#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 -1.24 -0.90 1.61 0.15 -1.26 -5.10 113.70 106.96 2e5h s SER -5 Ca 0.00 0.79 -0.07 0.00 0.70 0.00 0.00 55.95 57.37 2e5h s SER -5 Cb 0.00 2.05 0.23 0.00 -1.71 0.00 0.00 66.02 66.59 2e5h s SER -5 CO 0.00 -0.23 0.83 -0.44 1.20 0.00 0.00 173.24 174.60 2e5h s SER -4 N 2.87 6.49 0.00 5.45 0.01 -1.26 -4.99 113.70 122.28 2e5h s SER -4 Ca 0.17 -3.28 0.00 0.00 1.31 0.00 0.00 55.95 54.15 2e5h s SER -4 Cb -0.14 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.02 2e5h s SER -4 CO -0.19 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.72 2e5h n GLY -3 N 3.05 0.32 3.67 3.44 0.00 -1.26 -4.89 105.19 109.52 2e5h n GLY -3 Ca 0.18 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.14 2e5h n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e5h s SER -2 N -4.00 6.69 -0.24 1.61 0.15 -1.26 -4.95 113.70 111.70 2e5h s SER -2 Ca 0.00 0.83 0.15 0.00 0.70 0.00 0.00 55.95 57.63 2e5h s SER -2 Cb 0.00 -2.34 0.47 0.00 -1.71 0.00 0.00 66.02 62.44 2e5h s SER -2 CO 0.00 -0.24 1.16 -1.20 1.20 0.00 0.00 173.24 174.16 2e5h n SER -1 N 4.88 2.98 -0.02 5.45 7.64 -1.26 -5.06 113.62 128.24 2e5h n SER -1 Ca -0.02 -2.98 0.00 0.00 1.01 0.00 0.00 58.87 56.88 2e5h n SER -1 Cb 0.50 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2e5h n SER -1 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e5h n GLY 0 N -0.60 -3.26 3.62 0.23 0.00 -1.26 -4.70 105.19 99.22 2e5h n GLY 0 Ca 0.24 -1.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 2e5h n GLY 0 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2e5h n MET 1 N -0.61 -1.80 -0.28 1.61 -0.00 -1.26 -4.71 117.12 110.06 2e5h n MET 1 Ca 0.00 0.09 0.16 0.00 -0.00 0.00 0.00 57.70 57.95 2e5h n MET 1 Cb 0.00 -4.64 0.30 0.00 -0.00 0.00 0.00 33.22 28.88 2e5h n MET 1 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2e5h n SER 2 N -2.04 0.00 -4.97 3.17 7.64 -1.26 -4.36 113.62 111.80 2e5h n SER 2 Ca 0.06 1.39 -0.21 0.00 1.01 0.00 0.00 58.87 61.12 2e5h n SER 2 Cb 0.48 -0.55 -0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2e5h n SER 2 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2e5h s GLY 3 N -4.23 1.52 0.00 0.23 0.00 -1.26 -5.05 107.32 98.53 2e5h s GLY 3 Ca -0.10 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.36 2e5h s GLY 3 CO 0.64 -1.17 0.00 0.61 0.00 0.00 0.00 173.10 173.18 2e5h n GLY 4 N -1.76 -2.06 0.00 0.20 0.00 -1.26 -5.03 105.19 95.27 2e5h n GLY 4 Ca -0.01 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.55 2e5h n GLY 4 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2e5h n LEU 5 N 0.00 0.00 -2.79 0.99 0.00 -1.26 -4.80 117.00 109.14 2e5h n LEU 5 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.72 2e5h n LEU 5 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.41 2e5h n LEU 5 CO 0.00 0.00 0.38 0.00 0.00 0.00 0.00 177.39 177.77 2e5h n ALA 6 N -1.44 5.11 -2.00 1.96 0.00 -1.26 -5.06 120.51 117.82 2e5h n ALA 6 Ca 0.00 -4.49 -0.41 0.00 0.00 0.00 0.00 53.44 48.54 2e5h n ALA 6 Cb 0.16 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 