#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 6.49 -0.03 1.61 0.01 -1.26 -4.83 113.70 115.69 2e5h s SER -5 Ca 0.00 -1.42 -0.22 0.00 1.31 0.00 0.00 55.95 55.62 2e5h s SER -5 Cb 0.00 -2.56 -0.16 0.00 0.21 0.00 0.00 66.02 63.51 2e5h s SER -5 CO 0.00 -1.51 1.00 -1.28 0.41 0.00 0.00 173.24 171.85 2e5h h SER -4 N 9.78 -0.24 -5.00 2.44 0.87 -2.13 -3.49 113.55 115.78 2e5h h SER -4 Ca 0.17 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2e5h h SER -4 Cb 1.01 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 62.97 2e5h h SER -4 CO 1.41 0.24 -1.03 0.61 -0.53 0.00 0.00 176.83 177.53 2e5h n GLY -3 N 0.27 -4.17 3.80 5.77 0.00 -1.26 -5.02 105.19 104.58 2e5h n GLY -3 Ca -0.08 0.86 -0.22 0.00 0.00 0.00 0.00 46.02 46.58 2e5h n GLY -3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e5h s SER -2 N -0.48 5.39 0.03 1.61 1.04 -1.26 -5.06 113.70 114.98 2e5h s SER -2 Ca -0.13 -0.30 -0.02 0.00 0.48 0.00 0.00 55.95 55.98 2e5h s SER -2 Cb 0.01 -1.33 -0.01 0.00 0.10 0.00 0.00 66.02 64.79 2e5h s SER -2 CO 0.36 -0.03 -0.04 -1.20 0.98 0.00 0.00 173.24 173.31 2e5h n SER -1 N -1.14 0.82 0.00 7.02 7.64 -1.26 -5.16 113.62 121.54 2e5h n SER -1 Ca -0.08 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2e5h n SER -1 Cb 0.58 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 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 3.10 -0.46 3.72 0.23 0.00 -1.26 -5.14 105.19 105.38 2e5h n GLY 0 Ca -0.03 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.81 1.90 -0.99 1.61 0.00 -1.26 -4.96 119.30 113.79 2e5h s MET 1 Ca 0.00 1.65 -0.09 0.00 0.00 0.00 0.00 55.69 57.25 2e5h s MET 1 Cb 0.00 -1.82 0.25 0.00 0.00 0.00 0.00 34.83 33.26 2e5h s MET 1 CO 0.00 -1.99 0.96 0.45 0.00 0.00 0.00 175.02 174.43 2e5h s SER 2 N -2.30 6.92 -0.30 -1.18 0.15 -1.26 -5.03 113.70 110.70 2e5h s SER 2 Ca 0.71 -3.37 -0.38 0.00 0.70 0.00 0.00 55.95 53.62 2e5h s SER 2 Cb -0.26 -2.15 -0.17 0.00 -1.71 0.00 0.00 66.02 61.72 2e5h s SER 2 CO 0.49 -0.34 1.22 0.61 1.20 0.00 0.00 173.24 176.41 2e5h n GLY 3 N 2.98 0.05 0.00 9.45 0.00 -1.26 -4.54 105.19 111.87 2e5h n GLY 3 Ca 0.20 0.79 0.00 0.00 0.00 0.00 0.00 46.02 47.01 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 2.77 0.07 3.68 -0.02 0.00 -1.26 -5.09 105.19 105.34 2e5h n GLY 4 Ca 0.23 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 2e5h n GLY 4 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2e5h s LEU 5 N 0.00 4.38 -0.23 0.99 0.20 -1.26 -4.88 118.68 117.87 2e5h s LEU 5 Ca 0.00 2.52 -0.28 0.00 0.69 0.00 0.00 54.13 57.06 2e5h s LEU 5 Cb 0.00 -3.55 -0.05 0.00 -0.43 0.00 0.00 46.19 42.15 2e5h s LEU 5 CO 0.00 -0.94 2.23 0.00 -0.29 0.00 0.00 176.35 177.35 2e5h n ALA 6 N 6.13 1.73 -1.25 5.97 0.00 -1.26 -4.95 120.51 126.89 2e5h n ALA 6 Ca 0.17 -0.26 -0.31 0.00 0.00 0.00 0.00 53.44 53.05 2e5h n ALA 6 Cb 0.40 -2.91 0.10 0.00 0.00 0.00 0.00 19.45 17.05 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 6.41 2.08 0.30 0.00 0.04 -1.26 -5.07 135.00 137.50 2e5h s PRO 7 Ca 1.02 1.11 -0.02 0.00 0.04 0.00 