#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 4.79 -0.81 1.61 0.01 -1.26 -4.99 113.70 113.05 2e5h s SER -5 Ca 0.00 -1.01 -0.31 0.00 1.31 0.00 0.00 55.95 55.93 2e5h s SER -5 Cb 0.00 -0.08 -0.18 0.00 0.21 0.00 0.00 66.02 65.97 2e5h s SER -5 CO 0.00 -0.88 2.56 -1.20 0.41 0.00 0.00 173.24 174.13 2e5h n SER -4 N -1.64 0.87 -0.62 2.44 7.64 -1.26 -4.55 113.62 116.50 2e5h n SER -4 Ca 0.01 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2e5h n SER -4 Cb 0.63 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 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 6.50 -0.28 3.69 0.23 0.00 -1.26 -4.99 105.19 109.08 2e5h n GLY -3 Ca 0.57 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.00 -0.08 -0.13 1.61 0.01 -1.26 -5.08 113.70 104.77 2e5h s SER -2 Ca 0.00 -0.88 -0.07 0.00 1.31 0.00 0.00 55.95 56.32 2e5h s SER -2 Cb 0.00 0.66 -0.02 0.00 0.21 0.00 0.00 66.02 66.86 2e5h s SER -2 CO 0.00 -1.26 -0.11 0.28 0.41 0.00 0.00 173.24 172.56 2e5h h SER -1 N 2.14 0.00 -3.63 2.44 0.02 -2.00 -3.49 113.55 109.04 2e5h h SER -1 Ca -0.24 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2e5h h SER -1 Cb 1.25 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.57 2e5h h SER -1 CO 0.32 0.69 0.19 -0.83 -1.14 0.00 0.00 176.83 176.05 2e5h s GLY 0 N -4.03 -0.45 0.07 -3.77 0.00 -1.26 -5.06 107.32 92.82 2e5h s GLY 0 Ca -0.10 2.27 -0.26 0.00 0.00 0.00 0.00 44.72 46.63 2e5h s GLY 0 CO 0.16 1.90 1.64 1.98 0.00 0.00 0.00 173.10 178.78 2e5h h MET 1 N 5.19 -0.23 -3.95 2.90 1.85 -2.05 -3.45 114.93 115.19 2e5h h MET 1 Ca -0.29 0.02 -0.18 0.00 -0.61 0.00 0.00 59.70 58.64 2e5h h MET 1 Cb 1.18 0.05 -0.22 0.00 0.43 0.00 0.00 31.60 33.04 2e5h h MET 1 CO 0.08 -0.10 -0.70 0.45 -0.40 0.00 0.00 176.91 176.25 2e5h s SER 2 N -5.04 0.21 0.00 1.39 0.15 -1.26 -5.12 113.70 104.03 2e5h s SER 2 Ca -0.14 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.06 2e5h s SER 2 Cb 0.05 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 2e5h s SER 2 CO 0.64 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.42 2e5h n GLY 3 N 1.74 2.45 0.00 9.45 0.00 -1.26 -5.18 105.19 112.39 2e5h n GLY 3 Ca -0.23 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 3.80 3.33 -0.02 0.00 -1.26 -5.10 105.19 105.94 2e5h n GLY 4 Ca 0.00 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 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 2.46 -0.35 0.99 0.20 -1.26 -4.85 118.68 115.86 2e5h s LEU 5 Ca 0.00 -0.88 -0.01 0.00 0.69 0.00 0.00 54.13 53.93 2e5h s LEU 5 Cb 0.00 -0.78 -0.01 0.00 -0.43 0.00 0.00 46.19 44.98 2e5h s LEU 5 CO 0.00 -0.07 0.30 0.00 -0.29 0.00 0.00 176.35 176.29 2e5h n ALA 6 N 0.20 -0.83 0.97 5.97 0.00 -1.26 -4.91 120.51 120.65 2e5h n ALA 6 Ca -0.12 0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.38 2e5h n ALA 6 Cb 0.58 -1.53 0.37 0.00 0.00 0.00 0.00 19.45 18.86 2e5h n ALA 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2e5h n PRO 7 N -2.00 0.49 -1.12 0.00 -0.04 -1.26 -4.84 135.00 126.23 2e5h n PRO 7 Ca -0.06 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.99 