0.50 -1.04 114.38 116.09 2e5h h ARG 28 Ca 0.28 0.04 0.18 0.00 0.07 0.00 0.00 59.98 60.55 2e5h h ARG 28 Cb 0.54 0.14 -0.18 0.00 0.08 0.00 0.00 29.97 30.55 2e5h h ARG 28 CO -0.70 -0.30 -0.28 -0.89 -1.07 0.00 0.00 179.97 176.73 2e5h n ILE 29 N -5.22 -0.44 0.18 2.04 5.41 0.38 0.21 119.36 121.93 2e5h n ILE 29 Ca -0.10 2.24 0.05 0.00 1.00 0.00 0.00 62.75 65.94 2e5h n ILE 29 Cb 0.30 -3.05 0.29 0.00 -0.71 0.00 0.00 39.64 36.47 2e5h n ILE 29 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2e5h h PHE 30 N 0.00 0.00 -0.94 1.39 -1.00 -1.01 -3.14 116.94 112.24 2e5h h PHE 30 Ca 0.43 0.00 0.22 0.00 2.81 0.00 0.00 57.97 61.43 2e5h h PHE 30 Cb 0.67 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.16 2e5h h PHE 30 CO -0.78 0.39 0.62 1.03 -1.61 0.00 0.00 178.31 177.96 2e5h h SER 31 N 0.00 0.41 -0.05 2.17 0.87 0.39 0.14 113.55 117.48 2e5h h SER 31 Ca -0.00 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.62 2e5h h SER 31 Cb 0.97 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.90 2e5h h SER 31 CO 0.05 0.14 0.64 0.07 -0.53 0.00 0.00 176.83 177.20 2e5h h LYS 32 N 0.40 0.00 0.00 2.24 2.10 -1.46 -2.44 116.57 117.41 2e5h h LYS 32 Ca 0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.15 2e5h h LYS 32 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2e5h h LYS 32 CO -0.20 0.00 -0.88 0.66 -2.00 0.00 0.00 179.45 177.03 2e5h n TYR 33 N -2.78 0.00 -3.76 0.07 4.01 0.49 -5.07 117.16 110.12 2e5h n TYR 33 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 2e5h n TYR 33 Cb 0.68 -0.44 -0.09 0.00 -0.31 0.00 0.00 39.34 39.18 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 -4.78 -0.19 0.20 2.72 0.00 -0.92 -5.01 107.32 99.34 2e5h s GLY 34 Ca -0.26 0.51 -0.32 0.00 0.00 0.00 0.00 44.72 44.66 2e5h s GLY 34 CO 0.38 0.32 1.11 1.17 0.00 0.00 0.00 173.10 176.09 2e5h n LYS 35 N 1.72 1.19 -3.90 2.90 4.81 -1.26 -4.16 118.16 119.46 2e5h n LYS 35 Ca -0.19 0.42 -0.37 0.00 -0.87 0.00 0.00 58.31 57.30 2e5h n LYS 35 Cb 0.56 -1.88 -0.06 0.00 0.02 0.00 0.00 35.03 33.67 2e5h n LYS 35 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2e5h s VAL 36 N -0.41 5.47 -0.20 3.15 1.01 -1.26 -2.22 120.40 125.94 2e5h s VAL 36 Ca 0.69 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.83 2e5h s VAL 36 Cb -0.82 -3.39 -0.12 0.00 0.00 0.00 0.00 36.38 32.06 2e5h s VAL 36 CO 0.54 0.61 -0.21 0.52 0.00 0.00 0.00 175.10 176.56 2e5h n VAL 37 N 1.95 1.15 -3.74 2.92 0.31 -1.05 -4.87 118.33 114.99 2e5h n VAL 37 Ca -0.20 -0.39 -0.13 0.00 -0.01 0.00 0.00 64.34 63.61 2e5h n VAL 37 Cb 0.55 -1.38 -0.10 0.00 -0.91 0.00 0.00 33.84 32.00 