0.00 61.00 63.15 2e5h s PRO 7 Cb -0.37 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.30 2e5h s PRO 7 CO 0.36 -1.75 0.42 0.43 0.04 0.00 0.00 177.00 176.50 2e5h n SER 8 N -3.59 -1.17 -0.29 6.66 7.64 -1.14 -4.86 113.62 116.87 2e5h n SER 8 Ca 0.09 -2.62 -0.05 0.00 1.01 0.00 0.00 58.87 57.30 2e5h n SER 8 Cb 0.53 2.19 0.07 0.00 -1.01 0.00 0.00 64.21 65.99 2e5h n SER 8 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2e5h h LYS 9 N 0.00 1.11 -0.79 1.43 1.57 -1.81 -2.75 116.57 115.33 2e5h h LYS 9 Ca -0.23 -0.12 0.18 0.00 -1.87 0.00 0.00 60.65 58.61 2e5h h LYS 9 Cb 1.02 -0.22 -0.13 0.00 0.08 0.00 0.00 32.23 32.97 2e5h h LYS 9 CO 0.32 0.80 0.05 0.77 -0.57 0.00 0.00 179.45 180.82 2e5h h SER 10 N 1.11 -0.28 -3.01 0.86 0.02 -1.88 -3.41 113.55 106.96 2e5h h SER 10 Ca 0.28 0.20 -0.53 0.00 -0.84 0.00 0.00 61.79 60.90 2e5h h SER 10 Cb 0.00 0.33 0.08 0.00 0.14 0.00 0.00 62.40 62.95 2e5h h SER 10 CO -0.05 -0.17 0.91 0.41 -1.14 0.00 0.00 176.83 176.78 2e5h n THR 11 N -5.32 0.66 -4.28 -2.27 -1.04 -1.04 -3.41 114.28 97.57 2e5h n THR 11 Ca 0.15 -0.16 -0.34 0.00 -2.04 0.00 0.00 64.05 61.66 2e5h n THR 11 Cb 0.52 -1.93 -0.14 0.00 -1.82 0.00 0.00 70.33 66.96 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 0.40 3.40 -0.68 12.58 1.01 0.90 -1.99 120.40 136.02 2e5h s VAL 12 Ca 0.68 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.91 2e5h s VAL 12 Cb -0.51 -2.50 0.05 0.00 0.00 0.00 0.00 36.38 33.42 2e5h s VAL 12 CO 0.43 0.47 1.08 -0.47 0.00 0.00 0.00 175.10 176.61 2e5h s TYR 13 N 0.88 2.54 -0.16 5.22 6.14 0.54 -1.62 117.35 130.89 2e5h s TYR 13 Ca -0.02 -0.33 -0.00 0.00 0.64 0.00 0.00 57.07 57.36 2e5h s TYR 13 Cb -0.15 -4.41 -0.01 0.00 0.42 0.00 0.00 41.96 37.82 2e5h s TYR 13 CO 0.01 -1.79 -0.14 0.08 0.64 0.00 0.00 175.55 174.35 2e5h s VAL 14 N 4.68 2.82 0.50 3.14 1.01 -0.72 -1.18 120.40 130.65 2e5h s VAL 14 Ca 0.27 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.55 2e5h s VAL 14 Cb -0.13 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2e5h s VAL 14 CO 0.13 0.51 0.02 -0.44 0.00 0.00 0.00 175.10 175.31 2e5h s SER 15 N 0.78 3.96 -1.78 3.32 0.01 -0.36 -0.04 113.70 119.60 2e5h s SER 15 Ca -0.05 -1.65 0.00 0.00 1.31 0.00 0.00 55.95 55.55 2e5h s SER 15 Cb -0.15 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.58 2e5h s SER 15 CO 0.01 -0.86 0.00 0.59 0.41 0.00 0.00 173.24 173.39 2e5h n ASN 16 N -1.27 -5.54 -4.79 2.44 4.13 -1.25 -2.92 115.26 106.05 2e5h n ASN 16 Ca -0.17 0.12 -0.37 0.00 1.68 0.00 0.00 54.58 55.84 2e5h n ASN 16 Cb 0.67 -4.69 -0.06 0.00 -1.54 0.00 0.00 39.78 34.16 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 -5.68 4.37 -1.06 3.41 1.43 -1.11 -4.54 118.68 115.49 2e5h s LEU 17 Ca 0.00 1.64 -0.23 0.00 -1.03 0.00 0.00 54.13 54.51 2e5h s LEU 17 Cb 0.00 -3.76 -0.07 0.00 0.03 0.00 0.00 46.19 42.39 2e5h s LEU 17 CO 0.00 0.01 1.94 -2.16 0.23 0.00 0.00 176.35 176.36 2e5h s PRO 18 N -1.92 2.52 0.58 1.29 0.04 -1.26 -3.91 135.00 132.34 2e5h s PRO 18 Ca 0.46 -0.80 0.37 0.00 0.04 0.00 0.00 61.00 61.07 2e5h s