2e5h n PRO 7 Cb 0.55 -1.40 -0.04 0.00 -0.04 0.00 0.00 33.50 32.57 2e5h n PRO 7 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2e5h n SER 8 N -0.90 -0.58 -0.07 3.54 7.64 -1.26 -3.14 113.62 118.86 2e5h n SER 8 Ca 0.09 0.89 -0.12 0.00 1.01 0.00 0.00 58.87 60.74 2e5h n SER 8 Cb 0.04 -0.73 -0.06 0.00 -1.01 0.00 0.00 64.21 62.45 2e5h n SER 8 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2e5h h LYS 9 N 1.41 -0.41 -0.71 1.43 3.64 -1.90 -1.93 116.57 118.10 2e5h h LYS 9 Ca -0.29 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.22 2e5h h LYS 9 Cb 1.12 0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 32.92 2e5h h LYS 9 CO 0.47 -0.27 -0.30 -1.13 -2.27 0.00 0.00 179.45 175.94 2e5h n SER 10 N -5.42 -0.51 -4.45 4.20 3.41 -1.26 -4.42 113.62 105.16 2e5h n SER 10 Ca -0.03 1.25 -0.44 0.00 -0.26 0.00 0.00 58.87 59.39 2e5h n SER 10 Cb 0.36 -0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 64.04 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 -5.02 1.74 -3.99 6.66 -1.04 -0.73 -4.22 114.28 107.68 2e5h n THR 11 Ca 0.06 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.23 2e5h n THR 11 Cb 0.27 -0.44 -0.15 0.00 -1.82 0.00 0.00 70.33 68.19 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 -1.30 2.78 -0.70 12.58 1.01 0.11 -3.55 120.40 131.33 2e5h s VAL 12 Ca 0.62 -0.88 -0.26 0.00 0.00 0.00 0.00 61.98 61.46 2e5h s VAL 12 Cb -0.71 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2e5h s VAL 12 CO 0.59 0.34 1.61 -0.47 0.00 0.00 0.00 175.10 177.16 2e5h s TYR 13 N 1.35 1.96 -0.14 5.22 6.14 -0.20 -2.14 117.35 129.54 2e5h s TYR 13 Ca 0.03 0.36 -0.01 0.00 0.64 0.00 0.00 57.07 58.08 2e5h s TYR 13 Cb -0.15 -4.34 -0.02 0.00 0.42 0.00 0.00 41.96 37.87 2e5h s TYR 13 CO -0.06 -2.16 -0.11 0.08 0.64 0.00 0.00 175.55 173.93 2e5h s VAL 14 N 7.57 3.23 0.37 3.14 1.01 -0.46 -1.30 120.40 133.96 2e5h s VAL 14 Ca 0.53 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.98 2e5h s VAL 14 Cb -0.10 -2.37 -0.07 0.00 0.00 0.00 0.00 36.38 33.84 2e5h s VAL 14 CO 0.16 0.51 0.00 -0.44 0.00 0.00 0.00 175.10 175.33 2e5h s SER 15 N 0.42 3.33 -1.30 3.32 0.01 -0.28 -0.06 113.70 119.15 2e5h s SER 15 Ca -0.09 -1.34 -0.03 0.00 1.31 0.00 0.00 55.95 55.81 2e5h s SER 15 Cb -0.15 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.79 2e5h s SER 15 CO 0.05 -0.46 0.34 0.59 0.41 0.00 0.00 173.24 174.17 2e5h n ASN 16 N -0.83 -5.14 -4.81 2.44 4.13 -1.24 -2.67 115.26 107.13 2e5h n ASN 16 Ca -0.04 -0.17 -0.37 0.00 1.68 0.00 0.00 54.58 55.69 2e5h n ASN 16 Cb 0.66 -4.06 -0.06 0.00 -1.54 0.00 0.00 39.78 34.78 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 -5.24 4.38 -1.19 3.41 1.43 -1.05 -4.58 118.68 115.84 2e5h s LEU 17 Ca 0.17 1.42 -0.23 0.00 -1.03 0.00 0.00 54.13 54.46 2e5h s LEU 17 Cb -0.08 -3.51 -0.09 0.00 0.03 0.00 0.00 46.19 42.55 2e5h s LEU 17 CO 0.21 0.07 1.93 -0.81 0.23 0.00 0.00 176.35 177.98 2e5h n PRO 18 N 0.86 1.60 -0.52 1.29 -0.04 -1.26 -3.89 135.00 133.04 2e5h n PRO 18 Ca -0.03 -2.46 0.41 0.00 -0.04 