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 -2.40 0.50 -0.11 5.55 1.02 -1.23 -5.08 119.74 117.99 2e5h s LYS 38 Ca -0.28 0.36 -0.04 0.00 0.02 0.00 0.00 55.97 56.04 2e5h s LYS 38 Cb 0.08 0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.59 2e5h s LYS 38 CO 0.43 -0.09 0.04 0.08 -0.92 0.00 0.00 175.35 174.90 2e5h s VAL 39 N -0.16 4.67 -0.01 3.17 1.01 -1.26 -1.62 120.40 126.20 2e5h s VAL 39 Ca -0.03 -0.10 0.05 0.00 0.00 0.00 0.00 61.98 61.90 2e5h s VAL 39 Cb -0.03 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 2e5h s VAL 39 CO 0.02 0.58 -0.18 -0.89 0.00 0.00 0.00 175.10 174.63 2e5h s THR 40 N -0.68 1.39 0.00 3.92 2.01 0.15 -4.96 115.64 117.46 2e5h s THR 40 Ca 0.11 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.34 2e5h s THR 40 Cb -0.12 -1.16 -0.00 0.00 0.01 0.00 0.00 72.50 71.23 2e5h s THR 40 CO 0.02 0.37 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.68 2e5h s ILE 41 N -0.44 0.11 0.78 1.82 1.01 -1.26 0.55 121.20 123.76 2e5h s ILE 41 Ca 0.07 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.46 2e5h s ILE 41 Cb -0.07 -0.12 0.06 0.00 0.01 0.00 0.00 42.46 42.34 2e5h s ILE 41 CO -0.01 -0.02 1.09 -0.04 0.00 0.00 0.00 174.94 175.96 2e5h s MET 42 N -0.18 2.26 -0.23 2.79 -1.94 -0.81 -4.90 119.30 116.29 2e5h s MET 42 Ca -0.01 0.70 -0.03 0.00 -1.71 0.00 0.00 55.69 54.64 2e5h s MET 42 Cb -0.01 -1.93 0.12 0.00 2.01 0.00 0.00 34.83 35.01 2e5h s MET 42 CO -0.00 -1.51 0.34 0.15 -0.01 0.00 0.00 175.02 173.99 2e5h s LYS 43 N -5.14 0.30 1.14 2.03 3.01 -1.26 -3.91 119.74 115.91 2e5h s LYS 43 Ca 0.60 0.49 -0.17 0.00 -1.01 0.00 0.00 55.97 55.89 2e5h s LYS 43 Cb -0.14 -0.59 0.20 0.00 -1.01 0.00 0.00 37.83 36.29 2e5h s LYS 43 CO 0.54 -0.61 0.39 -3.47 0.51 0.00 0.00 175.35 172.71 2e5h n ASP 44 N 5.35 -3.05 -0.07 2.83 2.03 0.12 -4.79 116.55 118.97 2e5h n ASP 44 Ca -0.04 -0.42 -0.07 0.00 0.52 0.00 0.00 54.79 54.78 2e5h n ASP 44 Cb 0.50 -0.88 -0.02 0.00 -0.72 0.00 0.00 41.12 40.00 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 -2.78 0.44 0.00 -0.67 5.02 -1.26 -3.73 118.16 115.18 2e5h n LYS 45 Ca 0.06 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 2e5h n LYS 45 Cb 0.47 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 2e5h n LYS 45 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2e5h n ASP 46 N -4.20 0.00 0.22 4.39 9.92 -1.26 -3.71 116.55 121.92 2e5h n ASP 46 Ca -0.11 0.77 0.07 0.00 -0.53 0.00 0.00 54.79 55.00 2e5h n ASP 46 Cb 0.41 -0.42 0.53 0.00 -0.64 0.00 0.00 41.12 40.99 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 0.92 -5.76 -3.53 1.35 -2.00 -3.46 112.91 100.42 