PRO 18 Cb -0.18 -5.17 1.38 0.00 0.04 0.00 0.00 34.50 30.57 2e5h s PRO 18 CO 0.23 -3.73 1.56 0.27 0.04 0.00 0.00 177.00 175.37 2e5h h PHE 19 N 10.39 0.00 -1.67 0.56 -5.15 -1.93 0.14 116.94 119.28 2e5h h PHE 19 Ca 0.17 0.00 0.49 0.00 -0.20 0.00 0.00 57.97 58.42 2e5h h PHE 19 Cb 0.97 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 37.07 2e5h h PHE 19 CO 1.21 0.00 1.20 1.03 -2.00 0.00 0.00 178.31 179.75 2e5h h SER 20 N 0.00 0.01 -3.62 -0.68 0.87 -2.04 -3.39 113.55 104.70 2e5h h SER 20 Ca 0.62 0.01 -0.36 0.00 -1.23 0.00 0.00 61.79 60.82 2e5h h SER 20 Cb 2.87 0.01 0.14 0.00 -0.44 0.00 0.00 62.40 64.98 2e5h h SER 20 CO -0.01 -0.01 0.34 0.18 -0.53 0.00 0.00 176.83 176.80 2e5h n LEU 21 N -4.06 0.00 -4.35 2.23 4.77 0.49 -5.11 117.00 110.97 2e5h n LEU 21 Ca 0.38 -1.25 -0.19 0.00 -0.03 0.00 0.00 56.01 54.92 2e5h n LEU 21 Cb 1.72 -0.83 -0.10 0.00 -2.33 0.00 0.00 43.42 41.88 2e5h n LEU 21 CO 0.42 -1.27 -0.41 0.28 -1.33 0.00 0.00 177.39 175.08 2e5h s THR 22 N -3.38 1.60 0.26 -5.08 -1.32 -1.26 -5.00 115.64 101.45 2e5h s THR 22 Ca 0.63 -2.16 -0.04 0.00 -1.21 0.00 0.00 61.69 58.91 2e5h s THR 22 Cb -0.02 -2.14 0.39 0.00 -1.51 0.00 0.00 72.50 69.22 2e5h s THR 22 CO 0.44 -0.52 1.37 0.59 -2.21 0.00 0.00 174.62 174.29 2e5h n ASN 23 N -0.41 -0.23 0.02 8.08 4.13 -1.26 0.53 115.26 126.11 2e5h n ASN 23 Ca -0.07 1.51 -0.10 0.00 1.68 0.00 0.00 54.58 57.59 2e5h n ASN 23 Cb 0.61 -0.49 -0.03 0.00 -1.54 0.00 0.00 39.78 38.33 2e5h n ASN 23 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 2e5h h ASN 24 N 0.00 -0.71 0.00 6.41 -1.24 -1.99 -0.56 115.58 117.48 2e5h h ASN 24 Ca 0.47 0.11 0.02 0.00 0.71 0.00 0.00 56.30 57.61 2e5h h ASN 24 Cb 0.82 0.31 -0.05 0.00 0.73 0.00 0.00 38.32 40.13 2e5h h ASN 24 CO -0.88 -0.29 -0.52 0.44 -1.29 0.00 0.00 177.43 174.90 2e5h h ASP 25 N -0.31 -1.60 -0.50 1.15 3.32 -0.31 -2.12 116.42 116.05 2e5h h ASP 25 Ca 0.09 0.18 0.10 0.00 0.02 0.00 0.00 57.03 57.42 2e5h h ASP 25 Cb 0.45 0.61 -0.10 0.00 0.22 0.00 0.00 39.33 40.51 2e5h h ASP 25 CO -0.28 -0.50 -0.14 -0.07 -1.72 0.00 0.00 179.24 176.53 2e5h h LEU 26 N -0.65 -0.51 -0.80 1.55 3.38 -1.19 0.15 115.31 117.25 2e5h h LEU 26 Ca 0.01 0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.23 2e5h h LEU 26 Cb 0.70 0.33 -0.12 0.00 0.09 0.00 0.00 40.66 41.65 2e5h h LEU 26 CO -0.34 -0.18 -0.50 0.22 0.09 0.00 0.00 178.44 177.73 2e5h h TYR 27 N -0.02 -1.53 -0.05 1.13 5.03 -0.44 0.26 116.97 121.34 2e5h h TYR 27 Ca 0.24 0.11 -0.01 0.00 2.58 0.00 0.00 58.73 61.65 2e5h h TYR 27 Cb 0.38 0.78 -0.00 0.00 1.55 0.00 0.00 36.73 39.44 2e5h h TYR 27 CO -0.44 -0.41 -0.01 0.00 -1.32 0.00 0.00 178.16 175.99 2e5h h ARG 28 N -0.12 0.09 -1.16 1.82 3.08 -0.99 0.11 114.38 117.22 2e5h h ARG 28 Ca 0.19 -0.03 0.33 0.00 0.07 0.00 0.00 59.98 60.53 2e5h h ARG 28 Cb 0.52 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.49 2e5h h ARG 28 CO -0.83 0.42 0.79 0.82 -1.07 0.00 0.00 179.97 180.10 2e5h h ILE 29 N -0.24 0.42 0.00 2.04 2.04 0.45 0.86 117.51 123.07 2e5h h ILE 29 Ca 0.01 