0.00 0.00 63.50 61.37 2e5h n PRO 18 Cb 0.51 -3.72 0.65 0.00 -0.04 0.00 0.00 33.50 30.89 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 14.34 0.27 -0.29 0.54 1.16 -1.26 -0.27 117.46 131.95 2e5h n PHE 19 Ca 0.45 0.27 0.19 0.00 -1.87 0.00 0.00 57.45 56.49 2e5h n PHE 19 Cb 0.46 -0.70 0.36 0.00 -1.61 0.00 0.00 39.48 37.99 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 -3.99 0.05 -3.06 5.98 2.88 -1.26 -4.39 113.62 109.83 2e5h n SER 20 Ca 0.37 1.47 -0.15 0.00 -1.33 0.00 0.00 58.87 59.23 2e5h n SER 20 Cb 1.56 -0.61 0.13 0.00 -0.75 0.00 0.00 64.21 64.55 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 -5.16 0.00 -4.19 2.46 4.77 0.63 -5.08 117.00 110.43 2e5h n LEU 21 Ca 0.25 -0.50 -0.12 0.00 -0.03 0.00 0.00 56.01 55.61 2e5h n LEU 21 Cb 0.85 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 2e5h n LEU 21 CO -0.04 -1.86 -0.39 0.28 -1.33 0.00 0.00 177.39 174.05 2e5h s THR 22 N -1.76 0.84 0.17 -5.08 -1.32 -1.26 -5.01 115.64 102.22 2e5h s THR 22 Ca 0.34 -1.96 -0.10 0.00 -1.21 0.00 0.00 61.69 58.76 2e5h s THR 22 Cb -0.05 -1.71 0.22 0.00 -1.51 0.00 0.00 72.50 69.46 2e5h s THR 22 CO 0.27 -0.82 1.09 0.59 -2.21 0.00 0.00 174.62 173.54 2e5h n ASN 23 N -0.06 -0.38 -0.09 8.08 4.13 -1.26 0.11 115.26 125.79 2e5h n ASN 23 Ca -0.12 1.22 -0.07 0.00 1.68 0.00 0.00 54.58 57.29 2e5h n ASN 23 Cb 0.61 -0.31 -0.01 0.00 -1.54 0.00 0.00 39.78 38.53 2e5h n ASN 23 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 2e5h h ASN 24 N 0.00 -0.83 -0.04 6.41 4.21 -2.00 -1.70 115.58 121.63 2e5h h ASN 24 Ca 0.28 0.16 0.01 0.00 1.21 0.00 0.00 56.30 57.96 2e5h h ASN 24 Cb 0.45 0.41 -0.02 0.00 -1.12 0.00 0.00 38.32 38.04 2e5h h ASN 24 CO -0.70 -0.28 -0.16 0.44 -1.29 0.00 0.00 177.43 175.44 2e5h h ASP 25 N -0.21 -0.51 -0.90 5.81 3.32 0.43 -2.22 116.42 122.15 2e5h h ASP 25 Ca 0.17 0.06 0.16 0.00 0.02 0.00 0.00 57.03 57.44 2e5h h ASP 25 Cb 0.48 0.20 -0.16 0.00 0.22 0.00 0.00 39.33 40.06 2e5h h ASP 25 CO -0.47 -0.14 -0.31 -0.07 -1.72 0.00 0.00 179.24 176.53 2e5h h LEU 26 N -0.17 -1.15 -0.89 1.55 3.38 -1.23 0.29 115.31 117.09 2e5h h LEU 26 Ca 0.01 0.28 0.16 0.00 0.09 0.00 0.00 57.88 58.42 2e5h h LEU 26 Cb 0.20 0.65 -0.16 0.00 0.09 0.00 0.00 40.66 41.44 2e5h h LEU 26 CO -0.13 -0.30 -0.29 0.22 0.09 0.00 0.00 178.44 178.03 2e5h h TYR 27 N -0.03 -0.73 0.04 1.13 5.03 -0.71 0.20 116.97 121.91 2e5h h TYR 27 Ca 0.37 0.09 -0.00 0.00 2.58 0.00 0.00 58.73 61.76 2e5h h TYR 27 Cb 0.62 0.45 0.00 0.00 1.55 0.00 0.00 36.73 39.35 2e5h h TYR 27 CO -0.77 -0.39 -0.02 0.00 -1.32 0.00 0.00 178.16 175.66 2e5h h ARG 28 N -0.02 -0.05 -0.96 1.82 3.08 -0.34 -1.88 114.38 116.03 2e5h h ARG 28 Ca 0.38 0.00 0.30 0.00 0.07 0.00 0.00 59.98 60.74 2e5h h ARG 28 Cb 0.63 0.01 -0.16 0.00 0.08 0.00 0.00 29.97 30.53 2e5h h ARG 28 CO -0.91 0.56 0.38 0.82 -1.07 0.00 0.00 179.97 179.75 2e5h h ILE 29 N -0.75 0.21 0.00 2.04 2.04 0.53 1.50 117.51 123.09 2e5h h ILE 29 Ca -0.01 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2e5h h ILE 29 Cb 0.64 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2e5h