2e5h h THR 47 Ca 0.00 -0.88 -0.36 0.00 -0.55 0.00 0.00 66.41 64.62 2e5h h THR 47 Cb 0.00 1.51 0.14 0.00 -1.73 0.00 0.00 68.15 68.07 2e5h h THR 47 CO 0.00 0.23 -0.76 -1.14 -0.25 0.00 0.00 175.52 173.60 2e5h n ARG 48 N -3.90 -6.58 -4.41 4.72 0.63 -1.24 -4.96 116.66 100.92 2e5h n ARG 48 Ca -0.02 0.81 -0.26 0.00 -0.92 0.00 0.00 57.85 57.46 2e5h n ARG 48 Cb 0.32 -5.76 -0.11 0.00 0.45 0.00 0.00 32.46 27.36 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 -5.64 1.70 0.26 -0.14 -0.14 -1.26 -4.59 119.74 109.92 2e5h s LYS 49 Ca 0.12 -1.55 -0.03 0.00 -1.36 0.00 0.00 55.97 53.15 2e5h s LYS 49 Cb -0.05 -1.89 0.32 0.00 -1.68 0.00 0.00 37.83 34.52 2e5h s LYS 49 CO 0.74 0.38 1.79 1.03 -0.76 0.00 0.00 175.35 178.54 2e5h h SER 50 N 2.82 0.86 -1.71 2.83 0.87 -1.91 0.37 113.55 117.69 2e5h h SER 50 Ca -0.45 -0.16 -0.36 0.00 -1.23 0.00 0.00 61.79 59.59 2e5h h SER 50 Cb 1.22 -0.23 -0.08 0.00 -0.44 0.00 0.00 62.40 62.88 2e5h h SER 50 CO 0.53 0.84 -0.40 0.29 -0.53 0.00 0.00 176.83 177.56 2e5h n LYS 51 N -4.26 -1.34 0.00 2.24 5.02 -1.26 -2.41 118.16 116.15 2e5h n LYS 51 Ca 0.04 1.00 0.00 0.00 -2.02 0.00 0.00 58.31 57.34 2e5h n LYS 51 Cb 0.24 -5.38 0.00 0.00 -0.02 0.00 0.00 35.03 29.87 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 1.93 3.67 0.72 0.00 -1.26 -4.55 105.19 104.80 2e5h n GLY 52 Ca -0.20 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2e5h n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2e5h s VAL 53 N -0.16 3.02 0.15 1.61 1.01 -1.01 -2.15 120.40 122.87 2e5h s VAL 53 Ca 0.00 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.97 2e5h s VAL 53 Cb 0.00 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.31 2e5h s VAL 53 CO 0.00 -0.01 0.43 0.00 0.00 0.00 0.00 175.10 175.52 2e5h s ALA 54 N 4.04 -0.83 -0.05 5.51 0.00 0.11 -1.93 121.76 128.61 2e5h s ALA 54 Ca 0.84 -0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.64 2e5h s ALA 54 Cb -0.42 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.47 2e5h s ALA 54 CO 0.39 -0.70 -0.16 -0.06 0.00 0.00 0.00 175.76 175.23 2e5h s PHE 55 N -3.84 1.67 -0.16 0.00 0.40 0.19 -0.79 117.98 115.45 2e5h s PHE 55 Ca 0.06 -0.53 -0.03 0.00 -0.60 0.00 0.00 56.93 55.83 2e5h s PHE 55 Cb 0.01 -1.15 -0.02 0.00 0.51 0.00 0.00 43.02 42.37 2e5h s PHE 55 CO -0.08 -0.21 -0.06 0.42 0.70 0.00 0.00 175.22 175.99 2e5h s ILE 56 N 0.23 3.65 -0.26 0.64 -1.09 -0.88 0.30 121.20 123.80 2e5h s ILE 56 Ca -0.08 -0.44 -0.12 0.00 -2.23 0.00 0.00 60.65 57.78 2e5h s ILE 56 Cb -0.13 -2.60 -0.05 0.00 -1.58 0.00 0.00 42.46 38.11 2e5h s ILE 56 CO 0.03 0.49 0.26 -0.22 -1.23 0.00 0.00 