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2e5h h ILE 29 Cb 0.38 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2e5h h ILE 29 CO 0.00 0.03 -1.08 0.49 0.00 0.00 0.00 178.15 177.60 2e5h n PHE 30 N -4.41 0.03 0.23 1.37 3.72 0.79 -4.17 117.46 115.02 2e5h n PHE 30 Ca 0.27 0.01 0.11 0.00 -0.05 0.00 0.00 57.45 57.78 2e5h n PHE 30 Cb 1.13 -0.13 0.51 0.00 -0.94 0.00 0.00 39.48 40.05 2e5h n PHE 30 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2e5h h SER 31 N 0.00 0.00 -0.02 4.37 0.87 0.34 -2.73 113.55 116.38 2e5h h SER 31 Ca 0.00 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2e5h h SER 31 Cb 0.59 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2e5h h SER 31 CO 0.00 0.20 0.04 0.07 -0.53 0.00 0.00 176.83 176.62 2e5h h LYS 32 N 0.00 0.00 0.00 2.24 2.10 -1.64 -3.05 116.57 116.23 2e5h h LYS 32 Ca -0.00 0.00 -0.43 0.00 -2.00 0.00 0.00 60.65 58.22 2e5h h LYS 32 Cb 0.68 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.94 2e5h h LYS 32 CO 0.03 0.00 -2.43 0.66 -2.00 0.00 0.00 179.45 175.70 2e5h n TYR 33 N -3.43 0.00 -3.70 0.07 4.01 -1.05 -5.05 117.16 108.01 2e5h n TYR 33 Ca -0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.57 2e5h n TYR 33 Cb 0.12 -0.96 -0.08 0.00 -0.31 0.00 0.00 39.34 38.11 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 -5.46 -0.27 0.15 2.72 0.00 -1.10 -4.93 107.32 98.42 2e5h s GLY 34 Ca -0.38 0.64 -0.34 0.00 0.00 0.00 0.00 44.72 44.64 2e5h s GLY 34 CO 0.48 0.40 1.58 1.17 0.00 0.00 0.00 173.10 176.74 2e5h n LYS 35 N 1.34 2.09 -3.87 2.90 3.00 -1.26 -4.01 118.16 118.36 2e5h n LYS 35 Ca -0.20 0.76 -0.37 0.00 -0.00 0.00 0.00 58.31 58.50 2e5h n LYS 35 Cb 0.56 -2.52 -0.06 0.00 0.00 0.00 0.00 35.03 33.01 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 1.02 5.45 -0.22 3.15 1.01 -1.26 -2.24 120.40 127.31 2e5h s VAL 36 Ca 0.80 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.96 2e5h s VAL 36 Cb -0.70 -3.40 -0.14 0.00 0.00 0.00 0.00 36.38 32.15 2e5h s VAL 36 CO 0.39 0.59 -0.21 0.52 0.00 0.00 0.00 175.10 176.38 2e5h n VAL 37 N 2.27 1.26 -3.82 2.92 0.31 -1.10 -4.93 118.33 115.24 2e5h n VAL 37 Ca -0.19 -0.45 -0.12 0.00 -0.01 0.00 0.00 64.34 63.56 2e5h n VAL 37 Cb 0.54 -1.36 -0.10 0.00 -0.91 0.00 0.00 33.84 32.01 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 -2.44 0.51 -0.28 5.55 1.02 -1.24 -5.08 119.74 117.77 2e5h s LYS 38 Ca -0.30 -0.20 -0.01 0.00 0.02 0.00 0.00 55.97 55.48 2e5h s LYS 38 Cb 0.08 0.22 0.04 0.00 -0.52 0.00 0.00 37.83 37.66 2e5h s LYS 38 CO 0.49 -0.12 -0.03 0.08 -0.92 0.00 0.00 175.35 174.85 2e5h s VAL 39 N -1.09 2.87 -0.05 3.17 1.01 -1.26 -1.73 120.40 123.31 2e5h s VAL 39 Ca -0.12 -1.30 -0.03 0.00 0.00 0.00 0.00 61.98 60.53 2e5h s VAL 39 Cb -0.06 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2e5h s VAL 39 CO 0.02 -0.00 0.13 -0.89 0.00 0.00 0.00 175.10 174.35 2e5h s THR 40 N 1.26 5.18 -0.00 3.92 2.01 0.15 -5.01 115.64 123.15 2e5h s THR 40 Ca -0.04 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 61.88 2e5h s THR 40 Cb -0.19 -3.33 