#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e8m n SER 2 N 0.00 0.00 -3.61 1.61 7.64 -1.26 -4.44 113.62 113.56 2e8m n SER 2 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 2e8m n SER 2 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 2e8m n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2e8m s SER 3 N -2.29 -1.15 -0.30 6.43 0.01 -1.26 -5.14 113.70 110.01 2e8m s SER 3 Ca 0.00 1.52 -0.12 0.00 1.31 0.00 0.00 55.95 58.66 2e8m s SER 3 Cb 0.00 2.29 0.18 0.00 0.21 0.00 0.00 66.02 68.70 2e8m s SER 3 CO 0.00 -0.22 1.00 -0.83 0.41 0.00 0.00 173.24 173.60 2e8m s GLY 4 N 2.89 -0.46 1.12 3.44 0.00 -1.26 -5.17 107.32 107.88 2e8m s GLY 4 Ca -0.04 2.62 -0.18 0.00 0.00 0.00 0.00 44.72 47.11 2e8m s GLY 4 CO -0.19 3.79 1.18 -0.56 0.00 0.00 0.00 173.10 177.32 2e8m s SER 5 N 2.94 1.64 -0.42 1.64 0.01 -1.26 -4.88 113.70 113.37 2e8m s SER 5 Ca 0.03 0.51 0.08 0.00 1.31 0.00 0.00 55.95 57.89 2e8m s SER 5 Cb -0.10 -0.69 0.33 0.00 0.21 0.00 0.00 66.02 65.77 2e8m s SER 5 CO -0.13 -3.67 0.96 -1.54 0.41 0.00 0.00 173.24 169.27 2e8m n SER 6 N -4.43 -1.04 0.00 2.44 3.41 -1.26 -5.10 113.62 107.63 2e8m n SER 6 Ca 0.14 -3.42 0.00 0.00 -0.26 0.00 0.00 58.87 55.33 2e8m n SER 6 Cb 0.59 0.88 0.00 0.00 -0.26 0.00 0.00 64.21 65.43 2e8m n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e8m n GLY 7 N 0.34 4.09 3.46 5.00 0.00 -1.26 -5.18 105.19 111.64 2e8m n GLY 7 Ca 0.14 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 2e8m n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2e8m s THR 8 N -0.08 0.01 -0.04 2.61 -4.23 -1.26 -5.17 115.64 107.48 2e8m s THR 8 Ca 0.00 -0.06 0.03 0.00 -1.18 0.00 0.00 61.69 60.47 2e8m s THR 8 Cb 0.00 -0.82 -0.03 0.00 1.34 0.00 0.00 72.50 72.99 2e8m s THR 8 CO 0.00 -0.03 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.31 2e8m s ILE 9 N -0.24 3.35 0.22 2.99 1.09 -1.26 -5.13 121.20 122.23 2e8m s ILE 9 Ca -0.04 -0.68 0.00 0.00 -1.10 0.00 0.00 60.65 58.83 2e8m s ILE 9 Cb -0.03 -2.36 -0.04 0.00 -1.06 0.00 0.00 42.46 38.97 2e8m s ILE 9 CO 0.03 0.55 0.15 -0.83 -0.10 0.00 0.00 174.94 174.74 2e8m s GLY 10 N -0.91 1.58 -0.31 6.18 0.00 -1.26 -5.10 107.32 107.50 2e8m s GLY 10 Ca 0.13 -1.76 -0.28 0.00 0.00 0.00 0.00 44.72 42.81 2e8m s GLY 10 CO 0.02 -1.42 1.84 -1.60 0.00 0.00 0.00 173.10 171.94 2e8m s ARG 11 N -4.06 3.34 -0.44 2.90 3.52 -1.26 -4.95 118.95 118.00 2e8m s ARG 11 Ca 0.39 1.52 -0.06 0.00 -0.13 0.00 0.00 55.73 57.45 2e8m s ARG 11 Cb 0.06 -4.21 0.11 0.00 -1.56 0.00 0.00 34.95 29.36 2e8m s ARG 11 CO 0.14 -1.86 0.27 -1.12 -0.81 0.00 0.00 175.30 171.93 2e8m s SER 12 N 6.26 5.48 -0.13 -2.12 0.01 -1.26 -4.92 113.70 117.02 2e8m s SER 12 Ca 0.82 -1.96 -0.12 0.00 1.31 0.00 0.00 55.95 56.00 2e8m s SER 12 Cb -0.24 -1.92 -0.25 0.00 0.21 0.00 0.00 66.02 63.82 2e8m s SER 12 CO 0.34 -0.61 0.40 0.00 0.41 0.00 0.00 173.24 173.78 2e8m h ALA 13 N 8.25 0.32 -2.59 1.44 0.00 -2.06 -3.49 119.26 121.13 2e8m h ALA 13 Ca -0.17 -1.27 -0.09 0.00 0.00 0.00 0.00 54.91 53.38 2e8m h ALA 13 Cb 1.06 0.64 -0.13 0.00 0.00 0.00 0.00 17.79 19.36 2e8m h ALA 13 CO 0.78 1.05 -0.32 0.00 0.00 0.00 0.00 179.25 180.76 2e8m s ALA 14 N -2.50 -0.16 -0.19 0.00 0.00 -1.26 -5.14 121.76 112.51 2e8m s ALA 14 Ca -0.23 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 50.82 2e8m s ALA 14 Cb 0.06 