174.94 174.27 2e5h s LEU 57 N 0.49 4.07 0.13 2.97 0.20 -0.64 0.36 118.68 126.25 2e5h s LEU 57 Ca -0.05 0.17 0.03 0.00 0.69 0.00 0.00 54.13 54.97 2e5h s LEU 57 Cb -0.15 -2.25 -0.04 0.00 -0.43 0.00 0.00 46.19 43.33 2e5h s LEU 57 CO 0.03 -0.05 0.20 -0.36 -0.29 0.00 0.00 176.35 175.88 2e5h s PHE 58 N 1.58 3.36 0.11 5.38 0.40 -1.24 -2.53 117.98 125.05 2e5h s PHE 58 Ca 0.11 0.10 -0.30 0.00 -0.60 0.00 0.00 56.93 56.24 2e5h s PHE 58 Cb -0.15 -1.64 -0.09 0.00 0.51 0.00 0.00 43.02 41.65 2e5h s PHE 58 CO 0.08 0.53 1.60 1.25 0.70 0.00 0.00 175.22 179.39 2e5h h LEU 59 N 2.54 -1.10 -8.53 -0.37 5.85 -1.78 -3.42 115.31 108.50 2e5h h LEU 59 Ca -0.47 0.12 -0.68 0.00 0.84 0.00 0.00 57.88 57.69 2e5h h LEU 59 Cb 1.19 0.41 -0.30 0.00 0.37 0.00 0.00 40.66 42.33 2e5h h LEU 59 CO 0.68 -0.46 -0.85 -0.62 -0.34 0.00 0.00 178.44 176.85 2e5h s ASP 60 N -4.73 3.33 0.29 1.25 2.15 -1.26 -5.02 116.67 112.69 2e5h s ASP 60 Ca -0.16 -0.45 0.02 0.00 0.43 0.00 0.00 52.55 52.39 2e5h s ASP 60 Cb 0.08 -1.05 0.73 0.00 -0.30 0.00 0.00 42.92 42.38 2e5h s ASP 60 CO 0.64 0.23 1.63 0.07 -0.17 0.00 0.00 175.17 177.57 2e5h h LYS 61 N 6.17 0.16 -0.85 4.34 2.10 -1.89 -1.32 116.57 125.28 2e5h h LYS 61 Ca -0.31 -0.01 0.08 0.00 -2.00 0.00 0.00 60.65 58.41 2e5h h LYS 61 Cb 1.19 -0.04 -0.10 0.00 -0.90 0.00 0.00 32.23 32.38 2e5h h LYS 61 CO 0.49 0.11 -0.51 -0.44 -2.00 0.00 0.00 179.45 177.10 2e5h h ASP 62 N 0.16 -1.86 -0.47 7.07 3.32 -1.96 0.14 116.42 122.82 2e5h h ASP 62 Ca 0.57 0.28 0.10 0.00 0.02 0.00 0.00 57.03 57.99 2e5h h ASP 62 Cb 1.16 0.82 -0.09 0.00 0.22 0.00 0.00 39.33 41.44 2e5h h ASP 62 CO -0.70 -0.20 -0.15 0.77 -1.72 0.00 0.00 179.24 177.24 2e5h h SER 63 N -0.00 -0.55 -0.30 6.45 4.64 -1.63 -2.26 113.55 119.90 2e5h h SER 63 Ca 0.14 0.15 0.04 0.00 -0.47 0.00 0.00 61.79 61.65 2e5h h SER 63 Cb 0.35 0.33 -0.08 0.00 -0.31 0.00 0.00 62.40 62.70 2e5h h SER 63 CO -0.80 -0.19 -0.55 0.00 -0.87 0.00 0.00 176.83 174.42 2e5h h ALA 64 N 1.38 -0.81 -0.74 5.18 0.00 -0.70 -1.27 119.26 122.30 2e5h h ALA 64 Ca 0.23 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.26 2e5h h ALA 64 Cb 0.39 1.07 -0.14 0.00 0.00 0.00 0.00 17.79 19.11 2e5h h ALA 64 CO -0.51 -1.06 -0.25 1.96 0.00 0.00 0.00 179.25 179.39 2e5h h GLN 65 N -0.47 -0.04 0.14 0.00 7.50 -0.69 0.21 115.11 121.76 2e5h h GLN 65 Ca 0.06 0.00 0.01 0.00 0.50 0.00 0.00 58.65 59.22 2e5h h GLN 65 Cb 0.63 0.01 -0.03 0.00 0.05 0.00 0.00 27.48 28.14 2e5h h GLN 65 CO -0.53 -0.03 -0.39 -0.97 -1.50 0.00 0.00 178.83 175.41 2e5h h ASN 66 N -0.04 -1.17 -0.88 1.46 -1.24 -0.94 -2.07 115.58 110.70 2e5h h ASN 66 Ca 0.33 0.12 