#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e8m s SER 2 N 0.00 -0.22 -0.10 1.61 0.15 -1.26 -5.14 113.70 108.74 2e8m s SER 2 Ca 0.00 0.45 -0.03 0.00 0.70 0.00 0.00 55.95 57.06 2e8m s SER 2 Cb 0.00 0.37 0.05 0.00 -1.71 0.00 0.00 66.02 64.73 2e8m s SER 2 CO 0.00 -0.13 0.16 -0.94 1.20 0.00 0.00 173.24 173.53 2e8m s SER 3 N 0.83 0.94 -0.17 5.45 1.04 -1.26 -5.12 113.70 115.42 2e8m s SER 3 Ca -0.06 0.20 -0.29 0.00 0.48 0.00 0.00 55.95 56.28 2e8m s SER 3 Cb -0.07 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.26 2e8m s SER 3 CO -0.05 -0.26 1.28 -0.83 0.98 0.00 0.00 173.24 174.36 2e8m s GLY 4 N 2.28 1.63 -0.47 7.32 0.00 -1.26 -4.92 107.32 111.90 2e8m s GLY 4 Ca 0.04 0.46 0.06 0.00 0.00 0.00 0.00 44.72 45.28 2e8m s GLY 4 CO -0.06 2.52 0.85 -1.26 0.00 0.00 0.00 173.10 175.14 2e8m n SER 5 N 6.65 -2.29 -0.04 1.64 2.88 -1.26 -5.02 113.62 116.19 2e8m n SER 5 Ca 0.14 -3.24 -0.04 0.00 -1.33 0.00 0.00 58.87 54.40 2e8m n SER 5 Cb 0.45 1.40 -0.01 0.00 -0.75 0.00 0.00 64.21 65.29 2e8m n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2e8m n SER 6 N 1.47 1.05 0.00 -3.46 2.88 -1.26 -5.07 113.62 109.23 2e8m n SER 6 Ca 0.11 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 2e8m n SER 6 Cb 0.62 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 2e8m n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e8m n GLY 7 N 1.75 1.96 3.21 0.46 0.00 -1.26 -4.88 105.19 106.42 2e8m n GLY 7 Ca -0.07 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 0.00 -0.25 2.61 -4.23 -1.26 -5.17 115.64 107.34 2e8m s THR 8 Ca 0.00 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.25 2e8m s THR 8 Cb 0.00 -2.50 0.12 0.00 1.34 0.00 0.00 72.50 71.46 2e8m s THR 8 CO 0.00 0.00 0.98 -0.51 -0.54 0.00 0.00 174.62 174.55 2e8m s ILE 9 N -4.06 0.00 0.05 2.99 2.07 -1.26 -5.13 121.20 115.86 2e8m s ILE 9 Ca 0.39 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 59.32 2e8m s ILE 9 Cb 0.06 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.55 2e8m s ILE 9 CO 0.14 0.00 1.89 0.61 -1.91 0.00 0.00 174.94 175.67 2e8m n GLY 10 N 1.93 1.69 3.41 1.50 0.00 -1.26 -4.97 105.19 107.49 2e8m n GLY 10 Ca -0.12 0.78 -0.35 0.00 0.00 0.00 0.00 46.02 46.33 2e8m n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e8m s ARG 11 N 3.56 3.54 -0.29 1.61 3.00 -1.26 -4.98 118.95 124.13 2e8m s ARG 11 Ca 0.86 -0.56 0.21 0.00 0.00 0.00 0.00 55.73 56.24 2e8m s ARG 11 Cb -0.51 -2.99 0.49 0.00 0.00 0.00 0.00 34.95 31.93 2e8m s ARG 11 CO 0.42 0.01 1.08 0.45 0.00 0.00 0.00 175.30 177.26 2e8m n SER 12 N 4.22 1.30 -4.11 0.23 2.88 -1.26 -5.10 113.62 111.79 2e8m n SER 12 Ca -0.18 -2.27 -0.16 0.00 -1.33 0.00 0.00 58.87 54.94 2e8m n SER 12 Cb 0.52 -0.41 -0.12 0.00 -0.75 0.00 0.00 64.21 63.45 2e8m n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2e8m s ALA 13 N -3.30 0.85 1.06 -1.46 0.00 -1.26 -5.15 121.76 112.50 2e8m s ALA 13 Ca 0.26 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 51.23 2e8m s ALA 13 Cb 0.38 -0.02 0.22 0.00 0.00 0.00 0.00 23.12 23.70 2e8m s ALA 13 CO -0.02 0.07 1.07 0.00 0.00 0.00 0.00 175.76 176.88 2e8m s ALA 14 N -1.31 0.38 0.27 0.00 0.00 -1.26 -4.96 121.76 114.89 2e8m s ALA 14 Ca -0.06 -0.17 -0.29 0.00 0.00 0.00 0.00 51.96 51.43 2e8m s ALA 14 Cb -0.10 