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 2e8m s ALA 14 CO 0.74 -0.59 0.60 -0.65 0.00 0.00 0.00 175.76 175.87 2e8m s GLN 15 N -3.91 4.22 -0.29 0.00 -1.52 -1.26 -4.59 119.66 112.31 2e8m s GLN 15 Ca 0.11 0.58 -0.00 0.00 -1.95 0.00 0.00 55.36 54.09 2e8m s GLN 15 Cb 0.04 -3.57 0.00 0.00 -0.22 0.00 0.00 33.01 29.26 2e8m s GLN 15 CO -0.06 -0.20 0.01 1.17 -0.25 0.00 0.00 175.29 175.96 2e8m n LYS 16 N 4.90 -3.40 -3.29 2.91 3.00 -1.26 -4.95 118.16 116.07 2e8m n LYS 16 Ca -0.02 2.73 -0.39 0.00 -0.00 0.00 0.00 58.31 60.63 2e8m n LYS 16 Cb 0.50 -5.17 -0.07 0.00 0.00 0.00 0.00 35.03 30.29 2e8m n LYS 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2e8m s LYS 17 N -1.58 4.17 -0.19 1.64 2.20 -1.26 -5.06 119.74 119.66 2e8m s LYS 17 Ca -0.01 0.33 -0.05 0.00 -0.36 0.00 0.00 55.97 55.88 2e8m s LYS 17 Cb 0.00 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 2e8m s LYS 17 CO 0.75 -0.14 0.01 -0.06 -0.36 0.00 0.00 175.35 175.55 2e8m s PHE 18 N 1.60 3.07 -0.06 4.03 0.08 -1.26 -5.09 117.98 120.36 2e8m s PHE 18 Ca 0.22 -0.33 -0.04 0.00 0.12 0.00 0.00 56.93 56.90 2e8m s PHE 18 Cb -0.15 -2.07 0.02 0.00 -0.57 0.00 0.00 43.02 40.25 2e8m s PHE 18 CO 0.09 -0.15 0.14 -1.58 -0.10 0.00 0.00 175.22 173.63 2e8m s HIS 19 N 0.83 -0.16 0.20 0.36 2.46 -1.26 -5.16 115.29 112.56 2e8m s HIS 19 Ca 0.01 0.42 0.09 0.00 0.47 0.00 0.00 55.06 56.05 2e8m s HIS 19 Cb -0.14 0.01 -0.04 0.00 -0.13 0.00 0.00 32.58 32.28 2e8m s HIS 19 CO 0.02 -0.11 -0.08 0.14 -2.47 0.00 0.00 174.74 172.24 2e8m s VAL 20 N 0.44 3.20 0.49 0.89 -7.23 -1.26 -5.12 120.40 111.81 2e8m s VAL 20 Ca -0.03 -1.76 -0.22 0.00 -1.81 0.00 0.00 61.98 58.17 2e8m s VAL 20 Cb -0.04 -2.61 -0.07 0.00 0.56 0.00 0.00 36.38 34.21 2e8m s VAL 20 CO -0.02 -0.18 1.15 -2.16 -0.31 0.00 0.00 175.10 173.58 2e8m s PRO 21 N -3.04 3.63 0.01 4.82 0.04 -1.26 -4.99 135.00 134.20 2e8m s PRO 21 Ca 0.26 1.72 -0.22 0.00 0.04 0.00 0.00 61.00 62.80 2e8m s PRO 21 Cb -0.08 -2.28 -0.12 0.00 0.04 0.00 0.00 34.50 32.06 2e8m s PRO 21 CO 0.16 -0.65 1.00 0.00 0.04 0.00 0.00 177.00 177.55 2e8m h ARG 22 N 1.77 -0.77 -5.23 4.56 2.47 -2.09 -3.41 114.38 111.68 2e8m h ARG 22 Ca -0.50 0.05 -0.64 0.00 -1.26 0.00 0.00 59.98 57.64 2e8m h ARG 22 Cb 1.25 0.18 -0.15 0.00 -1.65 0.00 0.00 29.97 29.60 2e8m h ARG 22 CO 0.59 -0.52 -0.08 -0.65 0.56 0.00 0.00 179.97 179.88 2e8m s GLN 23 N -4.24 3.75 -0.11 0.04 -0.21 -1.26 -5.05 119.66 112.57 2e8m s GLN 23 Ca -0.12 -0.06 0.02 0.00 0.02 0.00 0.00 55.36 55.22 2e8m s GLN 23 Cb 0.01 -3.76 0.01 0.00 1.00 0.00 0.00 33.01 30.27 2e8m s GLN 23 CO 0.35 -0.54 -0.16 1.21 -2.12 0.00 0.00 175.29 174.03 2e8m s ASN 24 N 1.71 2.54 0.14 5.90 3.84 -1.26 -5.13 114.94 122.67 2e8m s ASN 24 Ca 0.18 -0.45 0.09 0.00 0.21 0.00 0.00 52.86 52.89 2e8m s ASN 24 Cb -0.16 -1.14 -0.04 0.00 -0.55 0.00 0.00 41.25 39.36 2e8m s ASN 24 CO 0.12 0.03 -0.22 0.68 -2.79 0.00 0.00 177.10 174.92 2e8m s VAL 25 N 0.93 1.97 0.87 -5.21 -7.23 -1.26 -5.14 120.40 105.32 2e8m s VAL 25 Ca -0.07 -1.76 -0.11 0.00 -1.81 0.00 0.00 61.98 58.22 2e8m s VAL 25 Cb -0.15 -1.82 0.11 0.00 0.56 0.00 0.00 36.38 35.08 2e8m s VAL 25 CO -0.01 -0.09 1.09 -2.16 -0.31 0.00 0.00 175.10 173.62 2e8m s PRO 26 N -2.27 1.49 -0.19 4.82 0.04 -1.26 -4.96 135.00 132.67 2e8m s PRO 26 Ca 0.13 0.90 -0.29 0.00 0.04 0.00 0.00 61.00 61.77 2e8m s PRO 26 Cb -0.09 