#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 2.87 -0.29 1.61 0.15 -1.26 -5.16 113.70 111.62 2e5h s SER -5 Ca 0.00 -1.55 -0.21 0.00 0.70 0.00 0.00 55.95 54.90 2e5h s SER -5 Cb 0.00 0.24 0.14 0.00 -1.71 0.00 0.00 66.02 64.70 2e5h s SER -5 CO 0.00 -0.78 1.06 -0.94 1.20 0.00 0.00 173.24 173.79 2e5h s SER -4 N -3.60 -0.41 -0.03 5.45 1.04 -1.26 -5.17 113.70 109.72 2e5h s SER -4 Ca 0.27 0.73 0.01 0.00 0.48 0.00 0.00 55.95 57.44 2e5h s SER -4 Cb 0.05 0.94 0.01 0.00 0.10 0.00 0.00 66.02 67.13 2e5h s SER -4 CO 0.13 -0.12 -0.05 -0.83 0.98 0.00 0.00 173.24 173.36 2e5h s GLY -3 N 0.72 0.36 -0.21 7.32 0.00 -1.26 -5.12 107.32 109.13 2e5h s GLY -3 Ca -0.02 -0.11 -0.25 0.00 0.00 0.00 0.00 44.72 44.34 2e5h s GLY -3 CO -0.11 0.19 0.84 -0.45 0.00 0.00 0.00 173.10 173.57 2e5h s SER -2 N 0.50 6.91 -0.26 1.64 0.15 -1.26 -5.02 113.70 116.35 2e5h s SER -2 Ca -0.06 1.12 -0.01 0.00 0.70 0.00 0.00 55.95 57.70 2e5h s SER -2 Cb -0.10 -2.45 0.08 0.00 -1.71 0.00 0.00 66.02 61.84 2e5h s SER -2 CO -0.00 -0.47 0.04 -0.55 1.20 0.00 0.00 173.24 173.45 2e5h s SER -1 N 1.25 3.73 0.00 5.45 0.15 -1.26 -4.96 113.70 118.05 2e5h s SER -1 Ca 0.37 -1.32 0.00 0.00 0.70 0.00 0.00 55.95 55.70 2e5h s SER -1 Cb -0.16 -0.93 0.00 0.00 -1.71 0.00 0.00 66.02 63.22 2e5h s SER -1 CO 0.09 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2e5h n GLY 0 N 4.81 -1.49 3.16 9.45 0.00 -1.26 -5.18 105.19 114.68 2e5h n GLY 0 Ca -0.06 0.58 -0.12 0.00 0.00 0.00 0.00 46.02 46.41 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 0.45 -0.25 1.61 1.00 -1.26 -5.13 119.30 115.72 2e5h s MET 1 Ca 0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 55.69 55.42 2e5h s MET 1 Cb 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 34.83 35.03 2e5h s MET 1 CO 0.00 -0.10 0.88 -1.54 0.00 0.00 0.00 175.02 174.26 2e5h s SER 2 N -0.71 6.88 0.17 3.03 1.04 -1.26 -4.95 113.70 117.90 2e5h s SER 2 Ca -0.08 1.07 -0.20 0.00 0.48 0.00 0.00 55.95 57.22 2e5h s SER 2 Cb -0.04 -2.46 0.10 0.00 0.10 0.00 0.00 66.02 63.72 2e5h s SER 2 CO 0.02 -0.58 1.62 1.23 0.98 0.00 0.00 173.24 176.51 2e5h h GLY 3 N 9.31 -0.02 -0.64 7.32 0.00 -1.96 -3.48 103.07 113.61 2e5h h GLY 3 Ca -0.22 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2e5h h GLY 3 CO 0.91 -0.21 0.00 0.61 0.00 0.00 0.00 176.54 177.85 2e5h n GLY 4 N -1.41 -0.85 1.13 4.60 0.00 -1.26 -4.76 105.19 102.65 2e5h n GLY 4 Ca 0.02 -0.93 0.12 0.00 0.00 0.00 0.00 46.02 45.23 2e5h n GLY 4 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2e5h n LEU 5 N 0.00 3.39 -4.21 0.99 -0.00 -1.26 -4.76 117.00 111.14 2e5h n LEU 5 Ca 0.00 -1.45 -0.42 0.00 -0.00 0.00 0.00 56.01 54.15 2e5h n LEU 5 Cb 0.00 -0.24 -0.06 0.00 -0.00 0.00 0.00 43.42 43.12 2e5h n LEU 5 CO 0.00 0.72 0.18 0.00 -0.00 0.00 0.00 177.39 178.30 2e5h s ALA 6 N -1.52 3.75 0.69 1.47 0.00 -1.26 -5.07 121.76 119.81 2e5h s ALA 6 Ca 0.38 -3.13 -0.14 0.00 0.00 0.00 0.00 51.96 49.07 2e5h s ALA 6 Cb 0.23 -3.05 0.01 0.00 0.00 0.00 0.00 23.12 20.32 2e5h s ALA 6 CO 0.32 -2.13 1.11 -1.25 0.00 0.00 0.00 175.76 173.80 2e5h s PRO 7 N 0.33 