h ILE 29 CO 0.01 0.03 -0.47 -0.26 0.00 0.00 0.00 178.15 177.46 2e5h h PHE 30 N 0.18 0.00 -0.82 1.37 -1.00 -0.70 -3.32 116.94 112.66 2e5h h PHE 30 Ca 0.68 0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.47 2e5h h PHE 30 Cb 1.54 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 41.06 2e5h h PHE 30 CO -0.16 0.00 0.53 1.03 -1.61 0.00 0.00 178.31 178.11 2e5h h SER 31 N 0.00 0.94 -0.18 2.17 0.87 0.30 -1.64 113.55 116.01 2e5h h SER 31 Ca 0.00 -0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.58 2e5h h SER 31 Cb 0.81 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 2e5h h SER 31 CO 0.00 0.69 0.71 0.07 -0.53 0.00 0.00 176.83 177.76 2e5h h LYS 32 N 1.11 0.00 0.00 2.24 2.10 -1.60 -2.42 116.57 118.00 2e5h h LYS 32 Ca 0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 2e5h h LYS 32 Cb -0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.21 2e5h h LYS 32 CO -0.06 0.00 -0.83 0.66 -2.00 0.00 0.00 179.45 177.21 2e5h n TYR 33 N -2.89 0.00 -3.87 0.07 4.01 -0.64 -5.08 117.16 108.76 2e5h n TYR 33 Ca 0.03 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.67 2e5h n TYR 33 Cb 0.78 -0.42 -0.08 0.00 -0.31 0.00 0.00 39.34 39.32 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 -4.64 0.08 0.21 2.72 0.00 -0.91 -5.00 107.32 99.78 2e5h s GLY 34 Ca -0.24 -0.42 -0.32 0.00 0.00 0.00 0.00 44.72 43.74 2e5h s GLY 34 CO 0.36 -0.59 1.69 1.17 0.00 0.00 0.00 173.10 175.73 2e5h n LYS 35 N 0.52 2.69 -3.88 2.90 4.81 -1.26 -3.98 118.16 119.96 2e5h n LYS 35 Ca -0.18 0.97 -0.36 0.00 -0.87 0.00 0.00 58.31 57.87 2e5h n LYS 35 Cb 0.60 -2.80 -0.06 0.00 0.02 0.00 0.00 35.03 32.79 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 1.04 5.50 -0.25 3.15 1.01 -1.26 -2.24 120.40 127.35 2e5h s VAL 36 Ca 0.75 0.16 -0.10 0.00 0.00 0.00 0.00 61.98 62.79 2e5h s VAL 36 Cb -0.53 -3.42 -0.11 0.00 0.00 0.00 0.00 36.38 32.32 2e5h s VAL 36 CO 0.34 0.58 -0.30 0.52 0.00 0.00 0.00 175.10 176.24 2e5h n VAL 37 N 1.83 1.35 -3.81 2.92 0.31 -1.08 -4.91 118.33 114.94 2e5h n VAL 37 Ca -0.19 -0.38 -0.12 0.00 -0.01 0.00 0.00 64.34 63.65 2e5h n VAL 37 Cb 0.55 -1.74 -0.10 0.00 -0.91 0.00 0.00 33.84 31.64 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 -2.45 0.51 0.13 5.55 1.02 -1.25 -5.08 119.74 118.17 2e5h s LYS 38 Ca -0.34 -0.17 0.03 0.00 0.02 0.00 0.00 55.97 55.52 2e5h s LYS 38 Cb 0.12 0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 37.62 2e5h s LYS 38 CO 0.45 -0.12 0.17 0.08 -0.92 0.00 0.00 175.35 175.01 2e5h s VAL 39 N -1.04 4.80 -0.03 3.17 1.01 -1.26 -1.66 120.40 125.38 2e5h s VAL 39 Ca -0.11 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 2e5h s VAL 39 Cb -0.06 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.92 2e5h s VAL 39 CO 0.02 -0.03 0.08 -0.89 0.00 0.00 0.00 175.10 174.28 2e5h s THR 40 N -1.65 -0.01 -0.00 3.92 2.01 0.10 -4.92 115.64 115.09 2e5h s THR 40 Ca 0.32 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.37 2e5h s THR 40 Cb -0.11 -0.13 -0.01 0.00 0.01 0.00 0.00 72.50 72.27 2e5h s THR 40 