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 2e5h s THR 40 CO -0.03 0.46 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.65 2e5h s ILE 41 N -1.15 0.61 0.52 1.82 1.01 -1.26 0.89 121.20 123.64 2e5h s ILE 41 Ca 0.21 -0.39 -0.16 0.00 0.00 0.00 0.00 60.65 60.31 2e5h s ILE 41 Cb -0.12 -0.52 -0.07 0.00 0.01 0.00 0.00 42.46 41.75 2e5h s ILE 41 CO 0.11 0.13 0.99 -0.04 0.00 0.00 0.00 174.94 176.13 2e5h s MET 42 N -0.29 3.91 -0.21 2.79 -1.94 -0.61 -4.88 119.30 118.07 2e5h s MET 42 Ca 0.02 0.92 -0.06 0.00 -1.71 0.00 0.00 55.69 54.87 2e5h s MET 42 Cb -0.03 -2.13 0.10 0.00 2.01 0.00 0.00 34.83 34.77 2e5h s MET 42 CO -0.00 -0.30 0.41 0.15 -0.01 0.00 0.00 175.02 175.27 2e5h s LYS 43 N -4.19 0.33 1.04 2.03 1.02 -1.26 -4.08 119.74 114.62 2e5h s LYS 43 Ca 0.58 0.92 -0.17 0.00 0.02 0.00 0.00 55.97 57.33 2e5h s LYS 43 Cb -0.10 0.16 0.26 0.00 -0.52 0.00 0.00 37.83 37.63 2e5h s LYS 43 CO 0.34 -0.34 0.59 -3.47 -0.92 0.00 0.00 175.35 171.54 2e5h n ASP 44 N 5.39 -3.45 -0.00 2.83 2.03 -1.13 -4.92 116.55 117.29 2e5h n ASP 44 Ca -0.07 -0.60 0.05 0.00 0.52 0.00 0.00 54.79 54.70 2e5h n ASP 44 Cb 0.50 -0.71 -0.07 0.00 -0.72 0.00 0.00 41.12 40.11 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 -4.20 2.42 0.00 -0.67 4.81 -1.26 -4.20 118.16 115.06 2e5h n LYS 45 Ca 0.09 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 2e5h n LYS 45 Cb 0.41 -1.10 0.00 0.00 0.02 0.00 0.00 35.03 34.36 2e5h n LYS 45 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2e5h n ASP 46 N -1.46 0.00 0.27 3.14 9.92 -1.26 -4.68 116.55 122.49 2e5h n ASP 46 Ca 0.01 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.40 2e5h n ASP 46 Cb 0.21 -0.21 0.77 0.00 -0.64 0.00 0.00 41.12 41.25 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 0.53 -4.59 -3.53 1.35 -2.00 -3.46 112.91 101.21 2e5h h THR 47 Ca 0.00 -0.43 -0.41 0.00 -0.55 0.00 0.00 66.41 65.03 2e5h h THR 47 Cb 0.00 1.28 0.05 0.00 -1.73 0.00 0.00 68.15 67.75 2e5h h THR 47 CO 0.00 0.09 -0.61 0.54 -0.25 0.00 0.00 175.52 175.29 2e5h n ARG 48 N -3.65 -4.88 -4.24 4.72 1.74 -1.26 -4.99 116.66 104.10 2e5h n ARG 48 Ca -0.02 0.88 -0.23 0.00 -0.77 0.00 0.00 57.85 57.71 2e5h n ARG 48 Cb 0.21 -5.74 -0.06 0.00 -1.02 0.00 0.00 32.46 25.85 2e5h n ARG 48 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2e5h s LYS 49 N -5.75 2.48 0.24 5.56 -0.14 -1.26 -4.80 119.74 116.08 2e5h s LYS 49 Ca 0.32 -1.31 0.00 0.00 -1.36 0.00 0.00 55.97 53.62 2e5h s LYS 49 Cb -0.14 -2.28 0.29 0.00 -1.68 0.00 0.00 37.83 34.01 2e5h s LYS 49 CO 0.40 0.37 1.64 1.03 -0.76 0.00 0.00 175.35 178.03 2e5h h SER 50 N 1.77 0.53 -1.97 2.83 0.87 -1.92 -3.00 113.55 112.66 2e5h h SER 50 Ca -0.45 -0.22 -0.42 0.00 -1.23 0.00 0.00 61.79 59.47 2e5h h SER 50 Cb 1.25 -0.15 -0.09 0.00 -0.44 0.00 0.00 62.40 62.96 2e5h h SER 50 CO 0.60 0.85 -0.46 0.29 -0.53 0.00 0.00 176.83 177.59 2e5h n LYS 51 N -4.05 -1.55 0.00 2.24 5.02 -1.26 -2.47 118.16 116.08 2e5h n LYS 51 Ca -0.01 1.12 0.00 0.00 -2.02 0.00 0.00 58.31 57.40 2e5h n LYS 51 Cb 0.48 -5.64 0.00 0.00 -0.02 0.00 0.00 35.03 29.85 