2.66 0.11 0.00 0.04 -1.26 -5.07 135.00 131.81 2e5h s PRO 7 Ca 0.15 1.33 -0.05 0.00 0.04 0.00 0.00 61.00 62.47 2e5h s PRO 7 Cb -0.18 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 2e5h s PRO 7 CO -0.05 -1.35 0.12 -1.54 0.04 0.00 0.00 177.00 174.22 2e5h s SER 8 N -2.79 0.24 0.08 6.66 1.04 -0.90 -4.76 113.70 113.27 2e5h s SER 8 Ca 0.65 -0.92 -0.15 0.00 0.48 0.00 0.00 55.95 56.02 2e5h s SER 8 Cb -0.20 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 2e5h s SER 8 CO 0.45 -0.73 1.05 1.17 0.98 0.00 0.00 173.24 176.16 2e5h n LYS 9 N -0.06 -0.21 -0.21 4.02 3.00 -1.24 -0.26 118.16 123.19 2e5h n LYS 9 Ca -0.11 1.04 -0.08 0.00 -0.00 0.00 0.00 58.31 59.17 2e5h n LYS 9 Cb 0.62 -1.54 -0.03 0.00 0.00 0.00 0.00 35.03 34.09 2e5h n LYS 9 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2e5h h SER 10 N 0.00 -1.45 -1.02 3.14 4.64 -1.88 -3.40 113.55 113.58 2e5h h SER 10 Ca 0.08 0.25 -0.73 0.00 -0.47 0.00 0.00 61.79 60.91 2e5h h SER 10 Cb 0.19 0.67 0.08 0.00 -0.31 0.00 0.00 62.40 63.03 2e5h h SER 10 CO -0.44 -0.33 -0.21 0.41 -0.87 0.00 0.00 176.83 175.39 2e5h n THR 11 N -5.41 0.95 -4.15 2.95 -1.04 0.64 -4.28 114.28 103.93 2e5h n THR 11 Ca 0.02 -0.24 -0.34 0.00 -2.04 0.00 0.00 64.05 61.46 2e5h n THR 11 Cb 0.35 -0.02 -0.15 0.00 -1.82 0.00 0.00 70.33 68.70 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 -0.47 2.72 -0.70 12.58 1.01 0.95 -2.74 120.40 133.75 2e5h s VAL 12 Ca 0.78 -0.72 -0.27 0.00 0.00 0.00 0.00 61.98 61.76 2e5h s VAL 12 Cb -1.10 -2.19 0.03 0.00 0.00 0.00 0.00 36.38 33.12 2e5h s VAL 12 CO 0.56 0.49 1.30 -0.47 0.00 0.00 0.00 175.10 176.98 2e5h s TYR 13 N 1.22 2.30 0.03 5.22 6.14 0.51 -2.03 117.35 130.73 2e5h s TYR 13 Ca 0.02 0.08 0.04 0.00 0.64 0.00 0.00 57.07 57.85 2e5h s TYR 13 Cb -0.14 -4.58 -0.04 0.00 0.42 0.00 0.00 41.96 37.62 2e5h s TYR 13 CO -0.06 -2.01 -0.06 0.08 0.64 0.00 0.00 175.55 174.13 2e5h s VAL 14 N 5.79 3.65 0.24 3.14 1.01 -0.60 -1.06 120.40 132.56 2e5h s VAL 14 Ca 0.38 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.51 2e5h s VAL 14 Cb -0.08 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2e5h s VAL 14 CO 0.17 0.32 0.19 -0.44 0.00 0.00 0.00 175.10 175.34 2e5h s SER 15 N -1.62 0.60 -1.77 3.32 0.01 -0.55 -0.15 113.70 113.52 2e5h s SER 15 Ca 0.19 -1.49 0.00 0.00 1.31 0.00 0.00 55.95 55.96 2e5h s SER 15 Cb -0.11 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.56 2e5h s SER 15 CO 0.10 -0.92 0.00 0.59 0.41 0.00 0.00 173.24 173.42 2e5h n ASN 16 N -0.66 -5.30 -4.80 2.44 4.13 -1.25 -3.05 115.26 106.76 2e5h n ASN 16 Ca 0.04 0.22 -0.36 0.00 1.68 0.00 0.00 54.58 56.15 2e5h n ASN 16 Cb 0.65 -4.40 -0.06 0.00 -1.54 0.00 0.00 39.78 34.43 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 -4.78 4.29 -1.03 3.41 1.43 -1.17 -4.64 118.68 116.19 2e5h s LEU 17 Ca 0.00 1.64 -0.24 0.00 -1.03 0.00 0.00 54.13 54.51 2e5h s LEU 17 Cb 0.00 -3.92 -0.07 0.00 0.03 0.00 0.00 46.19 42.24 2e5h s LEU 17 CO 0.00 -0.07 1.94 -2.16 0.23 0.00 0.00 176.35 176.30 2e5h s PRO 18 N -2.18 2.52 0.53 1.29 0.04 -1.26 -3.86 135.00 132.08 2e5h s PRO 