CO 0.25 0.01 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.50 2e5h s ILE 41 N 0.20 0.49 0.74 1.82 1.01 -1.26 0.58 121.20 124.78 2e5h s ILE 41 Ca -0.01 -0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.25 2e5h s ILE 41 Cb -0.02 -0.42 0.04 0.00 0.01 0.00 0.00 42.46 42.07 2e5h s ILE 41 CO -0.01 0.13 1.11 -0.04 0.00 0.00 0.00 174.94 176.14 2e5h s MET 42 N -0.17 2.44 -0.15 2.79 -1.94 -0.67 -4.91 119.30 116.70 2e5h s MET 42 Ca 0.02 0.24 -0.21 0.00 -1.71 0.00 0.00 55.69 54.03 2e5h s MET 42 Cb -0.03 -2.02 0.05 0.00 2.01 0.00 0.00 34.83 34.85 2e5h s MET 42 CO -0.00 -1.26 0.54 0.15 -0.01 0.00 0.00 175.02 174.44 2e5h s LYS 43 N -5.42 0.73 0.71 2.03 1.02 -1.26 -4.05 119.74 113.50 2e5h s LYS 43 Ca 0.60 0.53 -0.04 0.00 0.02 0.00 0.00 55.97 57.08 2e5h s LYS 43 Cb -0.11 0.35 0.10 0.00 -0.52 0.00 0.00 37.83 37.65 2e5h s LYS 43 CO 0.50 -0.14 0.99 0.34 -0.92 0.00 0.00 175.35 176.11 2e5h s ASP 44 N -0.24 4.52 -0.25 2.83 2.15 -0.91 -4.90 116.67 119.87 2e5h s ASP 44 Ca -0.04 -0.01 -0.01 0.00 0.43 0.00 0.00 52.55 52.91 2e5h s ASP 44 Cb -0.03 -0.51 -0.17 0.00 -0.30 0.00 0.00 42.92 41.90 2e5h s ASP 44 CO 0.03 -1.74 -0.18 0.29 -0.17 0.00 0.00 175.17 173.40 2e5h n LYS 45 N -2.86 0.65 -0.04 4.34 4.01 -1.26 -3.37 118.16 119.64 2e5h n LYS 45 Ca 0.12 0.18 -0.00 0.00 -0.51 0.00 0.00 58.31 58.10 2e5h n LYS 45 Cb 0.60 -1.54 -0.00 0.00 -0.51 0.00 0.00 35.03 33.58 2e5h n LYS 45 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 2e5h h ASP 46 N -0.14 0.00 0.93 4.39 3.32 -2.00 -3.37 116.42 119.55 2e5h h ASP 46 Ca -0.58 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.36 2e5h h ASP 46 Cb 1.87 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.40 2e5h h ASP 46 CO -0.12 0.41 -0.55 0.71 -1.72 0.00 0.00 179.24 177.98 2e5h h THR 47 N -0.82 1.13 -6.10 0.35 1.35 -2.01 -3.47 112.91 103.35 2e5h h THR 47 Ca 0.00 -2.07 -0.44 0.00 -0.55 0.00 0.00 66.41 63.35 2e5h h THR 47 Cb 0.01 2.20 0.04 0.00 -1.73 0.00 0.00 68.15 68.68 2e5h h THR 47 CO 0.00 0.54 -0.73 0.54 -0.25 0.00 0.00 175.52 175.62 2e5h n ARG 48 N -3.51 -6.61 -4.43 4.72 1.74 -1.22 -4.94 116.66 102.41 2e5h n ARG 48 Ca -0.00 0.70 -0.24 0.00 -0.77 0.00 0.00 57.85 57.54 2e5h n ARG 48 Cb 0.64 -5.66 -0.10 0.00 -1.02 0.00 0.00 32.46 26.32 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 -6.48 1.77 0.18 5.56 -0.14 -1.26 -4.68 119.74 114.68 2e5h s LYS 49 Ca 0.62 -1.67 -0.10 0.00 -1.36 0.00 0.00 55.97 53.46 2e5h s LYS 49 Cb -0.30 -1.85 0.08 0.00 -1.68 0.00 0.00 37.83 34.08 2e5h s LYS 49 CO 0.79 0.35 1.68 1.03 -0.76 0.00 0.00 175.35 178.44 2e5h h SER 50 N 2.33 0.96 -1.42 2.83 0.87 -1.92 -2.42 113.55 114.78 2e5h h SER 50 Ca -0.42 -0.24 -0.30 0.00 -1.23 0.00 0.00 61.79 59.60 2e5h h SER 50 Cb 1.25 -0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 62.89 2e5h h SER 50 CO 0.59 0.96 -0.33 0.29 -0.53 0.00 0.00 176.83 177.80 2e5h n LYS 51 N -4.31 -1.12 0.00 2.24 5.02 -1.26 -2.97 118.16 115.76 2e5h n LYS 51 Ca 0.04 0.88 0.00 0.00 -2.02 0.00 0.00 58.31 57.21 2e5h n LYS 51 Cb 0.26 -5.12 0.00 