0.15 0.00 0.71 0.00 0.00 56.30 57.61 2e5h h ASN 66 Cb 0.56 0.42 -0.10 0.00 0.73 0.00 0.00 38.32 39.94 2e5h h ASN 66 CO -0.78 -0.43 0.47 0.00 -1.29 0.00 0.00 177.43 175.40 2e5h h THR 68 N 0.66 0.00 0.00 0.00 2.02 0.10 1.00 112.91 116.69 2e5h h THR 68 Ca 0.48 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.58 2e5h h THR 68 Cb 0.68 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2e5h h THR 68 CO -0.36 0.00 -1.45 -1.14 0.37 0.00 0.00 175.52 172.94 2e5h n ARG 69 N -2.16 1.74 -0.05 6.66 0.63 0.11 -3.76 116.66 119.83 2e5h n ARG 69 Ca -0.01 -0.03 -0.13 0.00 -0.92 0.00 0.00 57.85 56.75 2e5h n ARG 69 Cb 0.27 -1.19 -0.07 0.00 0.45 0.00 0.00 32.46 31.91 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 0.52 0.21 0.02 5.13 0.00 0.92 -3.31 119.26 122.75 2e5h h ALA 70 Ca -0.12 -0.35 -0.29 0.00 0.00 0.00 0.00 54.91 54.16 2e5h h ALA 70 Cb 1.01 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2e5h h ALA 70 CO 0.01 0.13 -1.63 -0.84 0.00 0.00 0.00 179.25 176.91 2e5h h ILE 71 N -0.01 0.96 -2.49 0.00 3.07 -1.45 -3.46 117.51 114.12 2e5h h ILE 71 Ca 0.02 -2.77 -0.61 0.00 1.55 0.00 0.00 64.86 63.05 2e5h h ILE 71 Cb 0.73 2.51 0.11 0.00 -0.27 0.00 0.00 36.82 39.89 2e5h h ILE 71 CO 0.04 0.61 0.18 -3.20 -1.05 0.00 0.00 178.15 174.74 2e5h n ASN 72 N -3.16 1.46 -3.69 2.16 5.15 -1.25 -1.83 115.26 114.10 2e5h n ASN 72 Ca -0.16 1.18 -0.23 0.00 -0.60 0.00 0.00 54.58 54.76 2e5h n ASN 72 Cb 1.04 -1.30 0.05 0.00 -0.53 0.00 0.00 39.78 39.04 2e5h n ASN 72 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2e5h n ASN 73 N 1.28 -3.40 -3.93 1.20 5.15 -1.23 -4.90 115.26 109.43 2e5h n ASN 73 Ca 0.10 -0.71 -0.10 0.00 -0.60 0.00 0.00 54.58 53.27 2e5h n ASN 73 Cb 0.32 -4.42 -0.10 0.00 -0.53 0.00 0.00 39.78 35.05 2e5h n ASN 73 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2e5h s LYS 74 N -6.10 0.47 -0.25 1.20 2.47 -0.76 -5.06 119.74 111.71 2e5h s LYS 74 Ca 0.30 -0.61 -0.13 0.00 -1.56 0.00 0.00 55.97 53.98 2e5h s LYS 74 Cb -0.14 0.18 -0.04 0.00 -1.46 0.00 0.00 37.83 36.36 2e5h s LYS 74 CO 0.78 -0.10 0.27 -0.65 0.16 0.00 0.00 175.35 175.81 2e5h s GLN 75 N -1.88 4.05 -0.07 4.03 -0.21 -1.26 -1.85 119.66 122.47 2e5h s GLN 75 Ca -0.11 -0.10 0.02 0.00 0.02 0.00 0.00 55.36 55.18 2e5h s GLN 75 Cb -0.06 -3.59 0.02 0.00 1.00 0.00 0.00 33.01 30.38 2e5h s GLN 75 CO -0.02 -0.09 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.45 2e5h s LEU 76 N 1.51 1.55 -1.47 2.90 1.02 -1.11 -4.77 118.68 118.32 2e5h s LEU 76 Ca 0.12 -0.27 -0.08 0.00 0.02 0.00 0.00 54.13 53.92 2e5h s LEU 76 Cb -0.15 -0.77 0.03 0.00 0.02 0.00 0.00 46.19 45.32 