18 Ca 0.49 -0.67 0.40 0.00 0.04 0.00 0.00 61.00 61.26 2e5h s PRO 18 Cb -0.17 -5.14 1.59 0.00 0.04 0.00 0.00 34.50 30.83 2e5h s PRO 18 CO 0.21 -3.65 1.69 0.27 0.04 0.00 0.00 177.00 175.56 2e5h h PHE 19 N 10.61 0.09 -1.30 0.56 -5.15 -1.93 0.89 116.94 120.71 2e5h h PHE 19 Ca 0.15 0.00 0.45 0.00 -0.20 0.00 0.00 57.97 58.37 2e5h h PHE 19 Cb 0.98 -0.02 -0.14 0.00 0.22 0.00 0.00 35.95 36.98 2e5h h PHE 19 CO 1.21 -0.02 0.82 1.03 -2.00 0.00 0.00 178.31 179.35 2e5h h SER 20 N 0.03 0.24 -3.57 -0.68 0.87 -2.03 -3.39 113.55 105.01 2e5h h SER 20 Ca 0.74 0.16 -0.42 0.00 -1.23 0.00 0.00 61.79 61.05 2e5h h SER 20 Cb 2.85 0.16 0.19 0.00 -0.44 0.00 0.00 62.40 65.16 2e5h h SER 20 CO -0.07 -0.25 0.22 -0.76 -0.53 0.00 0.00 176.83 175.45 2e5h s LEU 21 N -9.64 1.24 0.23 2.23 1.43 0.30 -5.09 118.68 109.39 2e5h s LEU 21 Ca -0.08 0.39 0.08 0.00 -1.03 0.00 0.00 54.13 53.49 2e5h s LEU 21 Cb 0.31 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 2e5h s LEU 21 CO 0.82 -3.88 -0.14 0.28 0.23 0.00 0.00 176.35 173.66 2e5h s THR 22 N -3.33 1.82 0.22 5.49 -1.32 -1.26 -5.00 115.64 112.25 2e5h s THR 22 Ca 0.74 -2.22 -0.09 0.00 -1.21 0.00 0.00 61.69 58.91 2e5h s THR 22 Cb -0.06 -2.14 0.33 0.00 -1.51 0.00 0.00 72.50 69.12 2e5h s THR 22 CO 0.55 -0.52 1.27 -0.46 -2.21 0.00 0.00 174.62 173.24 2e5h n ASN 23 N -0.44 -0.36 -0.04 8.08 0.23 -1.26 0.60 115.26 122.07 2e5h n ASN 23 Ca -0.07 1.40 -0.09 0.00 -0.53 0.00 0.00 54.58 55.29 2e5h n ASN 23 Cb 0.61 -0.40 -0.03 0.00 -2.08 0.00 0.00 39.78 37.88 2e5h n ASN 23 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 2e5h h ASN 24 N 0.00 -0.94 -0.08 0.53 4.21 -1.99 -0.11 115.58 117.20 2e5h h ASN 24 Ca 0.36 0.15 0.04 0.00 1.21 0.00 0.00 56.30 58.06 2e5h h ASN 24 Cb 0.56 0.42 -0.06 0.00 -1.12 0.00 0.00 38.32 38.13 2e5h h ASN 24 CO -0.83 -0.33 -0.42 0.44 -1.29 0.00 0.00 177.43 175.00 2e5h h ASP 25 N -0.32 -1.31 -0.29 5.81 5.19 -0.24 -2.28 116.42 122.98 2e5h h ASP 25 Ca 0.12 0.17 0.07 0.00 -0.62 0.00 0.00 57.03 56.77 2e5h h ASP 25 Cb 0.52 0.52 -0.07 0.00 0.18 0.00 0.00 39.33 40.48 2e5h h ASP 25 CO -0.40 -0.44 -0.22 -0.07 -3.12 0.00 0.00 179.24 174.99 2e5h h LEU 26 N -0.53 -0.73 -0.94 1.55 3.38 -0.93 0.17 115.31 117.29 2e5h h LEU 26 Ca 0.06 0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.30 2e5h h LEU 26 Cb 0.64 0.36 -0.14 0.00 0.09 0.00 0.00 40.66 41.61 2e5h h LEU 26 CO -0.36 -0.26 -0.46 0.22 0.09 0.00 0.00 178.44 177.67 2e5h h TYR 27 N -0.20 -1.37 0.05 1.13 5.03 -0.46 0.22 116.97 121.36 2e5h h TYR 27 Ca 0.16 0.11 -0.00 0.00 2.58 0.00 0.00 58.73 61.57 2e5h h TYR 27 Cb 0.44 0.73 0.00 0.00 1.55 0.00 0.00 36.73 39.45 2e5h h TYR 27 CO -0.41 -0.40 -0.02 0.00 -1.32 0.00 0.00 178.16 176.02 2e5h h ARG 28 N -0.03 -0.06 -0.92 1.82 3.08 -1.08 0.22 114.38 117.41 2e5h h ARG 28 Ca 0.27 0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.59 2e5h h ARG 28 Cb 0.53 0.01 -0.15 0.00 0.08 0.00 0.00 29.97 30.45 2e5h h ARG 28 CO -0.93 0.32 0.27 0.82 -1.07 0.00 0.00 179.97 179.38 2e5h h ILE 29 N -0.46 0.24 0.00 2.04 2.04 0.73 1.04 117.51 123.14 