0.00 -0.02 0.00 0.00 35.03 30.15 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 -1.07 1.06 3.65 0.72 0.00 -1.25 -4.39 105.19 103.90 2e5h n GLY 52 Ca -0.16 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.38 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 0.53 -3.71 1.61 0.31 -1.16 -2.54 118.33 113.37 2e5h n VAL 53 Ca 0.00 -0.16 -0.10 0.00 -0.01 0.00 0.00 64.34 64.07 2e5h n VAL 53 Cb 0.00 -1.93 -0.05 0.00 -0.91 0.00 0.00 33.84 30.94 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 4.87 -0.72 -0.05 3.52 0.00 0.92 -1.67 121.76 128.63 2e5h s ALA 54 Ca 0.95 -0.23 0.05 0.00 0.00 0.00 0.00 51.96 52.73 2e5h s ALA 54 Cb -0.67 0.65 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 2e5h s ALA 54 CO 0.50 -0.62 -0.20 -0.06 0.00 0.00 0.00 175.76 175.38 2e5h s PHE 55 N -3.83 2.00 -0.18 0.00 0.40 0.20 -1.36 117.98 115.21 2e5h s PHE 55 Ca 0.04 -0.59 -0.02 0.00 -0.60 0.00 0.00 56.93 55.76 2e5h s PHE 55 Cb 0.03 -1.33 -0.01 0.00 0.51 0.00 0.00 43.02 42.21 2e5h s PHE 55 CO -0.11 -0.19 -0.08 0.42 0.70 0.00 0.00 175.22 175.96 2e5h s ILE 56 N -0.03 3.25 -0.17 0.64 -1.09 -0.91 0.02 121.20 122.91 2e5h s ILE 56 Ca -0.04 -0.56 -0.20 0.00 -2.23 0.00 0.00 60.65 57.62 2e5h s ILE 56 Cb -0.12 -2.43 -0.03 0.00 -1.58 0.00 0.00 42.46 38.29 2e5h s ILE 56 CO 0.03 0.47 0.60 -0.22 -1.23 0.00 0.00 174.94 174.59 2e5h s LEU 57 N 0.98 4.18 0.18 2.97 0.20 -0.67 0.08 118.68 126.60 2e5h s LEU 57 Ca -0.01 0.84 0.07 0.00 0.69 0.00 0.00 54.13 55.72 2e5h s LEU 57 Cb -0.15 -2.86 -0.04 0.00 -0.43 0.00 0.00 46.19 42.72 2e5h s LEU 57 CO -0.00 -0.21 0.07 -0.36 -0.29 0.00 0.00 176.35 175.56 2e5h s PHE 58 N 1.59 2.98 0.03 5.38 0.40 -1.26 -2.63 117.98 124.47 2e5h s PHE 58 Ca 0.29 -0.09 -0.26 0.00 -0.60 0.00 0.00 56.93 56.27 2e5h s PHE 58 Cb -0.16 -1.42 -0.17 0.00 0.51 0.00 0.00 43.02 41.78 2e5h s PHE 58 CO 0.11 0.53 1.42 1.25 0.70 0.00 0.00 175.22 179.23 2e5h h LEU 59 N 2.43 -0.22 -8.17 -0.37 5.85 -1.80 -3.43 115.31 109.60 2e5h h LEU 59 Ca -0.47 -0.18 -0.64 0.00 0.84 0.00 0.00 57.88 57.43 2e5h h LEU 59 Cb 1.21 0.06 -0.34 0.00 0.37 0.00 0.00 40.66 41.96 2e5h h LEU 59 CO 0.60 0.06 -0.86 -0.62 -0.34 0.00 0.00 178.44 177.28 2e5h s ASP 60 N -5.18 2.82 0.26 1.25 2.15 -1.26 -5.02 116.67 111.69 2e5h s ASP 60 Ca -0.15 -0.52 -0.05 0.00 0.43 0.00 0.00 52.55 52.26 2e5h s ASP 60 Cb 0.03 -1.29 0.50 0.00 -0.30 0.00 0.00 42.92 41.86 2e5h s ASP 60 CO 0.61 0.08 1.63 0.50 -0.17 0.00 0.00 175.17 177.83 2e5h h LYS 61 N 7.16 0.11 -0.92 4.34 3.11 -1.88 -0.43 116.57 128.07 2e5h h LYS 61 Ca -0.28 -0.01 0.15 0.00 -2.81 0.00 0.00 60.65 57.70 2e5h h LYS 61 Cb 1.20 -0.03 -0.15 0.00 -1.00 0.00 0.00 32.23 32.25 2e5h h LYS 61 CO 0.51 0.07 -0.36 0.22 -2.81 0.00 0.00 179.45 177.08 2e5h h ASP 62 N 0.11 -1.33 -0.67 4.20 3.58 -1.96 0.43 116.42 120.79 2e5h h ASP 62 Ca 0.45 0.29 0.02 0.00 0.42 0.00 0.00 57.03 58.21 2e5h h ASP 62 Cb 0.81 0.71 -0.04 0.00 1.72 0.00 0.00 39.33 42.53 2e5h h ASP 62 CO -0.68 -0.29 0.43 0.28 -2.88 0.00 0.00 179.24 176.09 2e5h h SER 63 N -0.03 0.72 -0.26 2.28 