#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 1.56 -3.60 1.61 3.41 -1.26 -5.04 113.62 110.30 2e5h n SER -5 Ca 0.00 0.08 -0.21 0.00 -0.26 0.00 0.00 58.87 58.48 2e5h n SER -5 Cb 0.00 -0.30 0.05 0.00 -0.26 0.00 0.00 64.21 63.70 2e5h n SER -5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2e5h n SER -4 N -3.32 -2.30 -4.70 4.04 7.64 -1.26 -4.93 113.62 108.80 2e5h n SER -4 Ca -0.23 -0.79 -0.42 0.00 1.01 0.00 0.00 58.87 58.44 2e5h n SER -4 Cb 0.68 -4.30 -0.03 0.00 -1.01 0.00 0.00 64.21 59.55 2e5h n SER -4 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2e5h s GLY -3 N -4.17 2.59 -0.05 0.23 0.00 -1.26 -4.95 107.32 99.71 2e5h s GLY -3 Ca 0.10 0.42 -0.38 0.00 0.00 0.00 0.00 44.72 44.86 2e5h s GLY -3 CO 0.79 1.78 1.06 1.44 0.00 0.00 0.00 173.10 178.18 2e5h n SER -2 N 4.50 0.11 -4.57 1.64 7.64 -1.26 -4.81 113.62 116.87 2e5h n SER -2 Ca 0.07 1.10 -0.42 0.00 1.01 0.00 0.00 58.87 60.63 2e5h n SER -2 Cb 0.50 -0.86 -0.03 0.00 -1.01 0.00 0.00 64.21 62.81 2e5h n SER -2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2e5h s SER -1 N 0.30 6.36 0.00 6.43 0.15 -1.26 -4.55 113.70 121.13 2e5h s SER -1 Ca 0.87 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.45 2e5h s SER -1 Cb -1.22 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 60.54 2e5h s SER -1 CO 0.56 -1.58 0.00 0.61 1.20 0.00 0.00 173.24 174.04 2e5h n GLY 0 N 5.16 -0.51 3.83 9.45 0.00 -1.26 -5.16 105.19 116.70 2e5h n GLY 0 Ca 0.07 0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2e5h n GLY 0 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2e5h s MET 1 N 0.00 4.14 -0.25 1.61 1.00 -1.26 -5.06 119.30 119.48 2e5h s MET 1 Ca 0.00 0.84 0.02 0.00 0.00 0.00 0.00 55.69 56.55 2e5h s MET 1 Cb 0.00 -2.53 0.05 0.00 0.00 0.00 0.00 34.83 32.35 2e5h s MET 1 CO 0.00 0.19 -0.10 0.45 0.00 0.00 0.00 175.02 175.56 2e5h s SER 2 N -2.06 4.30 0.00 3.03 0.15 -1.26 -5.08 113.70 112.79 2e5h s SER 2 Ca 0.52 -1.22 0.00 0.00 0.70 0.00 0.00 55.95 55.95 2e5h s SER 2 Cb -0.12 -1.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 2e5h s SER 2 CO 0.18 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.06 2e5h n GLY 3 N 4.51 1.10 3.55 9.45 0.00 -1.26 -5.07 105.19 117.46 2e5h n GLY 3 Ca -0.15 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 2e5h n GLY 3 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2e5h s GLY 4 N 0.00 1.62 0.12 -0.02 0.00 -1.26 -4.88 107.32 102.90 2e5h s GLY 4 Ca 0.00 -2.74 -0.26 0.00 0.00 0.00 0.00 44.72 41.72 2e5h s GLY 4 CO 0.00 2.58 0.96 0.48 0.00 0.00 0.00 173.10 177.12 2e5h s LEU 5 N 4.05 -0.21 -0.06 0.66 -0.00 -1.26 -5.17 118.68 116.69 2e5h s LEU 5 Ca 0.48 -0.33 -0.03 0.00 -0.00 0.00 0.00 54.13 54.25 2e5h s LEU 5 Cb 0.01 2.11 0.03 0.00 -0.00 0.00 0.00 46.19 48.35 2e5h s LEU 5 CO -0.00 -0.84 0.14 0.00 -0.00 0.00 0.00 176.35 175.65 2e5h s ALA 6 N -3.23 -0.28 -0.54 1.48 0.00 -1.26 -5.11 121.76 112.82 2e5h s ALA 6 Ca 0.11 0.59 -0.27 0.00 0.00 0.00 0.00 51.96 52.39 2e5h s ALA 6 Cb -0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 2e5h s ALA 6 CO 