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 0.42 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2e5h h ILE 29 CO 0.01 0.03 -0.56 -0.26 0.00 0.00 0.00 178.15 177.38 2e5h h PHE 30 N 0.18 0.00 0.00 1.37 0.04 -0.59 -3.31 116.94 114.63 2e5h h PHE 30 Ca 0.61 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.33 2e5h h PHE 30 Cb 1.29 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.43 2e5h h PHE 30 CO -0.25 0.00 -0.21 1.03 -0.60 0.00 0.00 178.31 178.28 2e5h h SER 31 N 0.00 0.00 -0.28 2.17 0.87 0.33 -2.33 113.55 114.31 2e5h h SER 31 Ca 0.00 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.64 2e5h h SER 31 Cb 0.82 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 2e5h h SER 31 CO 0.00 0.21 0.50 0.07 -0.53 0.00 0.00 176.83 177.08 2e5h h LYS 32 N 0.00 0.00 0.00 2.24 2.10 -1.52 -2.71 116.57 116.68 2e5h h LYS 32 Ca -0.00 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.40 2e5h h LYS 32 Cb 0.39 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.69 2e5h h LYS 32 CO 0.03 0.00 -1.78 0.66 -2.00 0.00 0.00 179.45 176.35 2e5h n TYR 33 N -3.28 0.00 -3.82 0.07 4.01 -0.90 -5.06 117.16 108.18 2e5h n TYR 33 Ca 0.05 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.66 2e5h n TYR 33 Cb 0.62 -0.70 -0.09 0.00 -0.31 0.00 0.00 39.34 38.86 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 -5.19 -0.06 0.30 2.72 0.00 -1.02 -4.96 107.32 99.12 2e5h s GLY 34 Ca -0.30 0.12 -0.30 0.00 0.00 0.00 0.00 44.72 44.24 2e5h s GLY 34 CO 0.40 -0.04 1.58 1.17 0.00 0.00 0.00 173.10 176.21 2e5h n LYS 35 N 1.49 2.68 -3.95 2.90 0.00 -1.26 -3.87 118.16 116.15 2e5h n LYS 35 Ca -0.22 0.95 -0.36 0.00 0.00 0.00 0.00 58.31 58.69 2e5h n LYS 35 Cb 0.56 -2.73 -0.08 0.00 0.00 0.00 0.00 35.03 32.78 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 -0.10 5.16 -0.21 3.15 1.01 -1.26 -2.20 120.40 125.95 2e5h s VAL 36 Ca 0.63 0.09 0.15 0.00 0.00 0.00 0.00 61.98 62.85 2e5h s VAL 36 Cb -0.50 -3.28 -0.23 0.00 0.00 0.00 0.00 36.38 32.37 2e5h s VAL 36 CO 0.50 0.55 0.01 0.52 0.00 0.00 0.00 175.10 176.68 2e5h n VAL 37 N 2.67 1.40 -3.61 2.92 0.31 -0.95 -4.90 118.33 116.17 2e5h n VAL 37 Ca -0.18 -0.80 -0.15 0.00 -0.01 0.00 0.00 64.34 63.19 2e5h n VAL 37 Cb 0.54 -0.64 -0.07 0.00 -0.91 0.00 0.00 33.84 32.75 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 -2.49 0.88 0.11 5.55 1.02 -1.24 -5.08 119.74 118.49 2e5h s LYS 38 Ca -0.15 0.57 0.04 0.00 0.02 0.00 0.00 55.97 56.46 2e5h s LYS 38 Cb 0.07 0.42 -0.04 0.00 -0.52 0.00 0.00 37.83 37.76 2e5h s LYS 38 CO 0.78 -0.19 0.06 0.08 -0.92 0.00 0.00 175.35 175.16 2e5h s VAL 39 N -0.40 4.33 -0.08 3.17 1.01 -1.26 -1.64 120.40 125.53 2e5h s VAL 39 Ca -0.05 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 60.91 2e5h s VAL 39 Cb -0.03 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.26 2e5h s VAL 39 CO 0.05 0.05 0.22 -0.89 0.00 0.00 0.00 175.10 174.53 2e5h s THR 40 N -1.47 0.00 0.02 3.92 2.01 0.46 -4.87 115.64 115.71 2e5h s THR 40 Ca 0.29 -0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.32 2e5h s THR 40 Cb -0.11 -0.31 -0.02 0.00 0.01 