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 -3.62 4.39 0.26 0.00 0.04 -1.26 -4.99 135.00 129.82 2e5h s PRO 7 Ca 0.48 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 63.46 2e5h s PRO 7 Cb 0.34 -3.19 -0.00 0.00 0.04 0.00 0.00 34.50 31.68 2e5h s PRO 7 CO -0.18 -0.24 0.48 0.45 0.04 0.00 0.00 177.00 177.54 2e5h s SER 8 N 0.30 0.02 0.01 6.66 0.15 0.60 -4.82 113.70 116.63 2e5h s SER 8 Ca 0.56 -1.01 -0.19 0.00 0.70 0.00 0.00 55.95 56.01 2e5h s SER 8 Cb -0.36 0.60 -0.11 0.00 -1.71 0.00 0.00 66.02 64.44 2e5h s SER 8 CO 0.39 -1.17 1.04 0.11 1.20 0.00 0.00 173.24 174.81 2e5h h LYS 9 N 2.24 -0.67 0.70 5.44 1.57 -1.96 -3.34 116.57 120.55 2e5h h LYS 9 Ca -0.27 0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 2e5h h LYS 9 Cb 1.25 0.15 0.01 0.00 0.08 0.00 0.00 32.23 33.72 2e5h h LYS 9 CO 0.36 -0.45 -0.33 0.77 -0.57 0.00 0.00 179.45 179.23 2e5h h SER 10 N -0.87 -0.79 -0.81 0.86 0.02 -1.89 -3.44 113.55 106.62 2e5h h SER 10 Ca -0.07 0.02 -0.61 0.00 -0.84 0.00 0.00 61.79 60.29 2e5h h SER 10 Cb 0.53 0.20 0.05 0.00 0.14 0.00 0.00 62.40 63.33 2e5h h SER 10 CO 0.12 -0.55 -0.09 0.41 -1.14 0.00 0.00 176.83 175.57 2e5h n THR 11 N -5.49 0.47 -3.99 -2.27 -1.04 -1.25 -4.42 114.28 96.29 2e5h n THR 11 Ca -0.14 -0.12 -0.34 0.00 -2.04 0.00 0.00 64.05 61.41 2e5h n THR 11 Cb 0.38 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.74 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 -0.23 2.95 -0.60 12.58 1.01 0.58 -3.45 120.40 133.23 2e5h s VAL 12 Ca 0.68 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.74 2e5h s VAL 12 Cb -0.95 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.13 2e5h s VAL 12 CO 0.46 0.46 1.40 -0.47 0.00 0.00 0.00 175.10 176.96 2e5h s TYR 13 N 1.39 2.26 -0.08 5.22 6.14 -0.48 -2.01 117.35 129.79 2e5h s TYR 13 Ca 0.05 0.39 0.01 0.00 0.64 0.00 0.00 57.07 58.17 2e5h s TYR 13 Cb -0.14 -4.42 -0.02 0.00 0.42 0.00 0.00 41.96 37.79 2e5h s TYR 13 CO -0.06 -1.99 -0.11 0.08 0.64 0.00 0.00 175.55 174.11 2e5h s VAL 14 N 6.13 3.30 0.36 3.14 1.01 -0.73 -1.11 120.40 132.51 2e5h s VAL 14 Ca 0.49 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.91 2e5h s VAL 14 Cb -0.10 -2.35 -0.07 0.00 0.00 0.00 0.00 36.38 33.87 2e5h s VAL 14 CO 0.23 0.57 0.04 -0.94 0.00 0.00 0.00 175.10 175.00 2e5h s SER 15 N -0.40 2.90 -1.54 3.32 1.04 -0.04 -0.95 113.70 118.02 2e5h s SER 15 Ca 0.05 -1.38 -0.01 0.00 0.48 0.00 0.00 55.95 55.09 2e5h s SER 15 Cb -0.12 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.83 2e5h s SER 15 CO 0.02 -0.57 0.12 0.59 0.98 0.00 0.00 173.24 174.39 2e5h n ASN 16 N -0.80 -5.43 -4.79 7.02 4.13 -1.24 -2.90 115.26 111.25 2e5h n ASN 16 Ca -0.03 -0.07 -0.37 0.00 1.68 0.00 0.00 54.58 55.78 2e5h n ASN 16 Cb 0.67 -4.43 -0.06 0.00 -1.54 0.00 0.00 39.78 34.41 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 -5.47 4.43 -1.19 3.41 1.43 -1.13 -4.59 118.68 115.57 2e5h s LEU 17 Ca 0.06 1.59 -0.23 0.00 -1.03 0.00 0.00 54.13 54.52 2e5h s LEU 17 Cb -0.03 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.52 2e5h s LEU 17 CO 0.07 0.07 1.93 -0.81 