0.00 -0.13 1.82 -1.25 0.00 0.00 0.00 175.76 176.20 2e5h s PRO 7 N 0.86 2.83 0.36 0.00 0.04 -1.26 -4.94 135.00 132.89 2e5h s PRO 7 Ca -0.07 0.80 0.05 0.00 0.04 0.00 0.00 61.00 61.83 2e5h s PRO 7 Cb -0.08 -4.33 -0.07 0.00 0.04 0.00 0.00 34.50 30.06 2e5h s PRO 7 CO -0.04 -2.48 0.04 -1.12 0.04 0.00 0.00 177.00 173.44 2e5h s SER 8 N 7.42 2.97 0.21 6.66 0.01 -1.21 -4.56 113.70 125.21 2e5h s SER 8 Ca 0.69 -1.39 -0.10 0.00 1.31 0.00 0.00 55.95 56.46 2e5h s SER 8 Cb -0.15 -0.16 0.29 0.00 0.21 0.00 0.00 66.02 66.21 2e5h s SER 8 CO 0.24 -0.57 1.71 0.11 0.41 0.00 0.00 173.24 175.14 2e5h h LYS 9 N 1.96 0.25 -1.01 12.44 1.57 -1.93 -0.41 116.57 129.44 2e5h h LYS 9 Ca -0.42 -0.02 0.30 0.00 -1.87 0.00 0.00 60.65 58.65 2e5h h LYS 9 Cb 1.25 -0.06 -0.14 0.00 0.08 0.00 0.00 32.23 33.36 2e5h h LYS 9 CO 0.73 0.17 0.58 0.66 -0.57 0.00 0.00 179.45 181.02 2e5h h SER 10 N 0.26 0.56 -4.14 0.86 4.64 -1.88 -3.41 113.55 110.44 2e5h h SER 10 Ca 0.31 0.17 -0.50 0.00 -0.47 0.00 0.00 61.79 61.31 2e5h h SER 10 Cb 0.46 0.10 0.07 0.00 -0.31 0.00 0.00 62.40 62.73 2e5h h SER 10 CO -0.40 -0.06 0.40 -0.89 -0.87 0.00 0.00 176.83 175.01 2e5h s THR 11 N -5.69 3.38 -0.15 2.95 2.01 -0.16 -2.70 115.64 115.27 2e5h s THR 11 Ca -0.10 0.75 0.00 0.00 0.31 0.00 0.00 61.69 62.65 2e5h s THR 11 Cb 0.29 -3.27 0.03 0.00 0.01 0.00 0.00 72.50 69.56 2e5h s THR 11 CO 0.79 -0.29 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.63 2e5h s VAL 12 N -2.09 1.43 -0.66 3.82 1.01 0.26 -3.75 120.40 120.42 2e5h s VAL 12 Ca 0.69 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.79 2e5h s VAL 12 Cb -0.21 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.78 2e5h s VAL 12 CO 0.32 0.37 1.52 -0.47 0.00 0.00 0.00 175.10 176.85 2e5h s TYR 13 N 1.53 2.04 -0.07 5.22 6.14 -0.34 -1.98 117.35 129.89 2e5h s TYR 13 Ca 0.04 0.36 0.02 0.00 0.64 0.00 0.00 57.07 58.13 2e5h s TYR 13 Cb -0.13 -4.38 -0.02 0.00 0.42 0.00 0.00 41.96 37.84 2e5h s TYR 13 CO -0.10 -2.16 -0.14 0.08 0.64 0.00 0.00 175.55 173.88 2e5h s VAL 14 N 7.05 3.06 0.29 3.14 1.01 -0.50 -1.31 120.40 133.14 2e5h s VAL 14 Ca 0.50 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.80 2e5h s VAL 14 Cb -0.10 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 2e5h s VAL 14 CO 0.19 0.57 0.10 -0.44 0.00 0.00 0.00 175.10 175.52 2e5h s SER 15 N -0.39 1.65 -1.62 3.32 0.01 -0.58 0.25 113.70 116.34 2e5h s SER 15 Ca 0.04 -1.43 0.00 0.00 1.31 0.00 0.00 55.95 55.87 2e5h s SER 15 Cb -0.12 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2e5h s SER 15 CO 0.02 -0.74 0.00 0.59 0.41 0.00 0.00 173.24 173.52 2e5h n ASN 16 N -0.65 -5.08 -4.80 2.44 4.13 -1.25 -2.84 115.26 107.20 2e5h n ASN 16 Ca -0.01 0.16 -0.36 0.00 1.68 0.00 0.00 54.58 56.06 2e5h n ASN 16 Cb 0.66 -4.14 -0.06 0.00 -1.54 0.00 0.00 39.78 34.69 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 -4.56 4.25 -1.10 3.41 1.43 -1.24 -4.63 118.68 116.24 2e5h s LEU 17 Ca 0.00 1.67 -0.23 0.00 -1.03 0.00 0.00 54.13 54.54 2e5h s LEU 17 Cb 0.00 -4.01 -0.08 0.00 0.03 0.00 0.00 46.19 42.13 2e5h s LEU 17 