0.00 0.00 72.50 72.07 2e5h s THR 40 CO 0.21 -0.00 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.38 2e5h s ILE 41 N 0.11 0.99 0.61 1.82 1.01 -1.26 0.93 121.20 125.40 2e5h s ILE 41 Ca -0.00 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 59.76 2e5h s ILE 41 Cb -0.02 -0.88 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 2e5h s ILE 41 CO 0.00 0.07 0.97 -0.04 0.00 0.00 0.00 174.94 175.95 2e5h s MET 42 N -0.83 3.25 -0.23 2.79 -1.94 -0.53 -4.88 119.30 116.92 2e5h s MET 42 Ca 0.02 0.40 -0.07 0.00 -1.71 0.00 0.00 55.69 54.33 2e5h s MET 42 Cb -0.07 -2.16 0.11 0.00 2.01 0.00 0.00 34.83 34.72 2e5h s MET 42 CO 0.01 -0.65 0.48 0.15 -0.01 0.00 0.00 175.02 175.00 2e5h s LYS 43 N -5.10 0.40 1.36 2.03 1.02 -1.26 -4.01 119.74 114.18 2e5h s LYS 43 Ca 0.54 1.09 -0.21 0.00 0.02 0.00 0.00 55.97 57.41 2e5h s LYS 43 Cb -0.11 0.41 0.33 0.00 -0.52 0.00 0.00 37.83 37.94 2e5h s LYS 43 CO 0.50 -0.30 0.79 -3.47 -0.92 0.00 0.00 175.35 171.95 2e5h n ASP 44 N 5.41 -3.65 -0.11 2.83 2.03 -0.90 -4.85 116.55 117.30 2e5h n ASP 44 Ca -0.08 -0.69 -0.16 0.00 0.52 0.00 0.00 54.79 54.38 2e5h n ASP 44 Cb 0.49 -1.00 -0.10 0.00 -0.72 0.00 0.00 41.12 39.79 2e5h n ASP 44 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2e5h n LYS 45 N -4.97 0.56 -0.00 -0.67 5.02 -1.26 -3.91 118.16 112.93 2e5h n LYS 45 Ca 0.10 0.13 -0.00 0.00 -2.02 0.00 0.00 58.31 56.53 2e5h n LYS 45 Cb 0.55 -1.45 -0.00 0.00 -0.02 0.00 0.00 35.03 34.12 2e5h n LYS 45 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2e5h h ASP 46 N -0.04 0.00 0.27 4.39 3.58 -2.00 -3.38 116.42 119.24 2e5h h ASP 46 Ca -0.51 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 56.89 2e5h h ASP 46 Cb 1.77 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.81 2e5h h ASP 46 CO -0.09 0.05 -0.26 0.71 -2.88 0.00 0.00 179.24 176.77 2e5h h THR 47 N -0.08 1.16 -5.75 2.25 1.35 -2.00 -3.46 112.91 106.37 2e5h h THR 47 Ca 0.00 -0.90 -0.36 0.00 -0.55 0.00 0.00 66.41 64.60 2e5h h THR 47 Cb 0.01 1.49 0.15 0.00 -1.73 0.00 0.00 68.15 68.07 2e5h h THR 47 CO 0.00 0.25 -0.75 0.54 -0.25 0.00 0.00 175.52 175.31 2e5h n ARG 48 N -4.19 -6.83 -4.38 4.72 1.74 -1.25 -4.97 116.66 101.50 2e5h n ARG 48 Ca -0.02 0.82 -0.24 0.00 -0.77 0.00 0.00 57.85 57.64 2e5h n ARG 48 Cb 0.31 -5.81 -0.11 0.00 -1.02 0.00 0.00 32.46 25.83 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 -5.69 1.39 0.22 5.56 -0.14 -1.26 -4.74 119.74 115.07 2e5h s LYS 49 Ca 0.17 -1.48 -0.05 0.00 -1.36 0.00 0.00 55.97 53.25 2e5h s LYS 49 Cb -0.08 -1.54 0.20 0.00 -1.68 0.00 0.00 37.83 34.73 2e5h s LYS 49 CO 0.74 0.32 1.69 1.03 -0.76 0.00 0.00 175.35 178.37 2e5h h SER 50 N 3.15 0.88 -2.02 2.83 0.87 -1.92 -2.40 113.55 114.93 2e5h h SER 50 Ca -0.43 -0.25 -0.42 0.00 -1.23 0.00 0.00 61.79 59.46 2e5h h SER 50 Cb 1.21 -0.24 -0.09 0.00 -0.44 0.00 0.00 62.40 62.84 2e5h h SER 50 CO 0.51 0.97 -0.46 0.29 -0.53 0.00 0.00 176.83 177.61 2e5h n LYS 51 N -4.18 -1.58 0.00 2.24 5.02 -1.26 -2.31 118.16 116.10 2e5h n LYS 51 Ca 0.02 1.11 0.00 0.00 -2.02 0.00 0.00 58.31 57.42 2e5h n LYS 51 Cb 0.35 -5.64 