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 2e8m s ALA 14 CO 0.01 -3.26 1.26 1.14 0.00 0.00 0.00 175.76 174.92 2e8m s GLN 15 N -4.71 4.43 0.00 0.00 -2.07 -1.26 -4.95 119.66 111.10 2e8m s GLN 15 Ca 0.67 2.07 0.00 0.00 -1.82 0.00 0.00 55.36 56.28 2e8m s GLN 15 Cb -0.22 -3.14 0.00 0.00 -1.09 0.00 0.00 33.01 28.56 2e8m s GLN 15 CO 0.61 -0.12 0.00 1.63 -1.32 0.00 0.00 175.29 176.08 2e8m n LYS 16 N 1.52 0.00 -3.62 9.60 5.02 -1.26 -5.04 118.16 124.38 2e8m n LYS 16 Ca 0.02 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.08 2e8m n LYS 16 Cb 0.43 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.51 2e8m n LYS 16 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2e8m n LYS 17 N -2.18 -7.01 -4.19 1.97 0.00 -1.26 -4.99 118.16 100.49 2e8m n LYS 17 Ca 0.00 0.78 -0.35 0.00 0.00 0.00 0.00 58.31 58.74 2e8m n LYS 17 Cb 0.00 -5.76 -0.09 0.00 0.00 0.00 0.00 35.03 29.18 2e8m n LYS 17 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 2e8m s PHE 18 N -3.36 3.28 -0.25 5.64 5.36 -1.26 -5.09 117.98 122.30 2e8m s PHE 18 Ca 0.41 0.24 -0.10 0.00 -0.96 0.00 0.00 56.93 56.52 2e8m s PHE 18 Cb -0.19 -1.88 -0.05 0.00 -0.34 0.00 0.00 43.02 40.57 2e8m s PHE 18 CO 0.75 0.47 0.16 -1.01 -1.46 0.00 0.00 175.22 174.13 2e8m s HIS 19 N -0.67 3.26 0.21 10.12 3.76 -1.26 -5.09 115.29 125.63 2e8m s HIS 19 Ca 0.11 0.14 0.11 0.00 -0.15 0.00 0.00 55.06 55.27 2e8m s HIS 19 Cb -0.12 -2.30 -0.04 0.00 1.11 0.00 0.00 32.58 31.23 2e8m s HIS 19 CO 0.02 -0.04 -0.18 0.14 -0.85 0.00 0.00 174.74 173.84 2e8m s VAL 20 N 1.31 2.68 -0.06 -0.90 -7.23 -1.26 -5.10 120.40 109.84 2e8m s VAL 20 Ca 0.07 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 2e8m s VAL 20 Cb -0.14 -2.34 -0.05 0.00 0.56 0.00 0.00 36.38 34.41 2e8m s VAL 20 CO 0.07 -0.19 1.50 -2.16 -0.31 0.00 0.00 175.10 174.00 2e8m s PRO 21 N -2.96 4.22 -0.87 4.82 0.04 -1.26 -4.97 135.00 134.02 2e8m s PRO 21 Ca 0.25 2.02 -0.04 0.00 0.04 0.00 0.00 61.00 63.26 2e8m s PRO 21 Cb -0.07 -3.81 0.22 0.00 0.04 0.00 0.00 34.50 30.87 2e8m s PRO 21 CO 0.13 -0.74 0.76 1.03 0.04 0.00 0.00 177.00 178.22 2e8m s ARG 22 N 3.44 3.30 0.68 4.56 0.52 -1.26 -5.07 118.95 125.13 2e8m s ARG 22 Ca 0.67 -3.05 -0.14 0.00 -0.52 0.00 0.00 55.73 52.69 2e8m s ARG 22 Cb -0.30 -4.04 0.01 0.00 0.52 0.00 0.00 34.95 31.13 2e8m s ARG 22 CO 0.25 -1.25 1.10 -0.65 0.02 0.00 0.00 175.30 174.78 2e8m s GLN 23 N -0.94 2.71 -0.81 3.54 -0.21 -1.26 -4.95 119.66 117.74 2e8m s GLN 23 Ca 0.25 1.30 -0.02 0.00 0.02 0.00 0.00 55.36 56.91 2e8m s GLN 23 Cb -0.10 -1.94 0.35 0.00 1.00 0.00 0.00 33.01 32.31 2e8m s GLN 23 CO -0.10 -1.31 2.05 0.09 -2.12 0.00 0.00 175.29 173.91 2e8m n ASN 24 N -2.69 7.53 -4.68 5.90 4.13 -1.26 -4.97 115.26 119.22 2e8m n ASN 24 Ca 0.10 -3.81 -0.29 0.00 1.68 0.00 0.00 54.58 52.26 2e8m n ASN 24 Cb 0.52 -1.06 -0.08 0.00 -1.54 0.00 0.00 39.78 37.62 2e8m n ASN 24 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2e8m s VAL 25 N -4.94 3.89 0.87 2.41 -7.23 -1.26 -5.12 120.40 109.01 2e8m s VAL 25 Ca 0.54 -1.17 -0.11 0.00 -1.81 0.00 0.00 61.98 59.42 2e8m s VAL 25 Cb 0.45 -2.89 0.11 0.00 0.56 0.00 0.00 36.38 34.61 2e8m s VAL 25 CO -0.35 0.02 1.09 -2.16 -0.31 0.00 0.00 175.10 173.39 2e8m s PRO 26 N -2.58 1.49 0.41 4.82 0.04 -1.26 -4.99 135.00 132.93 2e8m s PRO 