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 -0.72 1.21 3.58 0.72 0.00 -1.25 -4.40 105.19 104.34 2e5h n GLY 52 Ca -0.23 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.32 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 0.40 -3.83 1.61 0.31 -1.03 -2.76 118.33 113.02 2e5h n VAL 53 Ca 0.00 -0.26 -0.12 0.00 -0.01 0.00 0.00 64.34 63.95 2e5h n VAL 53 Cb 0.00 -2.01 -0.11 0.00 -0.91 0.00 0.00 33.84 30.81 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 6.31 -0.41 -0.18 3.52 0.00 0.94 -1.58 121.76 130.37 2e5h s ALA 54 Ca 1.00 0.25 -0.05 0.00 0.00 0.00 0.00 51.96 53.17 2e5h s ALA 54 Cb -0.64 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 2e5h s ALA 54 CO 0.46 -0.14 -0.01 -0.06 0.00 0.00 0.00 175.76 176.01 2e5h s PHE 55 N -0.53 3.04 -0.24 0.00 0.40 0.26 -1.76 117.98 119.15 2e5h s PHE 55 Ca -0.06 -0.38 -0.07 0.00 -0.60 0.00 0.00 56.93 55.83 2e5h s PHE 55 Cb -0.04 -2.03 -0.03 0.00 0.51 0.00 0.00 43.02 41.44 2e5h s PHE 55 CO 0.01 -0.14 0.05 0.42 0.70 0.00 0.00 175.22 176.26 2e5h s ILE 56 N 0.71 4.16 -0.20 0.64 -1.09 -0.64 0.33 121.20 125.11 2e5h s ILE 56 Ca -0.01 -0.22 -0.21 0.00 -2.23 0.00 0.00 60.65 57.98 2e5h s ILE 56 Cb -0.14 -2.94 -0.03 0.00 -1.58 0.00 0.00 42.46 37.78 2e5h s ILE 56 CO 0.02 0.36 0.62 -0.22 -1.23 0.00 0.00 174.94 174.49 2e5h s LEU 57 N 1.55 4.14 0.21 2.97 0.20 -0.70 -0.07 118.68 126.98 2e5h s LEU 57 Ca 0.06 0.82 0.06 0.00 0.69 0.00 0.00 54.13 55.75 2e5h s LEU 57 Cb -0.15 -2.87 -0.04 0.00 -0.43 0.00 0.00 46.19 42.70 2e5h s LEU 57 CO 0.02 -0.27 0.19 -0.36 -0.29 0.00 0.00 176.35 175.65 2e5h s PHE 58 N 1.92 3.18 -0.03 5.38 0.40 -1.22 -2.69 117.98 124.91 2e5h s PHE 58 Ca 0.28 -0.05 -0.24 0.00 -0.60 0.00 0.00 56.93 56.32 2e5h s PHE 58 Cb -0.16 -1.48 -0.18 0.00 0.51 0.00 0.00 43.02 41.72 2e5h s PHE 58 CO 0.10 0.51 1.06 1.25 0.70 0.00 0.00 175.22 178.85 2e5h h LEU 59 N 1.86 -0.16 -8.66 -0.37 5.85 -1.79 -3.44 115.31 108.60 2e5h h LEU 59 Ca -0.48 -0.38 -0.67 0.00 0.84 0.00 0.00 57.88 57.18 2e5h h LEU 59 Cb 1.22 0.04 -0.27 0.00 0.37 0.00 0.00 40.66 42.02 2e5h h LEU 59 CO 0.62 0.36 -0.79 -0.62 -0.34 0.00 0.00 178.44 177.66 2e5h s ASP 60 N -5.48 3.80 0.23 1.25 -1.08 -1.26 -5.02 116.67 109.11 2e5h s ASP 60 Ca -0.14 -0.34 -0.06 0.00 -0.52 0.00 0.00 52.55 51.49 2e5h s ASP 60 Cb 0.01 -1.26 0.36 0.00 -1.46 0.00 0.00 42.92 40.57 2e5h s ASP 60 CO 0.56 0.23 1.78 0.07 0.52 0.00 0.00 175.17 178.32 2e5h h LYS 61 N 6.22 0.59 -1.00 4.34 2.10 -1.90 -0.97 116.57 125.96 2e5h h LYS 61 Ca -0.32 -0.04 0.26 0.00 -2.00 0.00 0.00 60.65 58.56 2e5h h LYS 61 Cb 1.19 -0.13 -0.13 0.00 -0.90 0.00 0.00 32.23 32.26 2e5h h LYS 61 CO 0.52 0.39 0.58 0.22 -2.00 0.00 0.00 179.45 179.16 2e5h h ASP 62 N 0.61 0.63 -0.10 7.07 3.58 -1.96 0.17 116.42 126.42 2e5h h ASP 62 Ca 0.37 0.15 -0.03 0.00 0.42 0.00 0.00 57.03 57.93 2e5h h ASP 62 Cb 0.40 0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.51 2e5h h ASP 62 CO -0.28 0.05 -0.07 0.28 -2.88 0.00 0.00 179.24 176.34 2e5h h SER 63 N 0.52 0.24 -0.42 2.28 0.02 -1.55 -3.25 113.55 111.40 