0.00 0.00 -0.02 0.00 0.00 35.03 29.72 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 -0.70 1.41 3.52 0.72 0.00 -1.25 -4.27 105.19 104.62 2e5h n GLY 52 Ca -0.23 -0.03 -0.50 0.00 0.00 0.00 0.00 46.02 45.26 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 0.28 -3.88 1.61 0.31 -0.98 -3.03 118.33 112.64 2e5h n VAL 53 Ca 0.00 -0.24 -0.11 0.00 -0.01 0.00 0.00 64.34 63.98 2e5h n VAL 53 Cb 0.00 -1.75 -0.11 0.00 -0.91 0.00 0.00 33.84 31.07 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 6.60 -0.26 -0.13 3.52 0.00 0.78 -1.45 121.76 130.81 2e5h s ALA 54 Ca 1.05 -0.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.92 2e5h s ALA 54 Cb -0.79 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2e5h s ALA 54 CO 0.49 -0.16 -0.03 -0.06 0.00 0.00 0.00 175.76 176.00 2e5h s PHE 55 N -0.97 3.04 -0.17 0.00 0.40 0.26 -1.56 117.98 118.98 2e5h s PHE 55 Ca -0.11 -0.17 -0.01 0.00 -0.60 0.00 0.00 56.93 56.04 2e5h s PHE 55 Cb -0.06 -1.91 -0.01 0.00 0.51 0.00 0.00 43.02 41.56 2e5h s PHE 55 CO 0.01 0.09 -0.11 0.42 0.70 0.00 0.00 175.22 176.33 2e5h s ILE 56 N 0.03 3.03 -0.22 0.64 -1.09 -0.86 -0.40 121.20 122.32 2e5h s ILE 56 Ca 0.01 -0.64 -0.15 0.00 -2.23 0.00 0.00 60.65 57.63 2e5h s ILE 56 Cb -0.13 -2.31 -0.04 0.00 -1.58 0.00 0.00 42.46 38.40 2e5h s ILE 56 CO 0.03 0.49 0.38 -0.22 -1.23 0.00 0.00 174.94 174.39 2e5h s LEU 57 N 0.88 4.12 0.20 2.97 0.20 -0.65 -0.03 118.68 126.37 2e5h s LEU 57 Ca -0.03 0.44 0.06 0.00 0.69 0.00 0.00 54.13 55.30 2e5h s LEU 57 Cb -0.15 -2.48 -0.04 0.00 -0.43 0.00 0.00 46.19 43.10 2e5h s LEU 57 CO -0.00 -0.10 0.14 -0.36 -0.29 0.00 0.00 176.35 175.74 2e5h s PHE 58 N 1.49 3.10 0.10 5.38 0.40 -1.26 -2.23 117.98 124.96 2e5h s PHE 58 Ca 0.18 -0.06 -0.14 0.00 -0.60 0.00 0.00 56.93 56.31 2e5h s PHE 58 Cb -0.15 -1.45 -0.13 0.00 0.51 0.00 0.00 43.02 41.79 2e5h s PHE 58 CO 0.08 0.52 1.33 1.25 0.70 0.00 0.00 175.22 179.11 2e5h h LEU 59 N 2.12 0.88 -8.34 -0.37 5.85 -1.79 -3.44 115.31 110.21 2e5h h LEU 59 Ca -0.48 -0.58 -0.56 0.00 0.84 0.00 0.00 57.88 57.10 2e5h h LEU 59 Cb 1.21 -0.26 -0.30 0.00 0.37 0.00 0.00 40.66 41.69 2e5h h LEU 59 CO 0.62 1.31 -0.84 -0.62 -0.34 0.00 0.00 178.44 178.57 2e5h s ASP 60 N -6.91 2.15 0.07 1.25 2.15 -1.26 -5.05 116.67 109.07 2e5h s ASP 60 Ca -0.11 -0.33 -0.22 0.00 0.43 0.00 0.00 52.55 52.32 2e5h s ASP 60 Cb 0.08 -0.26 -0.13 0.00 -0.30 0.00 0.00 42.92 42.32 2e5h s ASP 60 CO 0.88 0.22 1.59 0.50 -0.17 0.00 0.00 175.17 178.19 2e5h h LYS 61 N 5.72 0.15 -0.79 4.34 3.64 -1.91 -2.33 116.57 125.39 2e5h h LYS 61 Ca -0.37 -0.03 0.23 0.00 -1.27 0.00 0.00 60.65 59.21 2e5h h LYS 61 Cb 1.15 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 2e5h h LYS 61 CO 0.48 0.28 0.72 -0.44 -2.27 0.00 0.00 179.45 178.23 2e5h h ASP 62 N -0.01 0.00 0.70 4.20 3.32 -1.98 0.73 116.42 123.38 2e5h h ASP 62 Ca 0.03 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.82 2e5h h ASP 62 Cb 0.19 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2e5h h ASP 62 CO -0.00 0.00 -1.38 0.28 -1.72 0.00 0.00 179.24 176.41 2e5h h SER 63 N 0.00 0.06 -0.18 