26 Ca 0.26 0.90 -0.25 0.00 0.04 0.00 0.00 61.00 61.95 2e8m s PRO 26 Cb -0.11 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 2e8m s PRO 26 CO 0.18 -2.10 1.21 0.54 0.04 0.00 0.00 177.00 176.87 2e8m s VAL 27 N -2.93 2.98 0.04 -0.36 0.11 -1.26 -5.04 120.40 113.94 2e8m s VAL 27 Ca 0.63 0.82 0.06 0.00 -2.93 0.00 0.00 61.98 60.56 2e8m s VAL 27 Cb -0.18 -3.46 -0.03 0.00 -1.53 0.00 0.00 36.38 31.18 2e8m s VAL 27 CO 0.57 0.07 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.63 2e8m s ILE 28 N -1.39 3.06 0.01 7.04 -1.09 -1.26 -5.13 121.20 122.43 2e8m s ILE 28 Ca 0.58 -1.10 -0.20 0.00 -2.23 0.00 0.00 60.65 57.70 2e8m s ILE 28 Cb -0.32 -2.32 0.04 0.00 -1.58 0.00 0.00 42.46 38.28 2e8m s ILE 28 CO 0.41 0.32 0.45 0.20 -1.23 0.00 0.00 174.94 175.09 2e8m s ASN 29 N -1.53 -0.36 0.16 3.58 -0.87 -1.26 -5.00 114.94 109.66 2e8m s ASN 29 Ca 0.16 0.20 0.08 0.00 -1.57 0.00 0.00 52.86 51.73 2e8m s ASN 29 Cb -0.11 0.42 -0.04 0.00 -0.02 0.00 0.00 41.25 41.51 2e8m s ASN 29 CO 0.07 -0.59 -0.16 0.27 -2.57 0.00 0.00 177.10 174.11 2e8m s ILE 30 N -1.85 1.66 0.39 0.60 -4.36 -1.26 -5.00 121.20 111.37 2e8m s ILE 30 Ca -0.09 -1.94 0.05 0.00 -0.26 0.00 0.00 60.65 58.41 2e8m s ILE 30 Cb -0.02 -1.81 -0.02 0.00 1.25 0.00 0.00 42.46 41.86 2e8m s ILE 30 CO 0.02 -0.42 0.18 0.42 0.24 0.00 0.00 174.94 175.38 2e8m s THR 31 N -2.32 0.38 0.01 8.37 -4.23 -1.26 -4.88 115.64 111.71 2e8m s THR 31 Ca 0.16 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.98 2e8m s THR 31 Cb -0.04 -2.38 0.33 0.00 1.34 0.00 0.00 72.50 71.75 2e8m s THR 31 CO 0.06 0.00 1.93 1.88 -0.54 0.00 0.00 174.62 177.95 2e8m h TYR 32 N 1.89 0.00 -0.80 3.99 0.05 -1.95 -2.49 116.97 117.67 2e8m h TYR 32 Ca -0.32 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 57.89 2e8m h TYR 32 Cb 1.26 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.60 2e8m h TYR 32 CO 1.60 0.00 -0.46 -0.25 -1.05 0.00 0.00 178.16 178.00 2e8m n ASP 33 N -2.68 5.48 -5.00 3.88 8.00 -1.26 -3.19 116.55 121.78 2e8m n ASP 33 Ca -0.00 -3.76 -0.18 0.00 0.71 0.00 0.00 54.79 51.55 2e8m n ASP 33 Cb 0.17 -0.48 0.01 0.00 -0.02 0.00 0.00 41.12 40.81 2e8m n ASP 33 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2e8m s SER 34 N -3.22 5.66 0.23 -2.24 0.01 -0.94 -5.00 113.70 108.20 2e8m s SER 34 Ca 0.54 -0.26 -0.01 0.00 1.31 0.00 0.00 55.95 57.54 2e8m s SER 34 Cb 0.43 -0.86 -0.04 0.00 0.21 0.00 0.00 66.02 65.76 2e8m s SER 34 CO 0.03 -0.77 0.42 0.42 0.41 0.00 0.00 173.24 173.75 2e8m s THR 35 N -2.41 5.18 -1.19 1.44 -4.23 -1.26 -3.18 115.64 109.99 2e8m s THR 35 Ca 0.53 -0.38 0.14 0.00 -1.18 0.00 0.00 61.69 60.81 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 0.34 -0.24 1.43 -0.81 -0.54 0.00 0.00 174.62 174.81 2e8m n PRO 36 N -0.85 0.10 -0.00 3.99 -0.04 -1.26 -2.27 135.00 134.66 2e8m n PRO 36 Ca -0.05 0.21 -0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2e8m n PRO 36 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 2e8m n PRO 36 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2e8m n GLU 37 N -1.40 0.64 0.09 0.54 1.02 -1.26 -4.01 120.64 116.25 2e8m n GLU 37 Ca 0.05 0.10 -0.18 0.00 -0.02 0.00 0.00 57.16 57.11 2e8m n GLU 37 Cb 0.14 -1.70 -0.10 0.00 -0.02 0.00 0.00 31.44 29.76 2e8m n GLU 37 