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2e8m s PRO 26 CO 0.06 -2.10 1.30 0.08 0.04 0.00 0.00 177.00 176.38 2e8m s VAL 27 N -2.93 4.20 0.18 -0.36 1.01 -1.26 -5.01 120.40 116.24 2e8m s VAL 27 Ca 0.63 1.42 -0.22 0.00 0.00 0.00 0.00 61.98 63.81 2e8m s VAL 27 Cb -0.18 -4.00 -0.08 0.00 0.00 0.00 0.00 36.38 32.12 2e8m s VAL 27 CO 0.57 -0.22 0.73 -0.63 0.00 0.00 0.00 175.10 175.55 2e8m s ILE 28 N 3.79 4.51 0.05 2.22 -1.09 -1.26 -5.07 121.20 124.35 2e8m s ILE 28 Ca 0.56 1.44 -0.19 0.00 -2.23 0.00 0.00 60.65 60.23 2e8m s ILE 28 Cb -0.21 -3.97 0.04 0.00 -1.58 0.00 0.00 42.46 36.74 2e8m s ILE 28 CO 0.18 0.37 0.44 0.20 -1.23 0.00 0.00 174.94 174.89 2e8m s ASN 29 N -1.40 -0.32 0.15 3.58 -0.87 -1.26 -4.98 114.94 109.85 2e8m s ASN 29 Ca 0.39 0.01 0.06 0.00 -1.57 0.00 0.00 52.86 51.74 2e8m s ASN 29 Cb -0.19 0.45 -0.04 0.00 -0.02 0.00 0.00 41.25 41.44 2e8m s ASN 29 CO 0.23 -0.70 -0.13 0.27 -2.57 0.00 0.00 177.10 174.20 2e8m s ILE 30 N -2.60 1.40 0.40 0.60 -4.36 -1.26 -4.98 121.20 110.40 2e8m s ILE 30 Ca -0.04 -1.97 0.05 0.00 -0.26 0.00 0.00 60.65 58.43 2e8m s ILE 30 Cb -0.01 -1.78 -0.02 0.00 1.25 0.00 0.00 42.46 41.90 2e8m s ILE 30 CO -0.03 -0.57 0.19 0.42 0.24 0.00 0.00 174.94 175.19 2e8m s THR 31 N -2.76 0.33 -0.44 8.37 -4.23 -1.26 -4.89 115.64 110.77 2e8m s THR 31 Ca 0.15 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.88 2e8m s THR 31 Cb -0.01 -2.34 0.22 0.00 1.34 0.00 0.00 72.50 71.71 2e8m s THR 31 CO 0.03 0.00 1.66 -1.22 -0.54 0.00 0.00 174.62 174.55 2e8m n TYR 32 N -0.87 0.71 -1.90 3.99 4.01 -1.26 -2.17 117.16 119.67 2e8m n TYR 32 Ca -0.02 0.31 -0.16 0.00 -0.16 0.00 0.00 57.90 57.87 2e8m n TYR 32 Cb 0.64 -1.00 0.07 0.00 -0.31 0.00 0.00 39.34 38.74 2e8m n TYR 32 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2e8m n ASP 33 N -2.18 4.10 -4.98 7.72 2.03 -1.26 -3.35 116.55 118.63 2e8m n ASP 33 Ca 0.01 -3.79 -0.20 0.00 0.52 0.00 0.00 54.79 51.33 2e8m n ASP 33 Cb 0.16 -0.40 0.02 0.00 -0.72 0.00 0.00 41.12 40.18 2e8m n ASP 33 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2e8m s SER 34 N -3.48 5.52 0.24 1.67 0.01 -0.92 -4.99 113.70 111.75 2e8m s SER 34 Ca 0.48 -0.08 -0.01 0.00 1.31 0.00 0.00 55.95 57.64 2e8m s SER 34 Cb 0.40 -0.96 -0.04 0.00 0.21 0.00 0.00 66.02 65.63 2e8m s SER 34 CO 0.01 -0.92 0.45 0.42 0.41 0.00 0.00 173.24 173.61 2e8m s THR 35 N -2.58 5.15 -1.20 1.44 -4.23 -1.26 -3.04 115.64 109.92 2e8m s THR 35 Ca 0.54 -0.30 0.15 0.00 -1.18 0.00 0.00 61.69 60.90 2e8m s THR 35 Cb -0.10 -3.75 0.18 0.00 1.34 0.00 0.00 72.50 70.17 2e8m s THR 35 CO 0.36 -0.26 1.44 -0.81 -0.54 0.00 0.00 174.62 174.80 2e8m n PRO 36 N -0.90 0.10 -0.01 3.99 -0.04 -1.26 -2.25 135.00 134.63 2e8m n PRO 36 Ca -0.04 0.20 0.02 0.00 -0.04 0.00 0.00 63.50 63.64 2e8m n PRO 36 Cb 0.54 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 2e8m n PRO 36 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2e8m n GLU 37 N -1.40 0.65 0.07 0.54 2.13 -1.26 -4.07 120.64 117.29 2e8m n GLU 37 Ca 0.05 0.04 -0.05 0.00 0.66 0.00 0.00 57.16 57.87 2e8m n GLU 37 Cb 0.14 -1.66 -0.09 0.00 0.27 0.00 0.00 31.44 30.10 2e8m n GLU 37 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2e8m h ASP 38 N 0.00 0.00 0.05 4.31 5.19 -1.83 -3.29 116.42 120.85 2e8m h ASP 38 Ca -0.20 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.12 