6.45 0.02 -1.81 -3.34 113.55 114.75 2e5h h SER 63 Ca 0.37 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 61.11 2e5h h SER 63 Cb 1.82 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.34 2e5h h SER 63 CO -0.00 1.08 -0.36 0.00 -1.14 0.00 0.00 176.83 176.41 2e5h h ALA 64 N 0.91 0.29 -0.36 3.77 0.00 0.81 -3.27 119.26 121.42 2e5h h ALA 64 Ca -0.16 -0.43 0.08 0.00 0.00 0.00 0.00 54.91 54.39 2e5h h ALA 64 Cb 1.91 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 19.57 2e5h h ALA 64 CO 0.11 0.36 -0.29 1.96 0.00 0.00 0.00 179.25 181.38 2e5h h GLN 65 N 0.22 -0.24 -0.60 0.00 4.20 -1.25 0.05 115.11 117.49 2e5h h GLN 65 Ca 0.01 0.02 0.12 0.00 0.06 0.00 0.00 58.65 58.85 2e5h h GLN 65 Cb 0.95 0.05 -0.12 0.00 0.30 0.00 0.00 27.48 28.67 2e5h h GLN 65 CO 0.08 -0.16 -0.20 -0.97 -0.67 0.00 0.00 178.83 176.91 2e5h h ASN 66 N -0.25 -0.73 -0.64 1.46 -0.73 -1.68 0.19 115.58 113.20 2e5h h ASN 66 Ca 0.17 0.20 -0.02 0.00 1.87 0.00 0.00 56.30 58.51 2e5h h ASN 66 Cb 0.51 0.43 -0.03 0.00 0.27 0.00 0.00 38.32 39.51 2e5h h ASN 66 CO -0.49 -0.24 0.33 0.00 -0.37 0.00 0.00 177.43 176.66 2e5h h THR 68 N 0.94 0.00 0.00 0.00 2.02 0.12 -1.89 112.91 114.10 2e5h h THR 68 Ca 0.23 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 2e5h h THR 68 Cb 0.07 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2e5h h THR 68 CO -0.03 0.00 -1.45 -1.14 0.37 0.00 0.00 175.52 173.27 2e5h n ARG 69 N -2.50 0.32 0.02 6.66 0.00 -0.44 -3.86 116.66 116.87 2e5h n ARG 69 Ca -0.01 -0.09 -0.08 0.00 -0.00 0.00 0.00 57.85 57.68 2e5h n ARG 69 Cb 0.12 -1.23 -0.06 0.00 0.00 0.00 0.00 32.46 31.30 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 0.89 -0.17 0.03 5.13 0.00 0.25 -3.36 119.26 122.04 2e5h h ALA 70 Ca -0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.50 2e5h h ALA 70 Cb 0.46 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2e5h h ALA 70 CO 0.00 -0.20 -1.03 -0.84 0.00 0.00 0.00 179.25 177.19 2e5h h ILE 71 N -0.97 1.61 -2.41 0.00 3.07 -1.62 -3.44 117.51 113.74 2e5h h ILE 71 Ca -0.02 -3.14 -0.61 0.00 1.55 0.00 0.00 64.86 62.64 2e5h h ILE 71 Cb 0.43 2.78 0.10 0.00 -0.27 0.00 0.00 36.82 39.86 2e5h h ILE 71 CO 0.03 0.90 0.18 -3.20 -1.05 0.00 0.00 178.15 175.01 2e5h n ASN 72 N -3.47 1.40 -3.31 2.16 2.85 -1.25 -1.02 115.26 112.61 2e5h n ASN 72 Ca -0.03 1.17 -0.24 0.00 -0.11 0.00 0.00 54.58 55.37 2e5h n ASN 72 Cb 0.93 -1.29 0.02 0.00 1.24 0.00 0.00 39.78 40.68 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 1.38 -4.92 -4.12 1.20 3.02 -1.24 -4.90 115.26 105.68 2e5h n ASN 73 Ca 0.10 -0.41 -0.16 0.00 -0.03 0.00 0.00 54.58 54.09 2e5h n ASN 73 Cb 0.31 -3.99 -0.12 0.00 -0.61 0.00 0.00 39.78 35.37 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 -5.99 0.68 -0.38 3.52 2.47 -0.19 -5.06 119.74 114.79 2e5h s LYS 74 Ca 0.41 -0.84 -0.15 0.00 -1.56 0.00 0.00 55.97 53.83 2e5h s LYS 74 Cb -0.20 -0.57 0.01 0.00 -1.46 0.00 0.00 37.83 35.60 2e5h s LYS 74 CO 0.50 0.12 0.30 -0.65 0.16 0.00 0.00 175.35 175.79 2e5h s GLN 75 N -1.62 3.20 0.04 4.03 -0.21 -1.26 -1.78 119.66 122.05 2e5h s GLN 75 