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2e8m h ASP 38 N 0.00 0.67 -0.83 1.62 5.19 -1.83 -3.27 116.42 117.98 2e8m h ASP 38 Ca -0.22 -0.61 0.06 0.00 -0.62 0.00 0.00 57.03 55.64 2e8m h ASP 38 Cb 1.62 -0.21 -0.05 0.00 0.18 0.00 0.00 39.33 40.87 2e8m h ASP 38 CO 0.03 1.43 0.54 0.58 -3.12 0.00 0.00 179.24 178.71 2e8m h VAL 39 N 0.22 1.07 -0.72 -1.35 2.07 -1.71 -1.47 116.25 114.36 2e8m h VAL 39 Ca -0.14 -0.32 0.12 0.00 0.82 0.00 0.00 66.70 67.18 2e8m h VAL 39 Cb 1.81 0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 31.54 2e8m h VAL 39 CO 0.21 0.17 0.30 0.50 0.02 0.00 0.00 177.57 178.77 2e8m h LYS 40 N 0.95 0.46 0.01 1.57 3.64 -1.72 -0.25 116.57 121.23 2e8m h LYS 40 Ca 0.35 -0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 59.48 2e8m h LYS 40 Cb 0.18 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2e8m h LYS 40 CO -0.12 0.30 -0.95 1.15 -2.27 0.00 0.00 179.45 177.56 2e8m h THR 41 N 0.47 1.41 -0.47 1.00 2.02 -1.51 -2.92 112.91 112.92 2e8m h THR 41 Ca 0.38 -2.50 -0.00 0.00 0.77 0.00 0.00 66.41 65.07 2e8m h THR 41 Cb 0.53 2.45 -0.02 0.00 -1.74 0.00 0.00 68.15 69.37 2e8m h THR 41 CO -0.36 0.74 0.29 -0.25 0.37 0.00 0.00 175.52 176.31 2e8m h TRP 42 N 0.21 0.60 -0.00 3.16 7.01 -0.25 0.18 115.95 126.86 2e8m h TRP 42 Ca -0.08 0.01 -0.22 0.00 2.11 0.00 0.00 58.89 60.70 2e8m h TRP 42 Cb 1.59 -0.20 0.02 0.00 -2.10 0.00 0.00 29.16 28.47 2e8m h TRP 42 CO 0.06 0.40 -0.87 -0.07 -2.79 0.00 0.00 178.44 175.16 2e8m h LEU 43 N 0.64 0.78 -0.34 0.65 3.38 -1.09 -3.14 115.31 116.19 2e8m h LEU 43 Ca 0.17 -0.74 -0.07 0.00 0.09 0.00 0.00 57.88 57.33 2e8m h LEU 43 Cb -0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2e8m h LEU 43 CO -0.03 1.42 -0.05 1.56 0.09 0.00 0.00 178.44 181.43 2e8m h GLN 44 N 0.21 0.62 -0.38 1.13 4.20 -1.25 -1.93 115.11 117.71 2e8m h GLN 44 Ca -0.11 -0.22 0.08 0.00 0.06 0.00 0.00 58.65 58.46 2e8m h GLN 44 Cb 1.55 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 29.21 2e8m h GLN 44 CO 0.17 0.78 -0.09 1.03 -0.67 0.00 0.00 178.83 180.05 2e8m h SER 45 N 0.42 -0.34 -0.05 1.46 0.87 -0.75 0.11 113.55 115.27 2e8m h SER 45 Ca 0.09 0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.78 2e8m h SER 45 Cb 0.52 0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2e8m h SER 45 CO 0.03 -0.12 0.04 0.11 -0.53 0.00 0.00 176.83 176.36 2e8m h LYS 46 N 0.01 0.00 0.00 2.24 1.79 -1.51 -3.46 116.57 115.65 2e8m h LYS 46 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 2e8m h LYS 46 Cb 0.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2e8m h LYS 46 CO -0.38 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.40 2e8m n GLY 47 N -1.44 1.33 3.85 3.86 0.00 0.39 -5.11 105.19 108.07 2e8m n GLY 47 Ca -0.02 0.00 -0.34 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 0.79 1.61 0.08 -0.74 -5.03 117.98 116.25 2e8m s PHE 48 Ca 0.00 0.98 -0.15 0.00 0.12 0.00 0.00 56.93 57.88 2e8m s PHE 48 Cb 0.00 -2.31 0.00 0.00 -0.57 0.00 0.00 43.02 40.14 2e8m s PHE 48 CO 0.00 0.40 0.63 0.27 -0.10 0.00 0.00 175.22 176.42 2e8m n ASN 49 N 0.59 -0.96 0.19 1.36 6.94 -1.26 -4.64 115.26 117.48 2e8m n ASN 49 Ca -0.04 0.53 0.04 0.00 -0.02 0.00 0.00 54.58 55.09 2e8m n ASN 49 Cb 0.52 -1.27 0.37 0.00 -2.36 0.00 0.00 39.78 37.03 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 -0.73 0.00 0.00 -0.53 0.13 -1.98 -2.83 132.00 126.06 2e8m h PRO 50 Ca -0.45 0.00 -0.00 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 0.38 -0.02 0.28 -0.23 0.00 0.00 178.00 178.83 2e8m h VAL 51 N 0.00 0.34 0.05 1.56 2.07 -2.00 -1.32 116.25 116.95 2e8m h VAL 51 Ca -0.00 -0.11 -0.33 0.00 0.82 0.00 0.00 66.70 67.08 2e8m h VAL 51 Cb 0.78 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 2e8m h VAL 51 CO 0.05 0.02 -1.84 0.41 0.02 0.00 0.00 177.57 176.23 2e8m n THR 52 N -3.54 1.63 0.32 2.57 -1.04 -1.08 -3.63 114.28 109.51 2e8m n THR 52 Ca -0.03 -0.37 0.21 0.00 -2.04 0.00 0.00 64.05 61.82 2e8m n THR 52 Cb 0.11 -1.84 1.08 0.00 -1.82 0.00 0.00 70.33 67.87 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 -0.48 0.07 0.19 12.58 2.07 -1.37 0.27 116.25 129.58 2e8m h VAL 53 Ca -0.45 -0.12 -0.30 0.00 0.82 0.00 0.00 66.70 66.66 2e8m h VAL 53 Cb 1.69 1.11 0.02 0.00 -1.52 0.00 0.00 31.29 32.59 2e8m h VAL 53 CO -0.11 0.01 -1.38 0.78 0.02 0.00 0.00 177.57 176.89 2e8m h ASN 54 N 0.00 0.63 1.17 0.57 2.35 -1.40 -1.00 115.58 117.90 2e8m h ASN 54 Ca -0.00 -0.92 -0.16 0.00 -0.55 0.00 0.00 56.30 54.67 2e8m h ASN 54 Cb 0.11 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 2e8m h ASN 54 CO 0.00 1.64 -0.75 -1.28 -1.65 0.00 0.00 177.43 175.39 2e8m h SER 55 N -0.06 0.00 -0.30 5.81 0.87 -1.47 -3.25 113.55 115.15 2e8m h SER 55 Ca -0.26 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.24 2e8m h SER 55 Cb 1.96 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.89 2e8m h SER 55 CO 0.19 0.75 -0.00 0.18 -0.53 0.00 0.00 176.83 177.42 2e8m n LEU 56 N -3.33 3.99 -1.15 2.23 4.77 0.89 -4.49 117.00 119.90 2e8m n LEU 56 Ca 0.01 -3.25 0.11 0.00 -0.03 0.00 0.00 56.01 52.85 2e8m n LEU 56 Cb 0.82 -0.58 0.24 0.00 -2.33 0.00 0.00 43.42 41.57 2e8m n LEU 56 CO 0.44 0.85 0.71 0.61 -1.33 0.00 0.00 177.39 178.66 2e8m n GLY 57 N -0.73 2.02 0.00 -0.72 0.00 -0.38 -4.23 105.19 101.15 2e8m n GLY 57 Ca 0.26 -0.71 0.01 0.00 0.00 0.00 0.00 46.02 45.58 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 1.42 0.00 -3.32 1.61 0.24 -1.26 -4.53 118.33 112.49 2e8m n VAL 58 Ca 0.20 -0.21 -0.38 0.00 -2.04 0.00 0.00 64.34 61.91 2e8m n VAL 58 Cb 0.58 0.65 -0.06 0.00 -1.47 0.00 0.00 33.84 33.55 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 -2.79 4.45 0.81 1.34 1.43 -1.26 -4.69 118.68 117.97 2e8m s LEU 59 Ca -0.00 1.10 -0.11 0.00 -1.03 0.00 0.00 54.13 54.08 2e8m s LEU 59 Cb 0.02 -2.79 0.08 0.00 0.03 0.00 0.00 46.19 43.52 2e8m s LEU 59 CO 0.12 0.21 1.09 0.54 0.23 0.00 0.00 176.35 178.54 2e8m s ASN 60 N -0.64 4.35 0.36 2.29 2.20 -1.26 -4.22 114.94 118.02 2e8m s ASN 60 Ca 0.28 1.42 0.12 0.00 -0.94 0.00 0.00 52.86 53.73 2e8m s ASN 60 Cb -0.18 -2.16 0.90 0.00 -2.00 0.00 0.00 41.25 37.82 2e8m s ASN 60 CO 0.16 -2.07 1.81 1.23 -2.94 0.00 0.00 177.10 175.29 2e8m h GLY 61 N -1.16 1.35 1.00 0.45 0.00 -1.69 -0.35 103.07 102.67 2e8m h GLY 61 Ca -0.47 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 46.56 2e8m h GLY 61 CO 0.57 -0.03 -0.24 0.00 0.00 0.00 0.00 176.54 176.84 2e8m h ALA 62 N 1.62 -0.68 0.00 3.60 0.00 -1.61 0.64 119.26 122.83 2e8m h ALA 62 Ca 0.53 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2e8m h ALA 62 Cb 1.04 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2e8m