2e5h s LEU 76 CO 0.08 0.00 0.83 0.49 0.02 0.00 0.00 176.35 177.77 2e5h n PHE 77 N 3.96 -2.29 -3.30 0.29 3.01 -1.26 -2.52 117.46 115.35 2e5h n PHE 77 Ca -0.22 0.73 -0.16 0.00 1.01 0.00 0.00 57.45 58.81 2e5h n PHE 77 Cb 0.51 -4.43 0.08 0.00 -0.01 0.00 0.00 39.48 35.64 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 -1.66 -0.59 3.20 1.37 0.00 -1.26 -4.99 105.19 101.25 2e5h n GLY 78 Ca -0.04 0.24 0.04 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.96 0.17 -0.14 1.61 1.70 -1.05 -5.12 118.95 111.16 2e5h s ARG 79 Ca 0.15 0.34 -0.33 0.00 -0.47 0.00 0.00 55.73 55.42 2e5h s ARG 79 Cb -0.02 0.20 -0.11 0.00 -0.57 0.00 0.00 34.95 34.45 2e5h s ARG 79 CO 0.70 -0.14 1.97 0.28 -1.08 0.00 0.00 175.30 177.03 2e5h n VAL 80 N 5.26 0.51 -3.86 4.99 0.31 -1.26 -2.73 118.33 121.54 2e5h n VAL 80 Ca -0.07 -0.17 -0.37 0.00 -0.01 0.00 0.00 64.34 63.71 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 5.10 5.50 -0.14 2.52 1.01 -0.77 -4.64 121.20 129.77 2e5h s ILE 81 Ca 0.96 0.21 -0.02 0.00 0.00 0.00 0.00 60.65 61.80 2e5h s ILE 81 Cb -0.66 -3.41 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 2e5h s ILE 81 CO 0.49 0.60 -0.08 -0.54 0.00 0.00 0.00 174.94 175.41 2e5h s LYS 82 N -0.89 3.53 -0.09 2.79 3.01 -1.15 -3.55 119.74 123.39 2e5h s LYS 82 Ca 0.14 -0.60 0.04 0.00 -1.01 0.00 0.00 55.97 54.54 2e5h s LYS 82 Cb -0.12 -2.78 -0.00 0.00 -1.01 0.00 0.00 37.83 33.92 2e5h s LYS 82 CO 0.03 0.22 -0.23 0.00 0.51 0.00 0.00 175.35 175.88 2e5h s ALA 83 N 0.38 2.10 -0.15 5.17 0.00 -1.26 -1.54 121.76 126.46 2e5h s ALA 83 Ca -0.07 -0.94 -0.16 0.00 0.00 0.00 0.00 51.96 50.78 2e5h s ALA 83 Cb -0.15 -0.77 0.04 0.00 0.00 0.00 0.00 23.12 22.24 2e5h s ALA 83 CO 0.04 0.30 0.45 -1.12 0.00 0.00 0.00 175.76 175.43 2e5h s SER 84 N 0.29 -0.46 -0.01 0.00 0.01 -0.47 -4.82 113.70 108.24 2e5h s SER 84 Ca -0.16 0.83 -0.30 0.00 1.31 0.00 0.00 55.95 57.63 2e5h s SER 84 Cb -0.17 0.86 -0.07 0.00 0.21 0.00 0.00 66.02 66.84 2e5h s SER 84 CO 0.08 -0.20 1.81 -0.63 0.41 0.00 0.00 173.24 174.70 2e5h s ILE 85 N 0.04 3.31 -0.55 1.44 -1.09 -1.26 -1.04 121.20 122.05 2e5h s ILE 85 Ca -0.02 0.37 -0.25 0.00 -2.23 0.00 0.00 60.65 58.52 2e5h s ILE 85 Cb -0.03 -3.24 0.04 0.00 -1.58 0.00 0.00 42.46 37.64 2e5h s ILE 85 CO 0.01 -0.03 1.01 0.00 -1.23 0.00 0.00 174.94 174.70 2e5h s ALA 86 N 4.26 3.12 0.00 9.38 0.00 -1.25 -4.88 121.76 132.39 2e5h s ALA 86 Ca 0.81 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2e5h s ALA 86 Cb -0.38 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 18.93 2e5h s ALA 86 CO 0.35 -2.42 0.00 0.44 0.00 0.00 0.00 175.76 174.13