CO 0.00 -0.11 1.94 -2.16 0.23 0.00 0.00 176.35 176.25 2e5h s PRO 18 N -2.31 2.51 0.63 1.29 0.04 -1.26 -3.54 135.00 132.36 2e5h s PRO 18 Ca 0.51 -0.92 0.21 0.00 0.04 0.00 0.00 61.00 60.85 2e5h s PRO 18 Cb -0.16 -5.19 0.95 0.00 0.04 0.00 0.00 34.50 30.14 2e5h s PRO 18 CO 0.21 -3.81 1.47 0.27 0.04 0.00 0.00 177.00 175.17 2e5h h PHE 19 N 10.17 0.00 -0.93 0.56 -5.15 -1.92 0.14 116.94 119.80 2e5h h PHE 19 Ca 0.18 0.00 0.27 0.00 -0.20 0.00 0.00 57.97 58.22 2e5h h PHE 19 Cb 0.96 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 37.09 2e5h h PHE 19 CO 1.21 0.00 0.81 0.77 -2.00 0.00 0.00 178.31 179.10 2e5h h SER 20 N 0.00 0.00 -3.79 -0.68 0.02 -2.04 -3.40 113.55 103.66 2e5h h SER 20 Ca 0.23 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.73 2e5h h SER 20 Cb 1.95 0.00 0.15 0.00 0.14 0.00 0.00 62.40 64.64 2e5h h SER 20 CO -0.00 0.00 0.38 -0.76 -1.14 0.00 0.00 176.83 175.30 2e5h s LEU 21 N -7.66 2.74 0.34 5.07 1.43 0.47 -5.10 118.68 115.96 2e5h s LEU 21 Ca -0.04 0.21 0.09 0.00 -1.03 0.00 0.00 54.13 53.36 2e5h s LEU 21 Cb 0.19 -2.33 -0.06 0.00 0.03 0.00 0.00 46.19 44.02 2e5h s LEU 21 CO 0.66 -2.54 -0.05 0.28 0.23 0.00 0.00 176.35 174.93 2e5h s THR 22 N -3.76 2.44 0.26 5.49 -1.32 -1.26 -5.00 115.64 112.50 2e5h s THR 22 Ca 0.72 -2.10 -0.09 0.00 -1.21 0.00 0.00 61.69 59.01 2e5h s THR 22 Cb -0.05 -2.71 0.41 0.00 -1.51 0.00 0.00 72.50 68.64 2e5h s THR 22 CO 0.51 -0.21 1.57 0.78 -2.21 0.00 0.00 174.62 175.07 2e5h h ASN 23 N 1.92 -0.89 -0.30 8.08 2.35 -1.99 0.27 115.58 125.03 2e5h h ASN 23 Ca -0.42 0.28 0.07 0.00 -0.55 0.00 0.00 56.30 55.67 2e5h h ASN 23 Cb 1.25 0.58 -0.07 0.00 0.05 0.00 0.00 38.32 40.14 2e5h h ASN 23 CO 0.68 -0.31 -0.15 -1.13 -1.65 0.00 0.00 177.43 174.88 2e5h h ASN 24 N -0.00 -0.49 -0.09 5.81 -0.73 -2.00 -2.06 115.58 116.02 2e5h h ASN 24 Ca 0.44 0.12 0.01 0.00 1.87 0.00 0.00 56.30 58.74 2e5h h ASN 24 Cb 0.68 0.27 -0.02 0.00 0.27 0.00 0.00 38.32 39.51 2e5h h ASN 24 CO -0.96 -0.18 -0.16 0.44 -0.37 0.00 0.00 177.43 176.20 2e5h h ASP 25 N -0.10 -0.53 -0.68 1.15 5.19 -0.85 -1.68 116.42 118.91 2e5h h ASP 25 Ca 0.16 0.07 0.10 0.00 -0.62 0.00 0.00 57.03 56.73 2e5h h ASP 25 Cb 0.34 0.21 -0.12 0.00 0.18 0.00 0.00 39.33 39.95 2e5h h ASP 25 CO -0.37 -0.13 -0.44 -0.07 -3.12 0.00 0.00 179.24 175.12 2e5h h LEU 26 N -0.14 -1.52 -0.84 1.55 3.38 -1.31 0.34 115.31 116.77 2e5h h LEU 26 Ca 0.02 0.26 0.12 0.00 0.09 0.00 0.00 57.88 58.37 2e5h h LEU 26 Cb 0.18 0.71 -0.14 0.00 0.09 0.00 0.00 40.66 41.51 2e5h h LEU 26 CO -0.16 -0.32 -0.42 0.22 0.09 0.00 0.00 178.44 177.85 2e5h h TYR 27 N -0.17 -1.24 0.69 1.13 5.03 -0.84 0.21 116.97 121.79 2e5h h TYR 27 Ca 0.21 0.10 -0.03 0.00 2.58 0.00 0.00 58.73 61.58 2e5h h TYR 27 Cb 0.55 0.66 0.01 0.00 1.55 0.00 0.00 36.73 39.50 2e5h h TYR 27 CO -0.76 -0.40 -0.33 0.00 -1.32 0.00 0.00 178.16 175.35 2e5h h ARG 28 N -0.08 -0.90 -0.96 1.82 3.08 -0.20 -1.19 114.38 115.96 2e5h h ARG 28 Ca 0.26 0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.49 2e5h h ARG 28 Cb 0.55 0.20 -0.14 0.00 0.08 0.00 0.00 29.97 30.67 