h ALA 62 CO -0.28 -0.88 -0.00 1.96 0.00 0.00 0.00 179.25 180.05 2e8m h GLN 63 N -0.69 -0.01 -0.90 0.00 1.08 -1.68 -2.50 115.11 110.41 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 0.01 0.58 1.25 -0.95 0.00 0.00 178.83 179.84 2e8m h LEU 64 N -0.02 0.84 -1.97 1.46 6.46 -1.05 0.13 115.31 121.15 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 0.02 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.80 2e8m h LEU 64 CO 0.00 0.50 -0.08 -0.26 -0.62 0.00 0.00 178.44 177.98 2e8m h PHE 65 N 0.93 0.00 0.00 1.25 -1.00 -0.44 -2.11 116.94 115.56 2e8m h PHE 65 Ca 0.41 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 61.01 2e8m h PHE 65 Cb 0.37 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.90 2e8m h PHE 65 CO -0.00 0.08 -0.87 1.03 -1.61 0.00 0.00 178.31 176.93 2e8m h SER 66 N 0.00 0.00 -2.84 2.17 0.87 -0.37 -3.44 113.55 109.93 2e8m h SER 66 Ca -0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.01 2e8m h SER 66 Cb 0.34 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2e8m h SER 66 CO 0.01 0.87 0.90 -0.76 -0.53 0.00 0.00 176.83 177.32 2e8m s LEU 67 N -6.78 4.30 0.00 2.23 1.43 -0.80 -5.02 118.68 114.06 2e8m s LEU 67 Ca 0.01 2.11 -0.00 0.00 -1.03 0.00 0.00 54.13 55.22 2e8m s LEU 67 Cb 0.10 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.78 2e8m s LEU 67 CO 0.80 -0.77 0.07 0.59 0.23 0.00 0.00 176.35 177.27 2e8m n ASN 68 N 5.85 0.08 0.31 2.29 3.02 -1.26 -4.73 115.26 120.81 2e8m n ASN 68 Ca 0.14 -1.07 0.18 0.00 -0.03 0.00 0.00 54.58 53.81 2e8m n ASN 68 Cb 0.43 -0.05 1.02 0.00 -0.61 0.00 0.00 39.78 40.58 2e8m n ASN 68 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2e8m h LYS 69 N 0.00 0.00 0.00 3.52 3.64 -1.95 -0.90 116.57 120.88 2e8m h LYS 69 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2e8m h LYS 69 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2e8m h LYS 69 CO 0.02 0.01 -0.20 0.22 -2.27 0.00 0.00 179.45 177.23 2e8m h ASP 70 N 0.00 0.00 -0.99 4.20 1.82 -1.95 -2.86 116.42 116.64 2e8m h ASP 70 Ca -0.00 0.00 0.18 0.00 -0.39 0.00 0.00 57.03 56.82 2e8m h ASP 70 Cb 0.07 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 39.97 2e8m h ASP 70 CO 0.00 0.58 0.60 -0.33 -1.61 0.00 0.00 179.24 178.48 2e8m h GLU 71 N -0.95 0.77 -0.19 0.28 4.39 -1.89 0.12 114.58 117.11 2e8m h GLU 71 Ca 0.00 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.51 2e8m h GLU 71 Cb 0.20 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2e8m h GLU 71 CO 0.00 0.51 -0.50 -0.07 -1.16 0.00 0.00 179.01 177.79 2e8m h LEU 72 N 0.80 0.55 -1.13 1.33 3.38 -1.33 -2.44 115.31 116.48 2e8m h LEU 72 Ca 0.56 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 58.19 2e8m h LEU 72 Cb 0.81 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2e8m h LEU 72 CO -0.36 0.96 -0.30 -0.09 0.09 0.00 0.00 178.44 178.74 2e8m h ARG 73 N 0.40 0.00 0.06 1.13 2.43 -0.62 -2.03 114.38 115.74 2e8m h ARG 73 Ca 0.02 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 2e8m h ARG 73 Cb 1.02 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.58 2e8m h ARG 73 CO 0.09 0.30 -0.54 1.79 -1.51 0.00 0.00 179.97 180.10 2e8m h THR 74 N 0.00 1.53 -0.12 0.20 1.35 -0.77 -3.31 112.91 111.80 2e8m h THR 74 Ca -0.00 -2.27 -0.08 0.00 -0.55 0.00 