Ca -0.06 -0.82 0.08 0.00 0.02 0.00 0.00 55.36 54.58 2e5h s GLN 75 Cb -0.10 -3.91 -0.03 0.00 1.00 0.00 0.00 33.01 29.97 2e5h s GLN 75 CO 0.01 -0.65 -0.24 -0.51 -2.12 0.00 0.00 175.29 171.78 2e5h s LEU 76 N 1.77 2.15 -1.39 2.90 1.02 -1.21 -4.66 118.68 119.26 2e5h s LEU 76 Ca 0.07 -0.55 0.00 0.00 0.02 0.00 0.00 54.13 53.67 2e5h s LEU 76 Cb -0.18 -1.19 0.00 0.00 0.02 0.00 0.00 46.19 44.84 2e5h s LEU 76 CO 0.11 0.23 0.00 0.49 0.02 0.00 0.00 176.35 177.20 2e5h n PHE 77 N 1.89 -0.90 -3.07 0.29 3.01 -1.26 -1.10 117.46 116.31 2e5h n PHE 77 Ca -0.17 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.16 2e5h n PHE 77 Cb 0.52 -2.98 0.05 0.00 -0.01 0.00 0.00 39.48 37.06 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 -0.64 0.04 3.15 1.37 0.00 -1.26 -4.99 105.19 102.86 2e5h n GLY 78 Ca -0.17 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.78 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 -5.53 0.40 -0.39 1.61 1.70 -0.26 -5.12 118.95 111.37 2e5h s ARG 79 Ca 0.26 0.70 -0.41 0.00 -0.47 0.00 0.00 55.73 55.81 2e5h s ARG 79 Cb -0.11 0.39 -0.16 0.00 -0.57 0.00 0.00 34.95 34.49 2e5h s ARG 79 CO 0.43 -0.45 1.97 0.28 -1.08 0.00 0.00 175.30 176.45 2e5h n VAL 80 N 5.44 0.15 -3.72 4.99 0.31 -1.26 -3.30 118.33 120.94 2e5h n VAL 80 Ca -0.03 -0.09 -0.35 0.00 -0.01 0.00 0.00 64.34 63.85 2e5h n VAL 80 Cb 0.52 -1.05 -0.08 0.00 -0.91 0.00 0.00 33.84 32.32 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 5.26 5.41 -0.14 2.52 1.01 -0.74 -4.59 121.20 129.92 2e5h s ILE 81 Ca 1.09 0.23 -0.06 0.00 0.00 0.00 0.00 60.65 61.91 2e5h s ILE 81 Cb -1.18 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 37.77 2e5h s ILE 81 CO 0.63 0.45 0.06 -0.54 0.00 0.00 0.00 174.94 175.54 2e5h s LYS 82 N 0.22 3.57 -0.03 2.79 3.01 -1.17 -3.72 119.74 124.41 2e5h s LYS 82 Ca 0.10 -0.32 0.05 0.00 -1.01 0.00 0.00 55.97 54.79 2e5h s LYS 82 Cb -0.11 -3.08 -0.01 0.00 -1.01 0.00 0.00 37.83 33.62 2e5h s LYS 82 CO -0.01 0.51 -0.17 0.00 0.51 0.00 0.00 175.35 176.19 2e5h s ALA 83 N -0.29 1.49 -0.27 5.17 0.00 -1.26 -1.49 121.76 125.12 2e5h s ALA 83 Ca 0.08 -0.72 -0.18 0.00 0.00 0.00 0.00 51.96 51.15 2e5h s ALA 83 Cb -0.12 -0.44 0.08 0.00 0.00 0.00 0.00 23.12 22.63 2e5h s ALA 83 CO 0.02 0.31 0.68 -1.12 0.00 0.00 0.00 175.76 175.65 2e5h s SER 84 N -0.16 -0.89 0.12 0.00 0.01 -0.23 -4.85 113.70 107.71 2e5h s SER 84 Ca 0.01 1.47 -0.34 0.00 1.31 0.00 0.00 55.95 58.40 2e5h s SER 84 Cb -0.09 1.38 -0.14 0.00 0.21 0.00 0.00 66.02 67.37 2e5h s SER 84 CO 0.01 -0.24 1.59 -0.38 0.41 0.00 0.00 173.24 174.63 2e5h n ILE 85 N 3.97 0.07 -3.30 1.44 2.08 -1.26 -0.37 119.36 121.99 2e5h n ILE 85 Ca -0.19 -0.01 -0.45 0.00 0.56 0.00 0.00 62.75 62.66 2e5h n ILE 85 Cb 0.58 -1.49 -0.06 0.00 -0.75 0.00 0.00 39.64 37.92 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 1.26 3.58 -1.88 -1.39 0.00 -1.11 -4.79 121.76 117.44 2e5h s ALA 86 Ca 0.81 -2.33 0.15 0.00 0.00 0.00 0.00 51.96 50.60 2e5h s ALA 86 Cb -0.71 -3.24 0.12 0.00 0.00 0.00 0.00 23.12 19.28 2e5h s ALA 86 CO 0.41 -1.97 0.98 0.44 0.00 0.00 0.00 175.76 175.62