2e5h h ARG 28 CO -0.87 -0.60 -0.46 -0.89 -1.07 0.00 0.00 179.97 176.09 2e5h n ILE 29 N -5.39 -0.57 0.27 2.04 5.41 0.10 0.24 119.36 121.46 2e5h n ILE 29 Ca -0.12 2.28 0.15 0.00 1.00 0.00 0.00 62.75 66.07 2e5h n ILE 29 Cb 0.37 -2.92 0.73 0.00 -0.71 0.00 0.00 39.64 37.11 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 0.00 1.39 0.04 -0.65 -2.50 116.94 115.22 2e5h h PHE 30 Ca 0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.02 2e5h h PHE 30 Cb 0.49 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.64 2e5h h PHE 30 CO -0.91 0.08 0.01 0.45 -0.60 0.00 0.00 178.31 177.34 2e5h n SER 31 N -3.30 0.36 0.26 2.17 2.88 0.65 -0.95 113.62 115.69 2e5h n SER 31 Ca -0.01 0.66 0.15 0.00 -1.33 0.00 0.00 58.87 58.35 2e5h n SER 31 Cb 0.28 -0.71 0.65 0.00 -0.75 0.00 0.00 64.21 63.68 2e5h n SER 31 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2e5h h LYS 32 N 0.00 0.00 0.00 -1.46 2.10 -1.32 -3.27 116.57 112.62 2e5h h LYS 32 Ca 0.00 0.00 -0.41 0.00 -2.00 0.00 0.00 60.65 58.24 2e5h h LYS 32 Cb 0.02 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.28 2e5h h LYS 32 CO 0.00 0.08 -2.44 0.66 -2.00 0.00 0.00 179.45 175.76 2e5h n TYR 33 N -3.24 0.00 -3.63 0.07 4.01 -0.12 -5.05 117.16 109.20 2e5h n TYR 33 Ca -0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 2e5h n TYR 33 Cb 0.32 -0.94 -0.07 0.00 -0.31 0.00 0.00 39.34 38.34 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 -5.80 -0.46 0.16 2.72 0.00 -1.13 -4.91 107.32 97.90 2e5h s GLY 34 Ca -0.35 1.40 -0.34 0.00 0.00 0.00 0.00 44.72 45.43 2e5h s GLY 34 CO 0.50 1.12 1.30 1.17 0.00 0.00 0.00 173.10 177.18 2e5h n LYS 35 N 1.90 1.43 -3.86 2.90 3.00 -1.26 -4.12 118.16 118.15 2e5h n LYS 35 Ca -0.17 0.51 -0.37 0.00 -0.00 0.00 0.00 58.31 58.29 2e5h n LYS 35 Cb 0.56 -2.10 -0.06 0.00 0.00 0.00 0.00 35.03 33.42 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 0.12 5.49 -0.14 3.15 1.01 -1.26 -2.32 120.40 126.44 2e5h s VAL 36 Ca 0.76 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.97 2e5h s VAL 36 Cb -0.82 -3.41 -0.10 0.00 0.00 0.00 0.00 36.38 32.05 2e5h s VAL 36 CO 0.49 0.60 -0.11 0.52 0.00 0.00 0.00 175.10 176.60 2e5h n VAL 37 N 2.19 0.84 -3.76 2.92 0.31 -0.94 -4.88 118.33 115.01 2e5h n VAL 37 Ca -0.19 -0.35 -0.13 0.00 -0.01 0.00 0.00 64.34 63.66 2e5h n VAL 37 Cb 0.55 -0.98 -0.09 0.00 -0.91 0.00 0.00 33.84 32.41 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 -2.29 0.57 0.13 5.55 1.02 -1.23 -5.08 119.74 118.41 2e5h s LYS 38 Ca -0.18 0.01 0.08 0.00 0.02 0.00 0.00 55.97 55.90 2e5h s LYS 38 Cb 0.05 0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.58 2e5h s LYS 38 CO 0.36 -0.14 -0.12 0.08 -0.92 0.00 0.00 175.35 174.62 2e5h s VAL 39 N -0.85 3.19 -0.02 3.17 1.01 -1.26 -1.69 120.40 123.95 2e5h s VAL 39 Ca -0.09 -1.43 -0.06 0.00 0.00 0.00 0.00 61.98 60.40 2e5h s VAL 39 Cb -0.04 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.83 2e5h s VAL 39 CO 0.03 0.05 0.13 -0.89 0.00 0.00 0.00 175.10 174.42 2e5h s THR 40 N -1.33 0.05 -0.03 3.92 2.01 0.63 -4.98 115.64 115.92 2e5h