0.23 0.00 0.00 176.35 177.85 2e5h n PRO 18 N 0.98 1.61 -0.48 1.29 -0.04 -1.26 -3.74 135.00 133.36 2e5h n PRO 18 Ca -0.03 -2.48 0.42 0.00 -0.04 0.00 0.00 63.50 61.38 2e5h n PRO 18 Cb 0.50 -3.73 0.68 0.00 -0.04 0.00 0.00 33.50 30.90 2e5h n PRO 18 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2e5h h PHE 19 N 9.68 0.00 -1.44 0.54 -0.00 -1.92 0.18 116.94 123.97 2e5h h PHE 19 Ca 0.22 0.00 0.46 0.00 -0.00 0.00 0.00 57.97 58.65 2e5h h PHE 19 Cb 0.94 0.00 -0.11 0.00 -0.00 0.00 0.00 35.95 36.77 2e5h h PHE 19 CO 1.21 0.00 0.97 1.03 -0.00 0.00 0.00 178.31 181.52 2e5h h SER 20 N 0.00 0.18 -3.04 -0.68 0.87 -2.04 -3.39 113.55 105.45 2e5h h SER 20 Ca 0.73 0.10 -0.27 0.00 -1.23 0.00 0.00 61.79 61.12 2e5h h SER 20 Cb 3.29 0.09 0.12 0.00 -0.44 0.00 0.00 62.40 65.46 2e5h h SER 20 CO -0.01 -0.13 0.21 0.18 -0.53 0.00 0.00 176.83 176.55 2e5h n LEU 21 N -4.51 0.00 -4.32 2.23 4.77 0.61 -5.10 117.00 110.69 2e5h n LEU 21 Ca 0.38 -0.89 -0.17 0.00 -0.03 0.00 0.00 56.01 55.30 2e5h n LEU 21 Cb 1.53 -0.66 -0.10 0.00 -2.33 0.00 0.00 43.42 41.86 2e5h n LEU 21 CO 0.27 -1.34 -0.43 0.28 -1.33 0.00 0.00 177.39 174.83 2e5h s THR 22 N -2.69 1.57 0.23 -5.08 -1.32 -1.26 -5.00 115.64 102.09 2e5h s THR 22 Ca 0.48 -2.16 -0.05 0.00 -1.21 0.00 0.00 61.69 58.75 2e5h s THR 22 Cb -0.02 -1.98 0.36 0.00 -1.51 0.00 0.00 72.50 69.35 2e5h s THR 22 CO 0.35 -0.63 1.24 -0.46 -2.21 0.00 0.00 174.62 172.91 2e5h n ASN 23 N -0.31 -0.25 -0.10 8.08 6.94 -1.26 0.13 115.26 128.50 2e5h n ASN 23 Ca -0.09 1.37 -0.06 0.00 -0.02 0.00 0.00 54.58 55.78 2e5h n ASN 23 Cb 0.60 -0.43 0.01 0.00 -2.36 0.00 0.00 39.78 37.60 2e5h n ASN 23 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 2e5h h ASN 24 N 0.00 -0.20 0.04 0.53 4.21 -1.97 -1.57 115.58 116.62 2e5h h ASN 24 Ca 0.40 0.09 0.00 0.00 1.21 0.00 0.00 56.30 58.00 2e5h h ASN 24 Cb 0.66 0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 38.01 2e5h h ASN 24 CO -0.81 -0.06 -0.15 0.44 -1.29 0.00 0.00 177.43 175.56 2e5h h ASP 25 N 0.06 -0.44 -0.82 5.81 5.19 0.74 -1.95 116.42 125.01 2e5h h ASP 25 Ca 0.17 0.04 0.18 0.00 -0.62 0.00 0.00 57.03 56.80 2e5h h ASP 25 Cb 0.24 0.16 -0.15 0.00 0.18 0.00 0.00 39.33 39.76 2e5h h ASP 25 CO -0.31 -0.16 -0.12 -0.07 -3.12 0.00 0.00 179.24 175.47 2e5h h LEU 26 N -0.22 -0.62 -0.65 1.55 3.38 -1.35 0.39 115.31 117.79 2e5h h LEU 26 Ca -0.00 0.24 0.14 0.00 0.09 0.00 0.00 57.88 58.34 2e5h h LEU 26 Cb 0.21 0.46 -0.11 0.00 0.09 0.00 0.00 40.66 41.31 2e5h h LEU 26 CO -0.07 -0.26 -0.00 0.22 0.09 0.00 0.00 178.44 178.42 2e5h h TYR 27 N 0.03 -0.05 0.23 1.13 5.03 -0.84 0.38 116.97 122.87 2e5h h TYR 27 Ca 0.42 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.77 2e5h h TYR 27 Cb 0.71 0.12 0.00 0.00 1.55 0.00 0.00 36.73 39.12 2e5h h TYR 27 CO -0.57 -0.18 -0.11 0.00 -1.32 0.00 0.00 178.16 175.98 2e5h h ARG 28 N 0.11 -0.29 -0.96 1.82 3.08 0.20 -2.69 114.38 115.65 2e5h h ARG 28 Ca 0.34 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.54 2e5h h ARG 28 Cb 0.56 0.07 -0.14 0.00 0.08 0.00 0.00 29.97 30.54 2e5h h ARG 28 CO -0.56 -0.03 -0.46 