2e5h h SER 63 Ca 0.66 -0.45 0.09 0.00 -0.84 0.00 0.00 61.79 61.25 2e5h h SER 63 Cb 1.31 -0.07 -0.09 0.00 0.14 0.00 0.00 62.40 63.69 2e5h h SER 63 CO -0.50 0.64 -0.21 0.00 -1.14 0.00 0.00 176.83 175.61 2e5h h ALA 64 N 0.61 0.08 -0.17 3.77 0.00 -0.73 -2.65 119.26 120.16 2e5h h ALA 64 Ca 0.02 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2e5h h ALA 64 Cb 0.56 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2e5h h ALA 64 CO 0.02 -0.58 -0.19 1.96 0.00 0.00 0.00 179.25 180.46 2e5h h GLN 65 N -0.14 -0.11 -0.99 0.00 1.08 -1.38 0.32 115.11 113.89 2e5h h GLN 65 Ca 0.20 0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.54 2e5h h GLN 65 Cb 0.45 0.02 -0.14 0.00 -0.05 0.00 0.00 27.48 27.76 2e5h h GLN 65 CO -0.50 -0.07 -0.47 -0.97 -0.95 0.00 0.00 178.83 175.86 2e5h h ASN 66 N -0.11 -1.73 -0.92 1.46 -1.24 -1.52 0.81 115.58 112.32 2e5h h ASN 66 Ca 0.03 0.32 0.07 0.00 0.71 0.00 0.00 56.30 57.43 2e5h h ASN 66 Cb 0.19 0.84 -0.06 0.00 0.73 0.00 0.00 38.32 40.02 2e5h h ASN 66 CO -0.22 -0.27 0.59 0.00 -1.29 0.00 0.00 177.43 176.25 2e5h n THR 68 N -4.50 0.39 -0.00 0.00 -1.04 0.27 -2.03 114.28 107.38 2e5h n THR 68 Ca 0.14 0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 2e5h n THR 68 Cb 0.22 -0.90 -0.01 0.00 -1.82 0.00 0.00 70.33 67.83 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 -1.16 1.51 0.05 -2.82 0.00 0.60 -3.96 116.66 110.88 2e5h n ARG 69 Ca 0.07 -0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.72 2e5h n ARG 69 Cb 0.07 -1.02 -0.13 0.00 0.00 0.00 0.00 32.46 31.39 2e5h n ARG 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2e5h h ALA 70 N 0.06 0.00 0.00 5.13 0.00 -0.27 -3.35 119.26 120.83 2e5h h ALA 70 Ca -0.01 -0.68 -0.21 0.00 0.00 0.00 0.00 54.91 54.01 2e5h h ALA 70 Cb 0.43 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2e5h h ALA 70 CO 0.00 0.49 -1.79 0.44 0.00 0.00 0.00 179.25 178.40 2e5h n ILE 71 N -4.02 1.09 -1.68 0.00 -5.35 -0.86 -4.88 119.36 103.66 2e5h n ILE 71 Ca -0.13 -0.71 -0.50 0.00 -0.27 0.00 0.00 62.75 61.14 2e5h n ILE 71 Cb 0.84 -0.57 -0.05 0.00 -1.74 0.00 0.00 39.64 38.11 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 -2.76 2.97 -2.63 7.28 5.15 -1.25 -2.06 115.26 121.95 2e5h n ASN 72 Ca -0.16 1.03 -0.11 0.00 -0.60 0.00 0.00 54.58 54.75 2e5h n ASN 72 Cb 0.90 -1.31 0.05 0.00 -0.53 0.00 0.00 39.78 38.89 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 5.35 -3.45 -3.73 1.20 2.85 -1.21 -4.89 115.26 111.38 2e5h n ASN 73 Ca 0.22 -0.44 -0.12 0.00 -0.11 0.00 0.00 54.58 54.13 2e5h n ASN 73 Cb 0.25 -3.59 -0.12 0.00 1.24 0.00 0.00 39.78 37.56 2e5h n ASN 73 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2e5h s LYS 74 N -4.44 0.25 -0.36 1.20 -0.14 -0.88 -5.05 119.74 110.33 2e5h s LYS 74 Ca 0.14 0.53 -0.29 0.00 -1.36 0.00 0.00 55.97 54.99 2e5h s LYS 74 Cb -0.02 -0.05 0.01 0.00 -1.68 0.00 0.00 37.83 36.09 2e5h s LYS 74 CO 0.49 -0.13 1.26 -0.65 -0.76 0.00 0.00 175.35 175.55 2e5h s GLN 75 N 1.04 3.82 0.02 1.68 -0.21 -1.26 -2.37 119.66 122.37 2e5h s GLN 75 Ca -0.07 1.02 