2e8m h ASP 38 Cb 1.53 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.03 2e8m h ASP 38 CO 0.03 0.87 -0.29 0.58 -3.12 0.00 0.00 179.24 177.30 2e8m h VAL 39 N 0.00 1.27 -0.58 -1.35 2.07 -1.69 -2.51 116.25 113.46 2e8m h VAL 39 Ca -0.05 -1.29 0.03 0.00 0.82 0.00 0.00 66.70 66.21 2e8m h VAL 39 Cb 1.70 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.87 2e8m h VAL 39 CO 0.10 0.40 0.34 0.50 0.02 0.00 0.00 177.57 178.93 2e8m h LYS 40 N 0.33 0.64 -0.01 1.57 3.64 -1.71 -1.86 116.57 119.17 2e8m h LYS 40 Ca 0.05 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.25 2e8m h LYS 40 Cb 0.68 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 2e8m h LYS 40 CO 0.05 0.43 -0.63 1.15 -2.27 0.00 0.00 179.45 178.18 2e8m h THR 41 N 0.66 1.44 -0.37 1.00 2.02 -1.66 -2.81 112.91 113.20 2e8m h THR 41 Ca 0.24 -2.14 -0.06 0.00 0.77 0.00 0.00 66.41 65.23 2e8m h THR 41 Cb 0.06 2.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 2e8m h THR 41 CO -0.12 0.61 -0.01 -0.25 0.37 0.00 0.00 175.52 176.13 2e8m h TRP 42 N 0.03 0.60 -0.01 3.16 7.01 -0.92 -0.62 115.95 125.21 2e8m h TRP 42 Ca -0.01 -0.07 -0.21 0.00 2.11 0.00 0.00 58.89 60.72 2e8m h TRP 42 Cb 1.12 -0.17 0.02 0.00 -2.10 0.00 0.00 29.16 28.02 2e8m h TRP 42 CO 0.00 0.59 -0.80 -0.07 -2.79 0.00 0.00 178.44 175.38 2e8m h LEU 43 N 0.55 0.71 -0.31 0.65 3.38 -1.27 -3.17 115.31 115.86 2e8m h LEU 43 Ca 0.12 -0.74 -0.02 0.00 0.09 0.00 0.00 57.88 57.32 2e8m h LEU 43 Cb 0.37 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2e8m h LEU 43 CO 0.01 1.37 0.12 1.56 0.09 0.00 0.00 178.44 181.59 2e8m h GLN 44 N 0.14 0.47 -0.44 1.13 1.08 -1.32 -1.95 115.11 114.22 2e8m h GLN 44 Ca -0.10 -0.09 0.09 0.00 -1.45 0.00 0.00 58.65 57.10 2e8m h GLN 44 Cb 1.48 -0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 28.76 2e8m h GLN 44 CO 0.16 0.49 -0.06 1.03 -0.95 0.00 0.00 178.83 179.50 2e8m h SER 45 N 0.35 -0.30 -0.16 1.46 0.87 -1.20 0.12 113.55 114.68 2e8m h SER 45 Ca 0.10 0.12 0.04 0.00 -1.23 0.00 0.00 61.79 60.82 2e8m h SER 45 Cb 0.20 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2e8m h SER 45 CO -0.01 -0.11 0.12 0.11 -0.53 0.00 0.00 176.83 176.41 2e8m h LYS 46 N 0.05 0.04 0.00 2.24 1.79 -1.49 -3.46 116.57 115.74 2e8m h LYS 46 Ca 0.22 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 2e8m h LYS 46 Cb 0.33 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2e8m h LYS 46 CO -0.41 0.03 0.00 0.41 -1.08 0.00 0.00 179.45 178.39 2e8m n GLY 47 N -1.56 1.67 3.78 3.86 0.00 0.40 -5.10 105.19 108.24 2e8m n GLY 47 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2e8m n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2e8m s PHE 48 N -2.00 3.56 0.80 1.61 0.08 -0.75 -5.01 117.98 116.26 2e8m s PHE 48 Ca 0.00 1.73 -0.15 0.00 0.12 0.00 0.00 56.93 58.63 2e8m s PHE 48 Cb 0.00 -2.98 -0.00 0.00 -0.57 0.00 0.00 43.02 39.47 2e8m s PHE 48 CO 0.00 -0.04 0.57 0.27 -0.10 0.00 0.00 175.22 175.92 2e8m n ASN 49 N 0.34 -1.19 0.20 1.36 6.94 -1.26 -4.62 115.26 117.03 2e8m n ASN 49 Ca 0.03 0.52 0.07 0.00 -0.02 0.00 0.00 54.58 55.17 2e8m n ASN 49 Cb 0.50 -1.25 0.42 0.00 -2.36 0.00 0.00 39.78 37.10 2e8m n ASN 49 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2e8m h PRO 50 N -0.76 0.00 0.00 -0.53 0.13 -1.99 -2.79 132.00 126.07 2e8m h PRO 50 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2e8m