0.00 66.41 63.50 2e8m h THR 74 Cb 0.77 2.97 -0.01 0.00 -1.73 0.00 0.00 68.15 70.15 2e8m h THR 74 CO 0.04 0.64 -0.31 1.62 -0.25 0.00 0.00 175.52 177.26 2e8m h VAL 75 N -0.40 1.26 -3.17 6.82 3.04 -1.42 -3.45 116.25 118.94 2e8m h VAL 75 Ca -0.08 -1.24 -0.09 0.00 -1.01 0.00 0.00 66.70 64.27 2e8m h VAL 75 Cb 1.34 1.51 -0.17 0.00 -2.01 0.00 0.00 31.29 31.97 2e8m h VAL 75 CO 0.10 0.37 -0.20 0.00 -1.01 0.00 0.00 177.57 176.84 2e8m h PRO 77 N 3.21 0.00 -0.78 0.00 0.13 -1.82 -2.69 132.00 130.05 2e8m h PRO 77 Ca -0.31 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.69 2e8m h PRO 77 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 2e8m h PRO 77 CO 0.44 0.08 0.16 0.39 -0.23 0.00 0.00 178.00 178.84 2e8m n GLU 78 N -3.23 3.40 0.34 0.86 -0.58 -1.26 -4.55 120.64 115.63 2e8m n GLU 78 Ca 0.00 -2.42 -0.18 0.00 -0.42 0.00 0.00 57.16 54.15 2e8m n GLU 78 Cb 0.33 -2.04 -0.09 0.00 -0.57 0.00 0.00 31.44 29.07 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 3.45 -0.99 0.32 0.62 0.00 -1.55 0.64 103.07 105.57 2e8m h GLY 79 Ca 0.15 0.41 0.24 0.00 0.00 0.00 0.00 47.33 48.14 2e8m h GLY 79 CO 0.53 -0.35 0.60 0.00 0.00 0.00 0.00 176.54 177.32 2e8m h ALA 80 N -0.59 2.80 0.09 3.60 0.00 -1.80 0.32 119.26 123.67 2e8m h ALA 80 Ca -0.07 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.55 2e8m h ALA 80 Cb 0.74 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2e8m h ALA 80 CO 0.07 -1.03 -1.19 0.00 0.00 0.00 0.00 179.25 177.10 2e8m h ARG 81 N 0.00 0.20 -0.03 0.00 2.47 -1.72 -3.16 114.38 112.13 2e8m h ARG 81 Ca 0.40 -0.34 -0.06 0.00 -1.26 0.00 0.00 59.98 58.72 2e8m h ARG 81 Cb 1.60 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 30.05 2e8m h ARG 81 CO -0.00 1.16 -0.20 0.28 0.56 0.00 0.00 179.97 181.76 2e8m h VAL 82 N 0.05 1.49 -0.71 2.04 2.07 0.18 -3.25 116.25 118.12 2e8m h VAL 82 Ca -0.10 -1.72 0.09 0.00 0.82 0.00 0.00 66.70 65.79 2e8m h VAL 82 Cb 1.92 2.51 -0.07 0.00 -1.52 0.00 0.00 31.29 34.13 2e8m h VAL 82 CO 0.18 0.47 0.35 0.22 0.02 0.00 0.00 177.57 178.82 2e8m h TYR 83 N -0.40 0.63 -0.05 1.57 3.20 -0.87 0.17 116.97 121.22 2e8m h TYR 83 Ca -0.02 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.90 2e8m h TYR 83 Cb 0.88 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 2e8m h TYR 83 CO 0.15 0.22 0.09 0.77 -1.64 0.00 0.00 178.16 177.76 2e8m h SER 84 N 0.60 0.00 0.82 -2.11 0.02 -1.61 0.29 113.55 111.56 2e8m h SER 84 Ca 0.35 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.27 2e8m h SER 84 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2e8m h SER 84 CO -0.27 0.00 -1.20 0.00 -1.14 0.00 0.00 176.83 174.22 2e8m n GLN 85 N -3.54 0.61 0.02 3.45 1.13 0.47 -4.16 117.38 115.37 2e8m n GLN 85 Ca -0.02 0.10 -0.16 0.00 -1.94 0.00 0.00 57.00 54.99 2e8m n GLN 85 Cb 0.18 -1.79 -0.14 0.00 0.11 0.00 0.00 30.24 28.60 2e8m n GLN 85 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 2e8m h ILE 86 N 0.00 0.87 -0.99 5.09 2.04 0.31 -3.36 117.51 121.47 2e8m h ILE 86 Ca -0.03 -2.61 0.15 0.00 1.00 0.00 0.00 64.86 63.37 2e8m h ILE 86 Cb 1.12 2.57 -0.09 0.00 -0.74 0.00 0.00 36.82 39.67 2e8m h ILE 86 CO 0.01 0.75 0.62 0.00 0.00 0.00 0.00 178.15 179.53 2e8m h THR 87 N 0.05 0.82 0.00 -0.27 1.03 -0.72 0.26 112.91 114.07 2e8m h THR 87 Ca -0.32 -0.29 -0.04 0.00 -0.01 0.00 0.00 66.41 65.74 2e8m h THR 87 Cb 2.02 -0.11 -0.01 0.00 -1.07 0.00 0.00 68.15 68.98 2e8m h THR 87 CO 0.11 0.16 -0.21 1.62 -0.01 0.00 0.00 175.52 177.19 2e8m h VAL 88 N 0.86 0.80 0.02 0.00 3.04 -1.73 -1.92 116.25 117.31 2e8m h VAL 88 Ca 0.53 -0.82 -0.00 0.00 -1.01 0.00 0.00 66.70 65.40 2e8m h VAL 88 Cb 0.70 1.49 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 2e8m h VAL 88 CO -0.30 0.20 -0.01 1.56 -1.01 0.00 0.00 177.57 178.01 2e8m h GLN 89 N 0.00 -0.02 -0.50 4.17 1.08 -0.67 -3.17 115.11 115.99 2e8m h GLN 89 Ca -0.00 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2e8m h GLN 89 Cb 0.48 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 2e8m h GLN 89 CO 0.03 0.69 0.33 0.87 -0.95 0.00 0.00 178.83 179.79 2e8m h LYS 90 N -0.79 0.64 -0.32 1.46 1.57 -1.27 -1.50 116.57 116.36 2e8m h LYS 90 Ca -0.00 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.83 2e8m h LYS 90 Cb 0.72 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2e8m h LYS 90 CO 0.00 0.43 0.30 0.00 -0.57 0.00 0.00 179.45 179.61 2e8m h ALA 91 N 1.19 2.08 -0.02 3.86 0.00 -1.45 0.16 119.26 125.08 2e8m h ALA 91 Ca 0.19 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 2e8m h ALA 91 Cb -0.06 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2e8m h ALA 91 CO -0.05 -0.47 -0.81 0.00 0.00 0.00 0.00 179.25 177.92 2e8m h ALA 92 N 1.70 0.58 0.00 0.00 0.00 -1.24 -2.68 119.26 117.61 2e8m h ALA 92 Ca 0.15 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2e8m h ALA 92 Cb 0.75 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2e8m h ALA 92 CO -0.00 0.85 -0.16 -0.07 0.00 0.00 0.00 179.25 179.86 2e8m h LEU 93 N 0.15 0.00 0.11 0.00 3.38 -0.67 -3.41 115.31 114.87 2e8m h LEU 93 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2e8m h LEU 93 Cb 1.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 2e8m h LEU 93 CO 0.13 0.41 -0.15 0.28 0.09 0.00 0.00 178.44 179.19 2e8m h SER 94 N -0.66 -0.43 -5.00 -0.43 0.02 -0.99 -3.49 113.55 102.57 2e8m h SER 94 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2e8m h SER 94 Cb 0.16 0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2e8m h SER 94 CO 0.00 -0.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.11 2e8m n GLY 95 N -1.16 -1.23 3.66 -3.77 0.00 -1.01 -5.04 105.19 96.64 2e8m n GLY 95 Ca -0.03 -2.15 -0.29 0.00 0.00 0.00 0.00 46.02 43.55 2e8m n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e8m s PRO 96 N -0.14 -0.01 -0.15 1.61 0.04 -1.26 -4.96 135.00 130.13 2e8m s PRO 96 Ca 0.00 0.36 0.13 0.00 0.04 0.00 0.00 61.00 61.54 2e8m s PRO 96 Cb 0.00 -1.70 -0.19 0.00 0.04 0.00 0.00 34.50 32.65 2e8m s PRO 96 CO 0.00 -2.99 0.05 0.43 0.04 0.00 0.00 177.00 174.53 2e8m n SER 97 N -4.33 1.25 0.17 6.66 7.64 -1.26 -4.99 113.62 118.77 2e8m n SER 97 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 2e8m n SER 97 Cb 0.58 0.88 0.00 0.00 -1.01 0.00 0.00 64.21 64.66 2e8m n SER 97 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2e8m n SER 98 N -2.56 -3.11 0.00 6.43 2.88 -1.26 -5.34 113.62 110.66 2e8m n SER 98 Ca -0.25 0.76 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 2e8m n SER 98 Cb 0.99 3.01 0.00 0.00 -0.75 0.00 0.00 64.21 67.46 2e8m n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42