0.82 -1.07 0.00 0.00 179.97 178.67 2e5h h ILE 29 N -1.01 0.01 0.00 2.04 2.04 -0.16 1.72 117.51 122.14 2e5h h ILE 29 Ca -0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 2e5h h ILE 29 Cb 0.40 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2e5h h ILE 29 CO 0.05 0.00 -0.07 -0.26 0.00 0.00 0.00 178.15 177.87 2e5h h PHE 30 N -0.02 0.00 -0.01 1.37 -1.00 -1.05 -2.54 116.94 113.69 2e5h h PHE 30 Ca 0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.05 2e5h h PHE 30 Cb 0.53 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.09 2e5h h PHE 30 CO -0.91 0.07 0.34 1.03 -1.61 0.00 0.00 178.31 177.22 2e5h h SER 31 N 0.00 0.00 0.13 2.17 0.87 0.30 0.20 113.55 117.22 2e5h h SER 31 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2e5h h SER 31 Cb 0.32 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2e5h h SER 31 CO 0.01 0.00 -0.01 0.07 -0.53 0.00 0.00 176.83 176.37 2e5h h LYS 32 N 0.00 0.00 0.00 2.24 2.10 -1.44 -3.21 116.57 116.25 2e5h h LYS 32 Ca 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.54 2e5h h LYS 32 Cb 0.68 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.99 2e5h h LYS 32 CO -0.00 0.01 -1.35 0.66 -2.00 0.00 0.00 179.45 176.77 2e5h n TYR 33 N -3.30 0.02 -3.70 0.07 4.01 0.70 -5.07 117.16 109.90 2e5h n TYR 33 Ca -0.03 0.01 -0.14 0.00 -0.16 0.00 0.00 57.90 57.58 2e5h n TYR 33 Cb 0.11 -0.62 -0.08 0.00 -0.31 0.00 0.00 39.34 38.44 2e5h n TYR 33 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2e5h s GLY 34 N -5.04 -0.25 0.14 2.72 0.00 -1.19 -4.97 107.32 98.74 2e5h s GLY 34 Ca -0.31 0.49 -0.34 0.00 0.00 0.00 0.00 44.72 44.55 2e5h s GLY 34 CO 0.44 0.24 1.28 1.17 0.00 0.00 0.00 173.10 176.24 2e5h n LYS 35 N 1.04 1.30 -4.00 2.90 3.00 -1.26 -4.21 118.16 116.93 2e5h n LYS 35 Ca -0.20 0.47 -0.35 0.00 -0.00 0.00 0.00 58.31 58.22 2e5h n LYS 35 Cb 0.57 -2.05 -0.07 0.00 0.00 0.00 0.00 35.03 33.48 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 0.16 5.17 -0.15 3.15 1.01 -1.26 -1.58 120.40 126.90 2e5h s VAL 36 Ca 0.78 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.69 2e5h s VAL 36 Cb -0.86 -3.29 -0.08 0.00 0.00 0.00 0.00 36.38 32.16 2e5h s VAL 36 CO 0.49 0.53 -0.17 0.52 0.00 0.00 0.00 175.10 176.46 2e5h n VAL 37 N 1.71 0.83 -3.97 2.92 0.31 -1.03 -4.88 118.33 114.23 2e5h n VAL 37 Ca -0.17 -0.25 -0.09 0.00 -0.01 0.00 0.00 64.34 63.81 2e5h n VAL 37 Cb 0.54 -1.45 -0.11 0.00 -0.91 0.00 0.00 33.84 31.91 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 -2.28 0.28 -0.27 5.55 1.02 -1.24 -5.07 119.74 117.73 2e5h s LYS 38 Ca -0.21 -0.55 0.03 0.00 0.02 0.00 0.00 55.97 55.27 2e5h s LYS 38 Cb 0.07 0.10 0.06 0.00 -0.52 0.00 0.00 37.83 37.55 2e5h s LYS 38 CO 0.29 -0.05 -0.08 0.08 -0.92 0.00 0.00 175.35 174.67 2e5h s VAL 39 N -1.31 2.10 0.03 3.17 1.01 -1.26 -1.75 120.40 122.38 2e5h s VAL 39 Ca -0.14 -1.67 -0.01 0.00 0.00 0.00 0.00 61.98 60.16 2e5h s VAL 39 Cb -0.09 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2e5h s VAL 39 CO -0.01 -0.11 0.20 -0.89 0.00 0.00 0.00 175.10 174.29 2e5h s THR 40 N 1.12 5.41 -0.03 3.92 2.01 0.77 -4.99 115.64 123.86 2e5h s THR 40 Ca -0.06 -0.28 -0.02 0.00 0.31 0.00 0.00 61.69 61.64 2e5h s THR 40 Cb -0.20 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 68.73 2e5h s THR 40 CO -0.06 0.23 0.07 -0.63 -0.69 0.00 0.00 174.62 173.54 2e5h s ILE 41 N -1.42 -0.00 0.61 1.82 1.01 -1.26 0.38 121.20 122.33 2e5h s ILE 41 Ca 0.31 0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.86 2e5h s ILE 41 Cb -0.13 -0.11 -0.04 0.00 0.01 0.00 0.00 42.46 42.19 2e5h s ILE 41 CO 0.24 0.00 1.02 -0.04 0.00 0.00 0.00 174.94 176.17 2e5h s MET 42 N 0.10 3.63 -0.16 2.79 -1.94 -0.72 -4.92 119.30 118.07 2e5h s MET 42 Ca -0.01 0.79 -0.04 0.00 -1.71 0.00 0.00 55.69 54.72 2e5h s MET 42 Cb -0.01 -2.08 0.08 0.00 2.01 0.00 0.00 34.83 34.82 2e5h s MET 42 CO -0.00 -0.54 0.25 0.15 -0.01 0.00 0.00 175.02 174.87 2e5h s LYS 43 N -5.01 0.18 1.27 2.03 3.01 -1.26 -3.97 119.74 115.99 2e5h s LYS 43 Ca 0.56 0.52 -0.19 0.00 -1.01 0.00 0.00 55.97 55.85 2e5h s LYS 43 Cb -0.11 -0.51 0.28 0.00 -1.01 0.00 0.00 37.83 36.48 2e5h s LYS 43 CO 0.51 -0.45 0.67 -3.47 0.51 0.00 0.00 175.35 173.11 2e5h n ASP 44 N 5.34 -3.15 -0.11 2.83 2.03 -0.48 -4.83 116.55 118.19 2e5h n ASP 44 Ca -0.06 -0.51 -0.19 0.00 0.52 0.00 0.00 54.79 54.55 2e5h n ASP 44 Cb 0.50 -1.01 -0.09 0.00 -0.72 0.00 0.00 41.12 39.80 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 -4.28 0.49 -0.05 -0.67 4.81 -1.26 -3.67 118.16 113.52 2e5h n LYS 45 Ca 0.07 0.16 -0.04 0.00 -0.87 0.00 0.00 58.31 57.63 2e5h n LYS 45 Cb 0.54 -1.35 -0.04 0.00 0.02 0.00 0.00 35.03 34.21 2e5h n LYS 45 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2e5h h ASP 46 N -0.38 -0.01 1.18 3.14 5.19 -2.00 -3.36 116.42 120.18 2e5h h ASP 46 Ca -0.51 -0.27 -0.12 0.00 -0.62 0.00 0.00 57.03 55.52 2e5h h ASP 46 Cb 1.60 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.10 2e5h h ASP 46 CO -0.20 0.63 -0.56 0.71 -3.12 0.00 0.00 179.24 176.70 2e5h h THR 47 N -1.00 1.04 -5.98 0.35 1.35 -1.99 -3.47 112.91 103.21 2e5h h THR 47 Ca -0.00 -2.22 -0.40 0.00 -0.55 0.00 0.00 66.41 63.23 2e5h h THR 47 Cb 0.28 2.34 0.08 0.00 -1.73 0.00 0.00 68.15 69.12 2e5h h THR 47 CO 0.00 0.55 -0.77 0.54 -0.25 0.00 0.00 175.52 175.59 2e5h n ARG 48 N -3.36 -6.05 -4.36 4.72 1.74 -1.24 -4.96 116.66 103.15 2e5h n ARG 48 Ca 0.01 0.71 -0.19 0.00 -0.77 0.00 0.00 57.85 57.61 2e5h n ARG 48 Cb 0.70 -5.55 -0.10 0.00 -1.02 0.00 0.00 32.46 26.49 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 -6.01 1.38 0.10 5.56 -0.14 -1.26 -4.72 119.74 114.64 2e5h s LYS 49 Ca 0.25 -1.64 -0.15 0.00 -1.36 0.00 0.00 55.97 53.07 2e5h s LYS 49 Cb -0.12 -1.06 -0.08 0.00 -1.68 0.00 0.00 37.83 34.89 2e5h s LYS 49 CO 0.78 0.12 1.43 1.03 -0.76 0.00 0.00 175.35 177.95 2e5h h SER 50 N 2.49 0.77 -1.52 2.83 0.87 -1.92 -1.27 113.55 115.80 2e5h h SER 50 Ca -0.38 -0.47 -0.32 0.00 -1.23 0.00 0.00 61.79 59.39 2e5h h SER 50 Cb 1.22 -0.21 -0.07 0.00 -0.44 0.00 0.00 62.40 62.90 2e5h h SER 50 CO 0.64 1.07 -0.35 0.29 -0.53 0.00 0.00 176.83 177.95 2e5h n LYS 51 N -4.26 -1.19 0.00 2.24 5.02 -1.26 -2.47 118.16 116.23 2e5h n LYS 51 Ca -0.04 