h PRO 50 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 2e8m h PRO 50 CO 0.41 0.32 -0.04 0.28 -0.23 0.00 0.00 178.00 178.73 2e8m h VAL 51 N 0.00 0.34 0.06 1.56 2.07 -2.00 -1.55 116.25 116.72 2e8m h VAL 51 Ca -0.00 -0.25 -0.35 0.00 0.82 0.00 0.00 66.70 66.92 2e8m h VAL 51 Cb 0.73 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 2e8m h VAL 51 CO 0.04 0.04 -2.00 0.41 0.02 0.00 0.00 177.57 176.09 2e8m n THR 52 N -3.48 1.64 0.30 2.57 -1.04 -1.07 -3.63 114.28 109.58 2e8m n THR 52 Ca -0.02 -0.47 0.18 0.00 -2.04 0.00 0.00 64.05 61.69 2e8m n THR 52 Cb 0.16 -1.75 0.95 0.00 -1.82 0.00 0.00 70.33 67.86 2e8m n THR 52 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2e8m h VAL 53 N -0.29 0.26 0.23 12.58 2.07 -1.36 0.23 116.25 129.97 2e8m h VAL 53 Ca -0.47 -0.22 -0.34 0.00 0.82 0.00 0.00 66.70 66.49 2e8m h VAL 53 Cb 1.80 1.17 0.03 0.00 -1.52 0.00 0.00 31.29 32.77 2e8m h VAL 53 CO -0.07 0.03 -1.57 -1.13 0.02 0.00 0.00 177.57 174.86 2e8m h ASN 54 N 0.00 0.76 0.03 0.57 -0.73 -1.45 -2.03 115.58 112.73 2e8m h ASN 54 Ca -0.00 -0.93 -0.15 0.00 1.87 0.00 0.00 56.30 57.09 2e8m h ASN 54 Cb 0.17 -0.25 0.01 0.00 0.27 0.00 0.00 38.32 38.52 2e8m h ASN 54 CO 0.00 1.74 -0.61 -1.28 -0.37 0.00 0.00 177.43 176.91 2e8m h SER 55 N 0.11 0.48 -0.43 1.15 0.87 -1.49 -3.25 113.55 111.00 2e8m h SER 55 Ca -0.29 -0.81 -0.02 0.00 -1.23 0.00 0.00 61.79 59.45 2e8m h SER 55 Cb 2.13 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.93 2e8m h SER 55 CO 0.24 1.23 0.02 0.18 -0.53 0.00 0.00 176.83 177.97 2e8m n LEU 56 N -4.23 4.48 -1.34 2.23 4.77 0.76 -4.07 117.00 119.60 2e8m n LEU 56 Ca -0.11 -2.28 0.12 0.00 -0.03 0.00 0.00 56.01 53.71 2e8m n LEU 56 Cb 0.69 -0.64 0.31 0.00 -2.33 0.00 0.00 43.42 41.45 2e8m n LEU 56 CO 0.46 0.54 0.77 0.61 -1.33 0.00 0.00 177.39 178.44 2e8m n GLY 57 N 0.40 2.38 0.00 -0.72 0.00 -0.76 -4.15 105.19 102.34 2e8m n GLY 57 Ca 0.21 -0.80 0.01 0.00 0.00 0.00 0.00 46.02 45.45 2e8m n GLY 57 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2e8m n VAL 58 N 1.65 0.00 -3.41 1.61 0.24 -1.26 -4.55 118.33 112.61 2e8m n VAL 58 Ca 0.24 -0.21 -0.38 0.00 -2.04 0.00 0.00 64.34 61.95 2e8m n VAL 58 Cb 0.62 0.66 -0.06 0.00 -1.47 0.00 0.00 33.84 33.59 2e8m n VAL 58 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2e8m s LEU 59 N -2.77 4.44 0.82 1.34 1.43 -1.26 -4.73 118.68 117.95 2e8m s LEU 59 Ca -0.00 0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 53.98 2e8m s LEU 59 Cb 0.02 -2.68 0.08 0.00 0.03 0.00 0.00 46.19 43.65 2e8m s LEU 59 CO 0.12 0.24 1.09 0.54 0.23 0.00 0.00 176.35 178.57 2e8m s ASN 60 N -0.69 4.24 0.36 2.29 2.20 -1.26 -4.22 114.94 117.86 2e8m s ASN 60 Ca 0.25 1.44 0.12 0.00 -0.94 0.00 0.00 52.86 53.74 2e8m s ASN 60 Cb -0.17 -2.17 0.92 0.00 -2.00 0.00 0.00 41.25 37.84 2e8m s ASN 60 CO 0.14 -2.15 1.81 1.23 -2.94 0.00 0.00 177.10 175.19 2e8m h GLY 61 N -1.21 1.34 0.98 0.45 0.00 -1.67 -0.33 103.07 102.62 2e8m h GLY 61 Ca -0.47 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 46.56 2e8m h GLY 61 CO 0.57 -0.04 -0.24 0.00 0.00 0.00 0.00 176.54 176.82 2e8m h ALA 62 N 1.62 -0.67 -0.01 3.60 0.00 -1.60 0.42 119.26 122.62 2e8m h ALA 62 Ca 0.54 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2e8m h ALA 62 Cb 1.08 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2e8m