0.08 0.00 0.02 0.00 0.00 55.36 56.41 2e5h s GLN 75 Cb -0.08 -3.90 -0.02 0.00 1.00 0.00 0.00 33.01 30.01 2e5h s GLN 75 CO -0.07 -1.24 -0.23 -0.51 -2.12 0.00 0.00 175.29 171.12 2e5h s LEU 76 N 4.53 2.12 -0.96 2.90 1.02 -1.19 -4.68 118.68 122.42 2e5h s LEU 76 Ca 0.54 -0.49 0.00 0.00 0.02 0.00 0.00 54.13 54.20 2e5h s LEU 76 Cb -0.14 -1.12 0.00 0.00 0.02 0.00 0.00 46.19 44.95 2e5h s LEU 76 CO 0.26 0.23 0.00 0.49 0.02 0.00 0.00 176.35 177.35 2e5h n PHE 77 N 2.12 -1.10 -2.80 0.29 3.01 -1.26 -0.50 117.46 117.22 2e5h n PHE 77 Ca -0.16 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.21 2e5h n PHE 77 Cb 0.53 -2.36 0.04 0.00 -0.01 0.00 0.00 39.48 37.67 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 -0.52 0.23 3.15 1.37 0.00 -1.26 -4.99 105.19 103.18 2e5h n GLY 78 Ca -0.11 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.12 0.37 -0.48 1.61 1.70 0.35 -5.11 118.95 112.27 2e5h s ARG 79 Ca 0.14 0.59 -0.37 0.00 -0.47 0.00 0.00 55.73 55.62 2e5h s ARG 79 Cb -0.06 0.32 -0.15 0.00 -0.57 0.00 0.00 34.95 34.49 2e5h s ARG 79 CO 0.30 -0.48 2.25 0.28 -1.08 0.00 0.00 175.30 176.57 2e5h n VAL 80 N 5.41 0.09 -3.23 4.99 0.31 -1.26 -3.14 118.33 121.50 2e5h n VAL 80 Ca -0.01 -0.18 -0.39 0.00 -0.01 0.00 0.00 64.34 63.75 2e5h n VAL 80 Cb 0.53 -1.23 -0.06 0.00 -0.91 0.00 0.00 33.84 32.17 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 7.42 5.13 -0.27 2.52 1.01 -1.00 -4.63 121.20 131.39 2e5h s ILE 81 Ca 1.15 1.09 -0.12 0.00 0.00 0.00 0.00 60.65 62.77 2e5h s ILE 81 Cb -1.06 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 37.48 2e5h s ILE 81 CO 0.53 0.27 0.23 -0.54 0.00 0.00 0.00 174.94 175.43 2e5h s LYS 82 N 0.88 4.00 -0.08 2.79 -0.14 -1.15 -3.34 119.74 122.70 2e5h s LYS 82 Ca 0.29 -0.21 0.03 0.00 -1.36 0.00 0.00 55.97 54.72 2e5h s LYS 82 Cb -0.16 -3.63 -0.01 0.00 -1.68 0.00 0.00 37.83 32.35 2e5h s LYS 82 CO 0.12 -0.14 -0.19 0.00 -0.76 0.00 0.00 175.35 174.38 2e5h s ALA 83 N 1.64 2.43 -0.28 5.17 0.00 -1.25 -1.22 121.76 128.25 2e5h s ALA 83 Ca 0.09 -0.98 -0.23 0.00 0.00 0.00 0.00 51.96 50.85 2e5h s ALA 83 Cb -0.15 -0.92 0.11 0.00 0.00 0.00 0.00 23.12 22.15 2e5h s ALA 83 CO 0.09 0.39 0.90 -1.12 0.00 0.00 0.00 175.76 176.02 2e5h s SER 84 N -0.11 -0.60 0.26 0.00 0.01 -0.32 -4.72 113.70 108.21 2e5h s SER 84 Ca -0.03 1.10 -0.29 0.00 1.31 0.00 0.00 55.95 58.04 2e5h s SER 84 Cb -0.14 1.15 -0.15 0.00 0.21 0.00 0.00 66.02 67.09 2e5h s SER 84 CO 0.04 -0.19 0.94 -0.38 0.41 0.00 0.00 173.24 174.06 2e5h n ILE 85 N 2.79 1.85 -3.10 1.44 2.08 -1.26 -0.34 119.36 122.82 2e5h n ILE 85 Ca -0.15 -0.46 -0.27 0.00 0.56 0.00 0.00 62.75 62.44 2e5h n ILE 85 Cb 0.56 -0.80 -0.05 0.00 -0.75 0.00 0.00 39.64 38.60 2e5h n ILE 85 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2e5h n ALA 86 N 0.35 4.40 0.00 -1.39 0.00 -0.84 -4.66 120.51 118.37 2e5h n ALA 86 Ca 0.12 -4.68 0.00 0.00 0.00 0.00 0.00 53.44 48.88 2e5h n ALA 86 Cb 0.30 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2e5h n ALA 86 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94