s THR 40 Ca 0.21 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 61.82 2e5h s THR 40 Cb -0.10 -0.32 0.02 0.00 0.01 0.00 0.00 72.50 72.11 2e5h s THR 40 CO 0.13 -0.22 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.19 2e5h s ILE 41 N -0.75 0.36 0.78 1.82 1.01 -1.26 0.55 121.20 123.71 2e5h s ILE 41 Ca -0.08 -0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.41 2e5h s ILE 41 Cb -0.05 -0.41 0.06 0.00 0.01 0.00 0.00 42.46 42.07 2e5h s ILE 41 CO 0.01 0.18 1.12 -0.04 0.00 0.00 0.00 174.94 176.21 2e5h s MET 42 N 0.88 2.19 -0.16 2.79 -1.94 0.61 -4.93 119.30 118.74 2e5h s MET 42 Ca -0.10 0.38 -0.15 0.00 -1.71 0.00 0.00 55.69 54.11 2e5h s MET 42 Cb -0.13 -1.95 0.04 0.00 2.01 0.00 0.00 34.83 34.80 2e5h s MET 42 CO -0.01 -1.49 0.44 0.15 -0.01 0.00 0.00 175.02 174.10 2e5h s LYS 43 N -5.36 0.52 0.78 2.03 1.02 -1.26 -4.10 119.74 113.36 2e5h s LYS 43 Ca 0.61 0.59 -0.11 0.00 0.02 0.00 0.00 55.97 57.07 2e5h s LYS 43 Cb -0.12 0.25 0.06 0.00 -0.52 0.00 0.00 37.83 37.50 2e5h s LYS 43 CO 0.52 -0.07 1.10 0.34 -0.92 0.00 0.00 175.35 176.32 2e5h s ASP 44 N 0.19 4.72 0.00 2.83 2.15 -0.89 -4.81 116.67 120.85 2e5h s ASP 44 Ca -0.00 1.27 0.21 0.00 0.43 0.00 0.00 52.55 54.46 2e5h s ASP 44 Cb -0.03 -2.02 -0.18 0.00 -0.30 0.00 0.00 42.92 40.39 2e5h s ASP 44 CO 0.01 -1.82 0.94 1.17 -0.17 0.00 0.00 175.17 175.29 2e5h n LYS 45 N -3.33 0.04 -0.04 4.34 3.00 -1.26 -3.24 118.16 117.68 2e5h n LYS 45 Ca 0.07 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.31 58.30 2e5h n LYS 45 Cb 0.56 -1.50 -0.01 0.00 0.00 0.00 0.00 35.03 34.08 2e5h n LYS 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2e5h n ASP 46 N -1.45 1.07 0.07 3.14 8.00 -1.26 -4.67 116.55 121.45 2e5h n ASP 46 Ca 0.04 0.18 0.13 0.00 0.71 0.00 0.00 54.79 55.84 2e5h n ASP 46 Cb 0.34 -0.56 0.31 0.00 -0.02 0.00 0.00 41.12 41.19 2e5h n ASP 46 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2e5h n THR 47 N -3.56 0.43 -3.86 -3.53 -2.24 -1.26 -4.94 114.28 95.31 2e5h n THR 47 Ca -0.07 -0.25 -0.29 0.00 -2.27 0.00 0.00 64.05 61.17 2e5h n THR 47 Cb 0.25 -0.34 0.03 0.00 -2.10 0.00 0.00 70.33 68.17 2e5h n THR 47 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2e5h n ARG 48 N -2.11 -5.86 -4.28 -0.78 5.12 -1.20 -4.95 116.66 102.59 2e5h n ARG 48 Ca 0.05 0.63 -0.30 0.00 -1.93 0.00 0.00 57.85 56.30 2e5h n ARG 48 Cb 0.42 -5.54 -0.11 0.00 -1.16 0.00 0.00 32.46 26.08 2e5h n ARG 48 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2e5h s LYS 49 N -6.55 1.96 0.22 5.56 -0.14 -1.26 -4.71 119.74 114.82 2e5h s LYS 49 Ca 0.63 -1.10 -0.07 0.00 -1.36 0.00 0.00 55.97 54.07 2e5h s LYS 49 Cb -0.31 -2.21 0.18 0.00 -1.68 0.00 0.00 37.83 33.82 2e5h s LYS 49 CO 0.82 0.50 1.78 1.03 -0.76 0.00 0.00 175.35 178.72 2e5h h SER 50 N 3.71 1.08 -2.08 2.83 0.87 -1.94 -2.37 113.55 115.66 2e5h h SER 50 Ca -0.49 -0.17 -0.41 0.00 -1.23 0.00 0.00 61.79 59.49 2e5h h SER 50 Cb 1.17 -0.28 -0.09 0.00 -0.44 0.00 0.00 62.40 62.76 2e5h h SER 50 CO 0.49 0.96 -0.45 0.29 -0.53 0.00 0.00 176.83 177.59 2e5h n LYS 51 N -4.27 -1.59 0.00 