h ALA 62 CO -0.28 -0.86 0.01 1.96 0.00 0.00 0.00 179.25 180.07 2e8m h GLN 63 N -0.70 0.02 -0.82 0.00 1.08 -1.67 -2.41 115.11 110.60 2e8m h GLN 63 Ca -0.07 -0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.22 2e8m h GLN 63 Cb 0.53 -0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.90 2e8m h GLN 63 CO 0.11 0.02 0.54 1.25 -0.95 0.00 0.00 178.83 179.80 2e8m h LEU 64 N 0.00 0.73 -1.75 1.46 6.46 -1.05 0.14 115.31 121.29 2e8m h LEU 64 Ca 0.00 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 2e8m h LEU 64 Cb 0.01 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.80 2e8m h LEU 64 CO -0.00 0.44 -0.08 -0.26 -0.62 0.00 0.00 178.44 177.92 2e8m h PHE 65 N 0.81 0.00 0.00 1.25 -1.00 -0.44 -2.40 116.94 115.16 2e8m h PHE 65 Ca 0.37 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.97 2e8m h PHE 65 Cb 0.38 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.91 2e8m h PHE 65 CO -0.00 0.08 -0.90 1.03 -1.61 0.00 0.00 178.31 176.90 2e8m h SER 66 N 0.00 0.00 -3.99 2.17 0.87 -0.31 -3.46 113.55 108.84 2e8m h SER 66 Ca -0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 2e8m h SER 66 Cb 0.43 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 62.48 2e8m h SER 66 CO 0.01 0.86 0.58 -0.76 -0.53 0.00 0.00 176.83 176.99 2e8m s LEU 67 N -6.60 4.06 0.00 2.23 1.43 -0.91 -5.04 118.68 113.85 2e8m s LEU 67 Ca 0.01 2.59 0.04 0.00 -1.03 0.00 0.00 54.13 55.75 2e8m s LEU 67 Cb 0.09 -4.10 0.04 0.00 0.03 0.00 0.00 46.19 42.26 2e8m s LEU 67 CO 0.80 -1.07 0.34 -0.46 0.23 0.00 0.00 176.35 176.20 2e8m n ASN 68 N -0.36 2.83 0.18 2.29 6.94 -1.26 -4.89 115.26 120.99 2e8m n ASN 68 Ca 0.06 -2.91 0.18 0.00 -0.02 0.00 0.00 54.58 51.89 2e8m n ASN 68 Cb 0.45 0.02 0.81 0.00 -2.36 0.00 0.00 39.78 38.70 2e8m n ASN 68 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 2e8m h LYS 69 N 0.00 0.00 0.00 -3.83 3.64 -1.95 0.10 116.57 114.53 2e8m h LYS 69 Ca -0.35 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.02 2e8m h LYS 69 Cb 1.25 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2e8m h LYS 69 CO 0.56 0.00 -0.08 0.22 -2.27 0.00 0.00 179.45 177.88 2e8m h ASP 70 N 0.00 0.00 -0.80 4.20 3.58 -1.95 -2.55 116.42 118.90 2e8m h ASP 70 Ca 0.11 -0.02 0.14 0.00 0.42 0.00 0.00 57.03 57.68 2e8m h ASP 70 Cb 0.65 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.61 2e8m h ASP 70 CO -0.00 0.55 0.37 -0.33 -2.88 0.00 0.00 179.24 176.95 2e8m h GLU 71 N -1.00 0.52 -0.20 0.28 4.39 -1.86 0.71 114.58 117.41 2e8m h GLU 71 Ca -0.00 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 2e8m h GLU 71 Cb 0.10 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2e8m h GLU 71 CO -0.00 0.34 -0.40 -0.07 -1.16 0.00 0.00 179.01 177.72 2e8m h LEU 72 N 0.54 0.48 -1.29 1.33 3.38 -1.14 -2.29 115.31 116.32 2e8m h LEU 72 Ca 0.43 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 2e8m h LEU 72 Cb 0.63 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2e8m h LEU 72 CO -0.38 0.84 -0.19 -0.09 0.09 0.00 0.00 178.44 178.71 2e8m h ARG 73 N 0.38 0.00 0.06 1.13 2.43 -0.51 -1.89 114.38 115.98 2e8m h ARG 73 Ca 0.03 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 2e8m h ARG 73 Cb 0.87 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 2e8m h ARG 73 CO 0.07 0.19 -0.49 1.79 -1.51 0.00 0.00 179.97 180.03 2e8m h THR 74 N 0.00 1.58 -0.50 0.20 1.35 -0.67 -3.35 112.91 111.52 2e8m h THR 74 Ca -0.00 -2.41 -0.06 0.00 -0.55 0.00 0.00 66.41 63.39 2e8m h THR 74 Cb 0.66 3.19 -0.02 0.00 -1.73 0.00 0.00 68.15 70.25 2e8m h THR 74 CO 0.03 0.63 0.06 1.62 -0.25 0.00 0.00 175.52 177.61 2e8m h VAL 75 N -0.72 1.23 -3.69 6.82 3.04 -1.40 -3.45 116.25 118.08 2e8m h VAL 75 Ca -0.10 -0.89 -0.12 0.00 -1.01 0.00 0.00 66.70 64.58 2e8m h VAL 75 Cb 1.31 0.78 -0.18 0.00 -2.01 0.00 0.00 31.29 31.20 2e8m h VAL 75 CO 0.04 0.32 -0.47 0.00 -1.01 0.00 0.00 177.57 176.45 2e8m h PRO 77 N 3.64 0.00 -0.80 0.00 0.13 -1.82 -2.71 132.00 130.44 2e8m h PRO 77 Ca -0.32 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.66 2e8m h PRO 77 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 2e8m h PRO 77 CO 0.49 0.13 0.19 0.39 -0.23 0.00 0.00 178.00 178.97 2e8m n GLU 78 N -3.33 3.26 0.30 0.86 -0.58 -1.26 -4.55 120.64 115.34 2e8m n GLU 78 Ca -0.00 -2.40 -0.17 0.00 -0.42 0.00 0.00 57.16 54.17 2e8m n GLU 78 Cb 0.35 -2.03 -0.08 0.00 -0.57 0.00 0.00 31.44 29.11 2e8m n GLU 78 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2e8m h GLY 79 N 3.29 -0.92 0.36 0.62 0.00 -1.55 0.97 103.07 105.85 2e8m h GLY 79 Ca 0.18 0.39 0.24 0.00 0.00 0.00 0.00 47.33 48.14 2e8m h GLY 79 CO 0.56 -0.33 0.59 0.00 0.00 0.00 0.00 176.54 177.36 2e8m h ALA 80 N -0.47 2.76 0.08 3.60 0.00 -1.80 0.32 119.26 123.75 2e8m h ALA 80 Ca -0.06 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.56 2e8m h ALA 80 Cb 0.70 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2e8m h ALA 80 CO 0.04 -1.01 -1.23 0.00 0.00 0.00 0.00 179.25 177.05 2e8m h ARG 81 N 0.00 0.16 -0.01 0.00 2.47 -1.71 -3.17 114.38 112.13 2e8m h ARG 81 Ca 0.39 -0.28 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 2e8m h ARG 81 Cb 1.57 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.99 2e8m h ARG 81 CO -0.00 1.10 -0.04 0.28 0.56 0.00 0.00 179.97 181.86 2e8m h VAL 82 N 0.04 1.54 -0.87 2.04 2.07 0.20 -3.22 116.25 118.06 2e8m h VAL 82 Ca -0.12 -1.65 0.12 0.00 0.82 0.00 0.00 66.70 65.87 2e8m h VAL 82 Cb 1.91 2.64 -0.08 0.00 -1.52 0.00 0.00 31.29 34.24 2e8m h VAL 82 CO 0.17 0.43 0.50 0.22 0.02 0.00 0.00 177.57 178.91 2e8m h TYR 83 N -0.64 0.89 0.00 1.57 3.20 -0.87 0.23 116.97 121.36 2e8m h TYR 83 Ca -0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 2e8m h TYR 83 Cb 0.73 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.73 2e8m h TYR 83 CO 0.17 0.32 -0.01 1.03 -1.64 0.00 0.00 178.16 178.02 2e8m h SER 84 N 0.78 0.00 0.92 -2.11 0.87 -1.61 0.16 113.55 112.56 2e8m h SER 84 Ca 0.44 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.93 2e8m h SER 84 Cb 0.48 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2e8m h SER 84 CO -0.29 0.01 -1.13 1.56 -0.53 0.00 0.00 176.83 176.46 2e8m h GLN 85 N 0.00 0.00 0.00 2.24 1.08 -0.60 -3.36 115.11 114.48 2e8m h GLN 85 Ca -0.00 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.93 2e8m h GLN 85 Cb 0.05 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.43 2e8m h GLN 85 CO 0.00 0.12 -1.55 0.82 -0.95 0.00 0.00 178.83 177.28 2e8m h ILE 86 N 0.00 1.04 -0.52 2.54 2.04 -0.04 -3.34 117.51 119.24 2e8m h ILE 86 Ca -0.06 -2.87 0.09 0.00 1.00 0.00 0.00 64.86 63.02 2e8m h ILE 86 Cb 1.24 2.52 -0.03 0.00 -0.74 0.00 0.00 36.82 39.81 2e8m h ILE 86 CO 0.02 0.60 0.35 0.00 0.00 0.00 0.00 178.15 