0.02 -1.47 -2.87 113.55 111.94 2e5h h SER 63 Ca 0.34 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.34 2e5h h SER 63 Cb 0.60 -0.17 -0.08 0.00 0.14 0.00 0.00 62.40 62.90 2e5h h SER 63 CO -0.93 0.51 -0.30 0.00 -1.14 0.00 0.00 176.83 174.97 2e5h h ALA 64 N 1.27 -0.23 -0.77 3.77 0.00 0.07 -2.62 119.26 120.74 2e5h h ALA 64 Ca 0.26 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.30 2e5h h ALA 64 Cb -0.04 0.62 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 2e5h h ALA 64 CO -0.08 -0.73 -0.46 1.04 0.00 0.00 0.00 179.25 179.02 2e5h n GLN 65 N -5.40 -0.34 -0.34 0.00 6.02 -0.68 -0.99 117.38 115.65 2e5h n GLN 65 Ca -0.01 1.36 -0.09 0.00 -0.01 0.00 0.00 57.00 58.25 2e5h n GLN 65 Cb 0.32 -2.00 -0.08 0.00 1.02 0.00 0.00 30.24 29.50 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 -4.76 -0.86 -0.15 1.08 2.85 -0.99 0.50 115.26 112.93 2e5h n ASN 66 Ca 0.02 1.47 -0.04 0.00 -0.11 0.00 0.00 54.58 55.91 2e5h n ASN 66 Cb 0.20 -0.20 0.05 0.00 1.24 0.00 0.00 39.78 41.07 2e5h n ASN 66 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2e5h h THR 68 N 0.40 0.00 0.00 0.00 2.02 0.18 0.20 112.91 115.71 2e5h h THR 68 Ca 0.22 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.35 2e5h h THR 68 Cb 0.18 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2e5h h THR 68 CO -0.19 0.00 -1.41 -1.14 0.37 0.00 0.00 175.52 173.14 2e5h n ARG 69 N -2.20 1.25 -0.03 6.66 0.63 0.04 -3.81 116.66 119.20 2e5h n ARG 69 Ca -0.01 -0.04 -0.14 0.00 -0.92 0.00 0.00 57.85 56.74 2e5h n ARG 69 Cb 0.31 -1.19 -0.10 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 h ALA 70 N 0.57 0.04 0.10 5.13 0.00 0.26 -3.34 119.26 122.02 2e5h h ALA 70 Ca -0.08 -0.36 -0.30 0.00 0.00 0.00 0.00 54.91 54.17 2e5h h ALA 70 Cb 0.79 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2e5h h ALA 70 CO 0.00 -0.07 -1.57 -0.84 0.00 0.00 0.00 179.25 176.78 2e5h h ILE 71 N -0.50 1.10 -1.87 0.00 3.07 -1.39 -3.45 117.51 114.47 2e5h h ILE 71 Ca -0.00 -2.78 -0.66 0.00 1.55 0.00 0.00 64.86 62.97 2e5h h ILE 71 Cb 0.74 2.70 0.07 0.00 -0.27 0.00 0.00 36.82 40.06 2e5h h ILE 71 CO 0.02 0.79 0.31 -3.20 -1.05 0.00 0.00 178.15 175.02 2e5h n ASN 72 N -3.40 1.39 -3.68 2.16 2.85 -1.25 -0.97 115.26 112.36 2e5h n ASN 72 Ca -0.17 1.14 -0.25 0.00 -0.11 0.00 0.00 54.58 55.19 2e5h n ASN 72 Cb 1.04 -1.21 0.06 0.00 1.24 0.00 0.00 39.78 40.92 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 2.13 -5.40 -3.98 1.20 3.02 -1.22 -4.89 115.26 106.12 2e5h n ASN 73 Ca 0.16 -0.63 -0.11 0.00 -0.03 0.00 0.00 54.58 53.97 2e5h n ASN 73 Cb 0.23 -4.68 -0.12 0.00 -0.61 0.00 0.00 39.78 34.60 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 -6.32 0.33 -0.27 3.52 2.47 -0.15 -5.05 119.74 114.28 2e5h s LYS 74 Ca 0.54 -0.51 -0.17 0.00 -1.56 0.00 0.00 55.97 54.27 2e5h s LYS 74 Cb -0.25 -0.07 -0.03 0.00 -1.46 0.00 0.00 37.83 36.02 2e5h s LYS 74 CO 0.76 0.00 0.48 -0.65 0.16 0.00 0.00 175.35 176.10 2e5h s GLN 75 N -1.12 4.02 -0.07 4.03 -0.21 -1.26 -1.91 119.66 123.12 2e5h s GLN 75 Ca -0.10 0.21 0.02 0.00 0.02 