2.24 5.02 -1.26 -2.26 118.16 116.04 2e5h n LYS 51 Ca 0.07 1.08 0.00 0.00 -2.02 0.00 0.00 58.31 57.44 2e5h n LYS 51 Cb 0.19 -5.60 0.00 0.00 -0.02 0.00 0.00 35.03 29.60 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 1.43 3.52 0.72 0.00 -1.23 -3.93 105.19 105.02 2e5h n GLY 52 Ca -0.22 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.03 -4.13 1.61 0.31 -0.96 -3.62 118.33 111.51 2e5h n VAL 53 Ca 0.00 -0.37 -0.15 0.00 -0.01 0.00 0.00 64.34 63.81 2e5h n VAL 53 Cb 0.00 -1.29 -0.11 0.00 -0.91 0.00 0.00 33.84 31.53 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 9.29 0.93 -0.13 3.52 0.00 0.14 -0.29 121.76 135.23 2e5h s ALA 54 Ca 1.20 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 52.15 2e5h s ALA 54 Cb -0.75 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 2e5h s ALA 54 CO 0.39 0.01 -0.10 -0.06 0.00 0.00 0.00 175.76 176.00 2e5h s PHE 55 N -1.81 2.86 -0.15 0.00 0.40 0.19 -1.41 117.98 118.06 2e5h s PHE 55 Ca -0.02 -0.47 -0.02 0.00 -0.60 0.00 0.00 56.93 55.82 2e5h s PHE 55 Cb -0.07 -1.84 -0.02 0.00 0.51 0.00 0.00 43.02 41.60 2e5h s PHE 55 CO 0.01 -0.10 -0.08 0.42 0.70 0.00 0.00 175.22 176.17 2e5h s ILE 56 N 0.18 3.44 -0.19 0.64 -1.09 -0.84 -0.27 121.20 123.07 2e5h s ILE 56 Ca -0.06 -0.51 -0.07 0.00 -2.23 0.00 0.00 60.65 57.77 2e5h s ILE 56 Cb -0.15 -2.49 -0.04 0.00 -1.58 0.00 0.00 42.46 38.21 2e5h s ILE 56 CO 0.04 0.50 0.07 -0.22 -1.23 0.00 0.00 174.94 174.10 2e5h s LEU 57 N 0.50 3.75 0.20 2.97 0.20 -0.68 0.90 118.68 126.53 2e5h s LEU 57 Ca -0.06 0.03 0.08 0.00 0.69 0.00 0.00 54.13 54.87 2e5h s LEU 57 Cb -0.15 -1.96 -0.04 0.00 -0.43 0.00 0.00 46.19 43.61 2e5h s LEU 57 CO 0.03 0.14 0.02 -0.36 -0.29 0.00 0.00 176.35 175.89 2e5h s PHE 58 N 0.60 2.85 0.20 5.38 0.40 -1.10 -2.20 117.98 124.10 2e5h s PHE 58 Ca 0.03 -0.15 -0.11 0.00 -0.60 0.00 0.00 56.93 56.10 2e5h s PHE 58 Cb -0.13 -1.34 0.23 0.00 0.51 0.00 0.00 43.02 42.29 2e5h s PHE 58 CO 0.01 0.54 1.75 1.25 0.70 0.00 0.00 175.22 179.48 2e5h h LEU 59 N 2.36 0.23 -7.90 -0.37 5.85 -1.80 -3.41 115.31 110.27 2e5h h LEU 59 Ca -0.47 0.07 -0.46 0.00 0.84 0.00 0.00 57.88 57.86 2e5h h LEU 59 Cb 1.22 0.04 -0.33 0.00 0.37 0.00 0.00 40.66 41.96 2e5h h LEU 59 CO 0.59 0.15 -0.80 -0.62 -0.34 0.00 0.00 178.44 177.42 2e5h s ASP 60 N -5.40 1.39 0.29 1.25 -1.08 -1.26 -5.03 116.67 106.82 2e5h s ASP 60 Ca -0.13 -0.22 0.03 0.00 -0.52 0.00 0.00 52.55 51.71 2e5h s ASP 60 Cb 0.16 -0.62 0.73 0.00 -1.46 0.00 0.00 42.92 41.73 2e5h s ASP 60 CO 0.74 0.01 1.67 0.07 0.52 0.00 0.00 175.17 178.18 2e5h h LYS 61 N 6.95 0.28 -0.99 4.34 2.10 -1.85 0.13 116.57 127.53 2e5h h LYS 61 Ca -0.34 -0.02 0.35 0.00 -2.00 0.00 0.00 60.65 58.64 2e5h h LYS 61 Cb 1.17 -0.06 -0.17 0.00 -0.90 0.00 0.00 32.23 32.26 2e5h h LYS 61 CO 0.48 0.19 0.37 -0.44 -2.00 0.00 0.00 179.45 178.05 2e5h h ASP 62 N 0.29 0.09 -0.03 7.07 5.19 -1.95 0.37 116.42 127.44 2e5h h ASP 62 Ca 0.56 0.25 -0.08 0.00 -0.62 0.00 0.00 57.03 57.14 2e5h h ASP 62 Cb 1.11 0.32 0.00 0.00 0.18 0.00 0.00 39.33 40.94 2e5h h ASP 62 CO -0.59 -0.36 -0.30 0.77 -3.12 