179.12 2e8m h THR 87 N 0.00 0.90 0.00 -0.27 1.03 -0.90 0.11 112.91 113.78 2e8m h THR 87 Ca -0.22 -0.11 -0.06 0.00 -0.01 0.00 0.00 66.41 66.01 2e8m h THR 87 Cb 1.96 0.55 -0.01 0.00 -1.07 0.00 0.00 68.15 69.58 2e8m h THR 87 CO 0.09 0.06 -0.29 1.62 -0.01 0.00 0.00 175.52 176.99 2e8m h VAL 88 N 0.32 0.60 0.02 0.00 3.04 -1.73 -2.45 116.25 116.04 2e8m h VAL 88 Ca 0.24 -1.47 -0.13 0.00 -1.01 0.00 0.00 66.70 64.33 2e8m h VAL 88 Cb 0.51 2.00 0.01 0.00 -2.01 0.00 0.00 31.29 31.81 2e8m h VAL 88 CO -0.05 0.29 -0.53 1.56 -1.01 0.00 0.00 177.57 177.82 2e8m h GLN 89 N 0.00 0.32 -0.45 4.17 1.08 -0.96 -3.13 115.11 116.14 2e8m h GLN 89 Ca -0.00 -0.37 -0.10 0.00 -1.45 0.00 0.00 58.65 56.72 2e8m h GLN 89 Cb 0.98 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.51 2e8m h GLN 89 CO 0.04 1.08 -0.12 0.87 -0.95 0.00 0.00 178.83 179.74 2e8m h LYS 90 N -0.27 0.89 -0.03 1.46 1.57 -1.42 -2.68 116.57 116.09 2e8m h LYS 90 Ca -0.07 -0.35 0.01 0.00 -1.87 0.00 0.00 60.65 58.37 2e8m h LYS 90 Cb 1.28 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.54 2e8m h LYS 90 CO 0.10 0.99 0.04 0.00 -0.57 0.00 0.00 179.45 180.01 2e8m h ALA 91 N 0.87 1.59 -0.04 3.86 0.00 -1.54 0.11 119.26 124.10 2e8m h ALA 91 Ca 0.11 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 2e8m h ALA 91 Cb 0.67 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.48 2e8m h ALA 91 CO 0.05 -0.05 -0.61 0.00 0.00 0.00 0.00 179.25 178.64 2e8m h ALA 92 N 1.96 0.13 -0.06 0.00 0.00 -1.42 -3.33 119.26 116.54 2e8m h ALA 92 Ca 0.02 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 2e8m h ALA 92 Cb 0.09 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2e8m h ALA 92 CO -0.00 0.40 -0.37 -0.07 0.00 0.00 0.00 179.25 179.20 2e8m h LEU 93 N 0.04 0.43 -9.45 0.00 3.38 -1.25 -3.44 115.31 105.03 2e8m h LEU 93 Ca -0.06 -0.67 -0.56 0.00 0.09 0.00 0.00 57.88 56.68 2e8m h LEU 93 Cb 1.28 -0.13 0.04 0.00 0.09 0.00 0.00 40.66 41.94 2e8m h LEU 93 CO 0.12 1.04 1.06 -0.24 0.09 0.00 0.00 178.44 180.51 2e8m n SER 94 N -4.38 3.75 -4.69 -0.43 2.88 0.31 -4.97 113.62 106.10 2e8m n SER 94 Ca -0.09 1.00 -0.29 0.00 -1.33 0.00 0.00 58.87 58.16 2e8m n SER 94 Cb 0.54 -1.49 0.13 0.00 -0.75 0.00 0.00 64.21 62.64 2e8m n SER 94 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2e8m s GLY 95 N 2.77 1.61 -0.88 0.46 0.00 -1.26 -4.88 107.32 105.14 2e8m s GLY 95 Ca 0.84 -0.69 -0.25 0.00 0.00 0.00 0.00 44.72 44.63 2e8m s GLY 95 CO 0.41 -0.11 1.94 2.56 0.00 0.00 0.00 173.10 177.90 2e8m s PRO 96 N -5.48 2.56 -0.50 2.90 0.04 -1.26 -4.82 135.00 128.44 2e8m s PRO 96 Ca 0.65 -0.21 0.07 0.00 0.04 0.00 0.00 61.00 61.55 2e8m s PRO 96 Cb -0.12 -5.01 0.27 0.00 0.04 0.00 0.00 34.50 29.69 2e8m s PRO 96 CO 0.52 -3.33 0.67 -1.13 0.04 0.00 0.00 177.00 173.77 2e8m n SER 97 N 13.89 1.99 -4.82 6.66 3.41 -1.26 -5.11 113.62 128.38 2e8m n SER 97 Ca 0.39 -3.10 -0.29 0.00 -0.26 0.00 0.00 58.87 55.60 2e8m n SER 97 Cb 0.47 -0.64 0.11 0.00 -0.26 0.00 0.00 64.21 63.89 2e8m n SER 97 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2e8m s SER 98 N -2.03 4.11 0.00 4.04 0.01 -1.26 -5.27 113.70 113.29 2e8m s SER 98 Ca 0.39 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.70 2e8m s SER 98 Cb 0.20 -1.68 0.00 0.00 0.21 0.00 0.00 66.02 64.75 2e8m s SER 98 CO -0.07 -2.18 0.00 0.61 0.41 0.00 0.00 173.24 172.00