0.00 0.00 55.36 55.51 2e5h s GLN 75 Cb -0.08 -3.67 0.01 0.00 1.00 0.00 0.00 33.01 30.28 2e5h s GLN 75 CO -0.00 -0.36 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.17 2e5h s LEU 76 N 2.26 1.65 -1.44 2.90 1.02 -1.17 -4.76 118.68 119.14 2e5h s LEU 76 Ca 0.19 -0.33 -0.09 0.00 0.02 0.00 0.00 54.13 53.93 2e5h s LEU 76 Cb -0.16 -0.89 0.02 0.00 0.02 0.00 0.00 46.19 45.19 2e5h s LEU 76 CO 0.10 0.03 0.96 0.49 0.02 0.00 0.00 176.35 177.95 2e5h n PHE 77 N 3.89 -2.49 -3.44 0.29 3.01 -1.26 -2.58 117.46 114.88 2e5h n PHE 77 Ca -0.22 0.83 -0.18 0.00 1.01 0.00 0.00 57.45 58.89 2e5h n PHE 77 Cb 0.52 -4.62 0.07 0.00 -0.01 0.00 0.00 39.48 35.43 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 -1.79 -0.64 3.15 1.37 0.00 -1.26 -4.97 105.19 101.05 2e5h n GLY 78 Ca -0.02 0.28 0.05 0.00 0.00 0.00 0.00 46.02 46.33 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 -5.22 0.17 -0.27 1.61 1.70 -1.07 -5.12 118.95 110.76 2e5h s ARG 79 Ca 0.17 0.31 -0.37 0.00 -0.47 0.00 0.00 55.73 55.37 2e5h s ARG 79 Cb -0.03 0.17 -0.13 0.00 -0.57 0.00 0.00 34.95 34.39 2e5h s ARG 79 CO 0.76 -0.18 1.95 0.28 -1.08 0.00 0.00 175.30 177.02 2e5h n VAL 80 N 5.47 0.31 -3.75 4.99 0.31 -1.26 -3.05 118.33 121.35 2e5h n VAL 80 Ca -0.07 -0.14 -0.36 0.00 -0.01 0.00 0.00 64.34 63.76 2e5h n VAL 80 Cb 0.54 -1.50 -0.07 0.00 -0.91 0.00 0.00 33.84 31.90 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 5.12 5.41 -0.18 2.52 1.01 -0.80 -4.61 121.20 129.67 2e5h s ILE 81 Ca 1.02 0.28 -0.06 0.00 0.00 0.00 0.00 60.65 61.88 2e5h s ILE 81 Cb -0.93 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 2e5h s ILE 81 CO 0.57 0.51 0.04 -0.54 0.00 0.00 0.00 174.94 175.51 2e5h s LYS 82 N -0.21 3.84 -0.04 2.79 -0.14 -1.09 -3.46 119.74 121.44 2e5h s LYS 82 Ca 0.12 -0.41 0.07 0.00 -1.36 0.00 0.00 55.97 54.39 2e5h s LYS 82 Cb -0.12 -3.15 -0.01 0.00 -1.68 0.00 0.00 37.83 32.87 2e5h s LYS 82 CO 0.02 0.20 -0.25 0.00 -0.76 0.00 0.00 175.35 174.55 2e5h s ALA 83 N 0.55 2.16 -0.28 5.17 0.00 -1.25 -1.12 121.76 126.99 2e5h s ALA 83 Ca 0.01 -1.08 -0.18 0.00 0.00 0.00 0.00 51.96 50.71 2e5h s ALA 83 Cb -0.13 -0.62 0.09 0.00 0.00 0.00 0.00 23.12 22.46 2e5h s ALA 83 CO 0.02 0.47 0.74 -1.54 0.00 0.00 0.00 175.76 175.45 2e5h s SER 84 N -0.37 -0.84 -0.28 0.00 1.04 -0.42 -4.80 113.70 108.04 2e5h s SER 84 Ca 0.03 1.40 -0.29 0.00 0.48 0.00 0.00 55.95 57.57 2e5h s SER 84 Cb -0.12 1.36 -0.06 0.00 0.10 0.00 0.00 66.02 67.30 2e5h s SER 84 CO 0.02 -0.23 2.26 -0.38 0.98 0.00 0.00 173.24 175.89 2e5h n ILE 85 N 3.83 0.26 -2.36 -1.02 2.08 -1.26 -1.04 119.36 119.84 2e5h n ILE 85 Ca -0.18 -0.49 -0.42 0.00 0.56 0.00 0.00 62.75 62.21 2e5h n ILE 85 Cb 0.58 -2.49 -0.03 0.00 -0.75 0.00 0.00 39.64 36.95 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 8.87 3.58 0.00 -1.39 0.00 -1.23 -4.89 121.76 126.69 2e5h s ALA 86 Ca 1.02 0.64 0.00 0.00 0.00 0.00 0.00 51.96 53.62 2e5h s ALA 86 Cb -0.37 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.16 2e5h s ALA 86 CO 0.35 -0.98 0.00 0.44 0.00 0.00 0.00 175.76 175.57