0.92 0.00 0.00 -2.02 0.00 0.00 58.31 57.17 2e5h n LYS 51 Cb 0.47 -5.20 0.00 0.00 -0.02 0.00 0.00 35.03 30.28 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 -1.02 2.36 3.59 0.72 0.00 -1.25 -4.33 105.19 105.27 2e5h n GLY 52 Ca -0.17 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.04 3.10 0.08 1.61 1.01 -1.03 -2.83 120.40 122.30 2e5h s VAL 53 Ca 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 2e5h s VAL 53 Cb 0.00 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 2e5h s VAL 53 CO 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 175.10 175.07 2e5h s ALA 54 N 8.92 0.24 -0.11 5.51 0.00 -0.13 -1.75 121.76 134.44 2e5h s ALA 54 Ca 0.95 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.95 2e5h s ALA 54 Cb -0.27 0.45 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 2e5h s ALA 54 CO 0.32 -0.45 -0.22 -0.06 0.00 0.00 0.00 175.76 175.36 2e5h s PHE 55 N -3.91 2.62 -0.28 0.00 0.08 0.16 -1.77 117.98 114.88 2e5h s PHE 55 Ca 0.09 -0.98 -0.05 0.00 0.12 0.00 0.00 56.93 56.10 2e5h s PHE 55 Cb 0.06 -1.74 0.01 0.00 -0.57 0.00 0.00 43.02 40.78 2e5h s PHE 55 CO -0.09 -0.39 0.04 0.42 -0.10 0.00 0.00 175.22 175.10 2e5h s ILE 56 N 0.37 3.67 -0.22 0.64 -1.09 -0.85 -0.16 121.20 123.56 2e5h s ILE 56 Ca -0.17 -0.73 -0.21 0.00 -2.23 0.00 0.00 60.65 57.31 2e5h s ILE 56 Cb -0.17 -2.86 -0.02 0.00 -1.58 0.00 0.00 42.46 37.82 2e5h s ILE 56 CO 0.08 0.15 0.65 -0.22 -1.23 0.00 0.00 174.94 174.37 2e5h s LEU 57 N 1.46 4.10 0.15 2.97 0.20 -0.72 -0.31 118.68 126.54 2e5h s LEU 57 Ca 0.02 0.81 0.03 0.00 0.69 0.00 0.00 54.13 55.68 2e5h s LEU 57 Cb -0.17 -2.91 -0.04 0.00 -0.43 0.00 0.00 46.19 42.64 2e5h s LEU 57 CO 0.00 -0.34 0.26 -0.36 -0.29 0.00 0.00 176.35 175.62 2e5h s PHE 58 N 2.25 3.42 0.19 5.38 0.40 -1.26 -2.48 117.98 125.88 2e5h s PHE 58 Ca 0.28 0.09 -0.08 0.00 -0.60 0.00 0.00 56.93 56.62 2e5h s PHE 58 Cb -0.16 -1.63 0.10 0.00 0.51 0.00 0.00 43.02 41.84 2e5h s PHE 58 CO 0.09 0.52 1.63 1.25 0.70 0.00 0.00 175.22 179.41 2e5h h LEU 59 N 2.17 0.99 -8.04 -0.37 5.85 -1.62 -3.43 115.31 110.87 2e5h h LEU 59 Ca -0.48 -0.31 -0.56 0.00 0.84 0.00 0.00 57.88 57.37 2e5h h LEU 59 Cb 1.20 -0.27 -0.34 0.00 0.37 0.00 0.00 40.66 41.62 2e5h h LEU 59 CO 0.67 1.08 -0.83 -0.62 -0.34 0.00 0.00 178.44 178.41 2e5h s ASP 60 N -6.64 2.15 0.17 1.25 2.15 -1.26 -5.03 116.67 109.47 2e5h s ASP 60 Ca -0.11 -0.37 -0.15 0.00 0.43 0.00 0.00 52.55 52.35 2e5h s ASP 60 Cb 0.13 -0.98 0.14 0.00 -0.30 0.00 0.00 42.92 41.91 2e5h s ASP 60 CO 0.85 0.04 1.70 0.50 -0.17 0.00 0.00 175.17 178.10 2e5h h LYS 61 N 7.07 0.14 -1.06 4.34 3.64 -1.90 -0.53 116.57 128.28 2e5h h LYS 61 Ca -0.29 -0.01 0.28 0.00 -1.27 0.00 0.00 60.65 59.37 2e5h h LYS 61 Cb 1.19 -0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.87 2e5h h LYS 61 CO 0.47 0.09 0.66 0.22 -2.27 0.00 0.00 179.45 178.63 2e5h h ASP 62 N 0.15 0.49 -0.22 4.20 1.82 -1.96 0.15 116.42 121.05 2e5h h ASP 62 Ca 0.22 0.11 -0.09 0.00 -0.39 0.00 0.00 57.03 56.88 2e5h h ASP 62 Cb 0.30 0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.35 2e5h h ASP 62 CO -0.33 0.04 -0.21 0.28 -1.61 0.00 0.00 179.24 177.41 2e5h h SER 63 N 0.40 0.58 -0.41 2.28 0.02 -1.51 -3.27 113.55 111.64 2e5h h SER 63 Ca 0.64 -0.47 0.07 0.00 -0.84 0.00 0.00 61.79 61.19 2e5h h SER 63 Cb 1.56 -0.16 -0.09 0.00 0.14 0.00 0.00 62.40 63.85 2e5h h SER 63 CO -0.39 0.93 -0.45 0.00 -1.14 0.00 0.00 176.83 175.78 2e5h h ALA 64 N 0.67 -0.48 -0.75 3.77 0.00 -0.31 -1.82 119.26 120.34 2e5h h ALA 64 Ca 0.04 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.10 2e5h h ALA 64 Cb 0.76 0.93 -0.12 0.00 0.00 0.00 0.00 17.79 19.36 2e5h h ALA 64 CO 0.05 -0.89 -0.47 1.96 0.00 0.00 0.00 179.25 179.90 2e5h h GLN 65 N -0.34 -0.14 -0.96 0.00 7.50 -1.55 0.34 115.11 119.95 2e5h h GLN 65 Ca 0.13 0.01 0.30 0.00 0.50 0.00 0.00 58.65 59.59 2e5h h GLN 65 Cb 0.59 0.03 -0.17 0.00 0.05 0.00 0.00 27.48 27.98 2e5h h GLN 65 CO -0.58 -0.09 0.22 -0.97 -1.50 0.00 0.00 178.83 175.91 2e5h h ASN 66 N -0.14 -0.13 -0.14 1.46 -1.24 -1.40 0.75 115.58 114.74 2e5h h ASN 66 Ca 0.20 0.25 -0.19 0.00 0.71 0.00 0.00 56.30 57.27 2e5h h ASN 66 Cb 0.54 0.37 0.00 0.00 0.73 0.00 0.00 38.32 39.96 2e5h h ASN 66 CO -0.80 -0.32 -0.63 0.00 -1.29 0.00 0.00 177.43 174.39 2e5h n THR 68 N -3.96 1.61 0.05 0.00 -1.04 0.26 -1.11 114.28 110.08 2e5h n THR 68 Ca -0.05 0.40 0.02 0.00 -2.04 0.00 0.00 64.05 62.38 2e5h n THR 68 Cb 0.67 -1.37 -0.02 0.00 -1.82 0.00 0.00 70.33 67.78 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 -1.43 1.95 0.05 -2.82 0.63 -0.77 -3.94 116.66 110.32 2e5h n ARG 69 Ca 0.01 -0.02 -0.22 0.00 -0.92 0.00 0.00 57.85 56.69 2e5h n ARG 69 Cb 0.02 -0.95 -0.14 0.00 0.45 0.00 0.00 32.46 31.84 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 0.37 0.13 0.00 5.13 0.00 -0.22 -3.37 119.26 121.30 2e5h h ALA 70 Ca 0.00 -1.07 -0.18 0.00 0.00 0.00 0.00 54.91 53.66 2e5h h ALA 70 Cb 0.13 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2e5h h ALA 70 CO 0.00 0.87 -1.58 0.44 0.00 0.00 0.00 179.25 178.98 2e5h n ILE 71 N -3.79 1.15 -1.73 0.00 -5.35 -0.44 -4.84 119.36 104.35 2e5h n ILE 71 Ca -0.24 -0.70 -0.42 0.00 -0.27 0.00 0.00 62.75 61.12 2e5h n ILE 71 Cb 0.98 -0.67 -0.02 0.00 -1.74 0.00 0.00 39.64 38.19 2e5h n ILE 71 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2e5h n ASN 72 N -2.84 3.63 -3.55 7.28 5.15 -1.25 -2.48 115.26 121.20 2e5h n ASN 72 Ca -0.12 1.14 -0.19 0.00 -0.60 0.00 0.00 54.58 54.81 2e5h n ASN 72 Cb 0.87 -1.56 0.07 0.00 -0.53 0.00 0.00 39.78 38.63 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 2.24 -1.99 -3.81 1.20 5.15 -1.23 -4.90 115.26 111.92 2e5h n ASN 73 Ca 0.09 -0.69 -0.12 0.00 -0.60 0.00 0.00 54.58 53.27 2e5h n ASN 73 Cb 0.35 -4.71 -0.09 0.00 -0.53 0.00 0.00 39.78 34.81 2e5h n ASN 73 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2e5h s LYS 74 N -5.66 0.65 -0.26 1.20 -0.14 -1.04 -5.06 119.74 109.43 2e5h s LYS 74 Ca 0.04 -0.42 -0.15 0.00 -1.36 0.00 0.00 55.97 54.08 2e5h s LYS 74 Cb -0.02 0.28 -0.04 0.00 -1.68 0.00 0.00 37.83 36.37 2e5h s LYS 74 CO 0.76 -0.18 0.38 -0.65 -0.76 0.00 0.00 175.35 174.90 2e5h s GLN 75 N -1.90 4.03 -0.06 1.68 -0.21 -1.26 -1.50 119.66 120.45 2e5h s GLN 75 Ca -0.10 0.06 0.03 0.00 0.02 0.00 0.00 55.36 55.37 2e5h s GLN 75 Cb -0.04 -3.64 0.01 0.00 1.00 0.00 0.00 33.01 30.33 2e5h s GLN 75 CO 0.00 -0.26 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.26 2e5h s LEU 76 N 2.01 1.79 -1.33 2.90 1.02 -1.16 -4.73 118.68 119.18 2e5h s LEU 76 Ca 0.15 -0.33 0.00 0.00 0.02 0.00 0.00 54.13 53.98 2e5h s LEU 76 Cb -0.16 -0.89 0.00 0.00 0.02 0.00 0.00 46.19 45.16 2e5h s LEU 76 CO 0.10 0.09 0.00 0.49 0.02 0.00 0.00 176.35 177.05 2e5h n PHE 77 N 3.50 -1.23 -2.82 0.29 3.01 -1.26 -1.70 117.46 117.25 2e5h n PHE 77 Ca -0.20 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.16 2e5h n PHE 77 Cb 0.52 -3.19 0.05 0.00 -0.01 0.00 0.00 39.48 36.85 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 -0.86 0.03 3.15 1.37 0.00 -1.26 -5.00 105.19 102.62 2e5h n GLY 78 Ca -0.18 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.88 0.28 -0.51 1.61 1.70 -0.69 -5.11 118.95 111.37 2e5h s ARG 79 Ca 0.05 0.46 -0.35 0.00 -0.47 0.00 0.00 55.73 55.42 2e5h s ARG 79 Cb -0.02 0.25 -0.14 0.00 -0.57 0.00 0.00 34.95 34.47 2e5h s ARG 79 CO 0.39 -0.35 2.30 0.28 -1.08 0.00 0.00 175.30 176.85 2e5h n VAL 80 N 5.42 0.09 -3.32 4.99 0.31 -1.26 -2.97 118.33 121.58 2e5h n VAL 80 Ca -0.03 -0.24 -0.38 0.00 -0.01 0.00 0.00 64.34 63.67 2e5h n VAL 80 Cb 0.54 -1.41 -0.06 0.00 -0.91 0.00 0.00 33.84 32.00 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 8.07 5.01 -0.07 2.52 1.01 -0.56 -4.66 121.20 132.52 2e5h s ILE 81 Ca 1.14 1.05 0.02 0.00 0.00 0.00 0.00 60.65 62.87 2e5h s ILE 81 Cb -0.94 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 37.67 2e5h s ILE 81 CO 0.49 0.44 -0.12 -0.54 0.00 0.00 0.00 174.94 175.21 2e5h s LYS 82 N -0.25 2.73 0.10 2.79 3.01 -1.14 -3.53 119.74 123.45 2e5h s LYS 82 Ca 0.27 -0.65 0.09 0.00 -1.01 0.00 0.00 55.97 54.67 2e5h s LYS 82 Cb -0.17 -2.49 -0.04 0.00 -1.01 0.00 0.00 37.83 34.13 2e5h s LYS 82 CO 0.14 0.56 -0.22 0.00 0.51 0.00 0.00 175.35 176.34 2e5h s ALA 83 N -0.56 1.92 -0.29 5.17 0.00 -1.26 -0.87 121.76 125.88 2e5h s ALA 83 Ca 0.08 -1.28 -0.16 0.00 0.00 0.00 0.00 51.96 50.60 2e5h s ALA 83 Cb -0.12 -0.28 0.14 0.00 0.00 0.00 0.00 23.12 22.86 2e5h s ALA 83 CO 0.02 0.40 0.94 -1.12 0.00 0.00 0.00 175.76 176.00 2e5h s SER 84 N -1.88 -0.57 -0.22 0.00 0.01 -0.26 -4.90 113.70 105.88 2e5h s SER 84 Ca 0.08 0.90 -0.35 0.00 1.31 0.00 0.00 55.95 57.89 2e5h s SER 84 Cb -0.10 1.25 -0.12 0.00 0.21 0.00 0.00 66.02 67.26 2e5h s SER 84 CO 0.04 -0.14 1.97 -0.38 0.41 0.00 0.00 173.24 175.14 2e5h n ILE 85 N 3.82 0.39 -2.12 1.44 2.08 -1.26 -1.39 119.36 122.33 2e5h n ILE 85 Ca -0.18 -0.16 -0.43 0.00 0.56 0.00 0.00 62.75 62.53 2e5h n ILE 85 Cb 0.58 -1.70 -0.02 0.00 -0.75 0.00 0.00 39.64 37.74 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 5.25 2.94 0.00 -1.39 0.00 -1.22 -4.86 121.76 122.48 2e5h s ALA 86 Ca 1.00 0.13 0.00 0.00 0.00 0.00 0.00 51.96 53.09 2e5h s ALA 86 Cb -0.81 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 18.33 2e5h s ALA 86 CO 0.53 -2.53 0.00 0.44 0.00 0.00 0.00 175.76 174.20