0.00 0.00 179.24 175.64 2e5h h SER 63 N 0.06 0.32 -0.50 6.45 4.64 -1.11 -3.26 113.55 120.14 2e5h h SER 63 Ca 0.74 -0.70 0.10 0.00 -0.47 0.00 0.00 61.79 61.46 2e5h h SER 63 Cb 1.80 -0.10 -0.10 0.00 -0.31 0.00 0.00 62.40 63.70 2e5h h SER 63 CO -0.79 0.97 -0.17 0.00 -0.87 0.00 0.00 176.83 175.97 2e5h h ALA 64 N 0.35 0.25 -0.09 5.18 0.00 -0.17 -2.24 119.26 122.55 2e5h h ALA 64 Ca -0.03 0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2e5h h ALA 64 Cb 0.99 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 2e5h h ALA 64 CO 0.06 -0.49 -0.52 1.96 0.00 0.00 0.00 179.25 180.26 2e5h h GLN 65 N -0.05 -0.58 -0.92 0.00 4.20 -1.21 -2.17 115.11 114.39 2e5h h GLN 65 Ca 0.24 0.04 0.11 0.00 0.06 0.00 0.00 58.65 59.10 2e5h h GLN 65 Cb 0.42 0.13 -0.13 0.00 0.30 0.00 0.00 27.48 28.20 2e5h h GLN 65 CO -0.55 -0.38 -0.44 -1.71 -0.67 0.00 0.00 178.83 175.07 2e5h n ASN 66 N -5.45 -0.77 -0.14 1.46 5.15 -0.86 0.22 115.26 114.87 2e5h n ASN 66 Ca -0.06 1.61 0.17 0.00 -0.60 0.00 0.00 54.58 55.70 2e5h n ASN 66 Cb 0.38 -0.29 0.55 0.00 -0.53 0.00 0.00 39.78 39.89 2e5h n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2e5h n THR 68 N -4.45 0.19 -0.00 0.00 -1.04 0.59 -1.99 114.28 107.58 2e5h n THR 68 Ca 0.14 0.05 0.01 0.00 -2.04 0.00 0.00 64.05 62.21 2e5h n THR 68 Cb 0.57 -0.84 -0.02 0.00 -1.82 0.00 0.00 70.33 68.22 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 -1.08 0.15 -0.07 -2.82 0.63 0.15 -4.02 116.66 109.59 2e5h n ARG 69 Ca 0.09 -0.03 -0.11 0.00 -0.92 0.00 0.00 57.85 56.88 2e5h n ARG 69 Cb 0.06 -1.07 -0.10 0.00 0.45 0.00 0.00 32.46 31.80 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 0.27 0.01 0.12 5.13 0.00 -0.86 -3.38 119.26 120.53 2e5h h ALA 70 Ca -0.00 -0.41 -0.31 0.00 0.00 0.00 0.00 54.91 54.19 2e5h h ALA 70 Cb 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2e5h h ALA 70 CO 0.00 0.02 -1.56 -0.84 0.00 0.00 0.00 179.25 176.87 2e5h h ILE 71 N -1.00 1.12 -1.26 0.00 3.07 -1.76 -3.44 117.51 114.24 2e5h h ILE 71 Ca -0.01 -2.77 -0.81 0.00 1.55 0.00 0.00 64.86 62.83 2e5h h ILE 71 Cb 0.79 2.74 0.02 0.00 -0.27 0.00 0.00 36.82 40.10 2e5h h ILE 71 CO -0.00 0.81 0.74 -3.20 -1.05 0.00 0.00 178.15 175.45 2e5h n ASN 72 N -3.45 1.67 -2.56 2.16 2.85 -1.26 0.16 115.26 114.84 2e5h n ASN 72 Ca -0.17 1.14 -0.16 0.00 -0.11 0.00 0.00 54.58 55.28 2e5h n ASN 72 Cb 1.04 -1.00 0.05 0.00 1.24 0.00 0.00 39.78 41.11 2e5h n ASN 72 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2e5h n ASN 73 N 4.42 -4.68 -4.09 1.20 2.85 -1.23 -4.88 115.26 108.85 2e5h n ASN 73 Ca 0.28 -0.36 -0.13 0.00 -0.11 0.00 0.00 54.58 54.26 2e5h n ASN 73 Cb 0.04 -3.52 -0.11 0.00 1.24 0.00 0.00 39.78 37.43 2e5h n ASN 73 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2e5h s LYS 74 N -5.79 0.61 -0.26 1.20 2.47 0.12 -5.04 119.74 113.05 2e5h s LYS 74 Ca 0.36 -0.89 -0.14 0.00 -1.56 0.00 0.00 55.97 53.74 2e5h s LYS 74 Cb -0.16 -0.31 -0.04 0.00 -1.46 0.00 0.00 37.83 35.87 2e5h s LYS 74 CO 0.48 0.04 0.33 -0.65 0.16 0.00 0.00 175.35 175.71 2e5h s GLN 75 N -2.06 4.04 -0.02 4.03 -0.21 -1.26 -1.36 119.66 122.81 2e5h s GLN 75 Ca -0.05 -0.02 0.04 0.00 0.02 0.00 0.00 55.36 55.35 2e5h s GLN 75 Cb -0.07 -3.63 -0.01 0.00 1.00 0.00 0.00 33.01 30.31 2e5h s GLN 75 CO -0.01 -0.19 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.32 2e5h s LEU 76 N 1.81 1.98 -1.23 2.90 1.02 -1.12 -4.75 118.68 119.28 2e5h s LEU 76 Ca 0.14 -0.27 -0.06 0.00 0.02 0.00 0.00 54.13 53.96 2e5h s LEU 76 Cb -0.15 -0.77 0.04 0.00 0.02 0.00 0.00 46.19 45.32 2e5h s LEU 76 CO 0.09 0.16 0.34 0.49 0.02 0.00 0.00 176.35 177.46 2e5h n PHE 77 N 2.86 -1.69 -3.31 0.29 3.01 -1.26 -0.74 117.46 116.61 2e5h n PHE 77 Ca -0.15 0.32 -0.18 0.00 1.01 0.00 0.00 57.45 58.45 2e5h n PHE 77 Cb 0.54 -3.07 0.06 0.00 -0.01 0.00 0.00 39.48 37.01 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 -1.09 -0.19 3.20 1.37 0.00 -1.26 -4.99 105.19 102.22 2e5h n GLY 78 Ca -0.07 0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.89 0.50 -0.28 1.61 1.70 0.08 -5.12 118.95 111.55 2e5h s ARG 79 Ca 0.40 0.93 -0.38 0.00 -0.47 0.00 0.00 55.73 56.21 2e5h s ARG 79 Cb -0.17 0.52 -0.14 0.00 -0.57 0.00 0.00 34.95 34.59 2e5h s ARG 79 CO 0.56 -0.50 1.88 0.28 -1.08 0.00 0.00 175.30 176.44 2e5h n VAL 80 N 5.43 0.31 -3.76 4.99 0.31 -1.26 -2.77 118.33 121.56 2e5h n VAL 80 Ca -0.03 -0.11 -0.36 0.00 -0.01 0.00 0.00 64.34 63.83 2e5h n VAL 80 Cb 0.51 -1.38 -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 4.60 5.34 -0.12 2.52 1.01 -0.47 -4.63 121.20 129.46 2e5h s ILE 81 Ca 1.01 0.30 0.00 0.00 0.00 0.00 0.00 60.65 61.97 2e5h s ILE 81 Cb -0.99 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 37.94 2e5h s ILE 81 CO 0.60 0.51 -0.13 -0.54 0.00 0.00 0.00 174.94 175.39 2e5h s LYS 82 N -1.33 3.27 -0.06 2.79 -0.14 -1.13 -3.50 119.74 119.63 2e5h s LYS 82 Ca 0.22 -0.67 0.04 0.00 -1.36 0.00 0.00 55.97 54.19 2e5h s LYS 82 Cb -0.13 -2.61 -0.00 0.00 -1.68 0.00 0.00 37.83 33.40 2e5h s LYS 82 CO 0.11 0.28 -0.19 0.00 -0.76 0.00 0.00 175.35 174.79 2e5h s ALA 83 N 0.18 1.70 -0.23 5.17 0.00 -1.26 -1.52 121.76 125.80 2e5h s ALA 83 Ca -0.07 -0.75 -0.15 0.00 0.00 0.00 0.00 51.96 50.99 2e5h s ALA 83 Cb -0.15 -0.61 0.07 0.00 0.00 0.00 0.00 23.12 22.43 2e5h s ALA 83 CO 0.05 0.27 0.58 -1.54 0.00 0.00 0.00 175.76 175.11 2e5h s SER 84 N 0.20 -0.72 0.04 0.00 1.04 -0.43 -4.81 113.70 109.02 2e5h s SER 84 Ca -0.09 1.24 -0.33 0.00 0.48 0.00 0.00 55.95 57.24 2e5h s SER 84 Cb -0.14 1.16 -0.12 0.00 0.10 0.00 0.00 66.02 67.01 2e5h s SER 84 CO 0.04 -0.22 1.77 -0.38 0.98 0.00 0.00 173.24 175.44 2e5h n ILE 85 N 3.82 0.35 -2.95 -1.02 2.08 -1.26 -1.20 119.36 119.18 2e5h n ILE 85 Ca -0.19 -0.06 -0.43 0.00 0.56 0.00 0.00 62.75 62.63 2e5h n ILE 85 Cb 0.57 -1.81 -0.05 0.00 -0.75 0.00 0.00 39.64 37.59 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 2.76 3.27 0.00 -1.39 0.00 -1.25 -4.84 121.76 120.31 2e5h s ALA 86 Ca 0.86 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2e5h s ALA 86 Cb -0.64 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 18.95 2e5h s ALA 86 CO 0.44 -2.04 0.33 0.44 0.00 0.00 0.00 175.76 174.93