#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 2.54 -1.09 1.61 0.15 -1.26 -5.07 113.70 110.58 2e8m s SER 2 Ca 0.00 -1.79 -0.11 0.00 0.70 0.00 0.00 55.95 54.76 2e8m s SER 2 Cb 0.00 -0.09 0.25 0.00 -1.71 0.00 0.00 66.02 64.47 2e8m s SER 2 CO 0.00 -0.33 1.12 -0.94 1.20 0.00 0.00 173.24 174.30 2e8m s SER 3 N 1.43 7.20 0.00 5.45 1.04 -1.26 -4.88 113.70 122.68 2e8m s SER 3 Ca 0.16 -3.36 0.00 0.00 0.48 0.00 0.00 55.95 53.23 2e8m s SER 3 Cb -0.19 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.68 2e8m s SER 3 CO -0.09 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.33 2e8m n GLY 4 N 3.15 -0.76 5.27 7.32 0.00 -1.26 -4.77 105.19 114.13 2e8m n GLY 4 Ca 0.25 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2e8m n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2e8m n SER 5 N 0.00 0.00 -3.63 1.61 7.64 -1.26 -4.15 113.62 113.82 2e8m n SER 5 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 2e8m n SER 5 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 2e8m n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2e8m n SER 6 N 2.43 7.24 -1.14 6.43 3.41 -1.26 -4.95 113.62 125.78 2e8m n SER 6 Ca 0.00 -3.68 0.00 0.00 -0.26 0.00 0.00 58.87 54.93 2e8m n SER 6 Cb 0.00 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 62.80 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 -0.01 -4.38 3.68 5.00 0.00 -1.26 -4.81 105.19 103.41 2e8m n GLY 7 Ca 0.46 -0.64 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 2e8m n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2e8m n THR 8 N 0.16 0.47 -3.81 2.61 -1.04 -1.26 -4.71 114.28 106.70 2e8m n THR 8 Ca 0.00 -0.09 -0.36 0.00 -2.04 0.00 0.00 64.05 61.57 2e8m n THR 8 Cb 0.00 -2.03 -0.12 0.00 -1.82 0.00 0.00 70.33 66.36 2e8m n THR 8 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2e8m s ILE 9 N 3.28 3.23 0.00 12.58 1.09 -1.26 -4.82 121.20 135.30 2e8m s ILE 9 Ca 0.86 -1.80 0.00 0.00 -1.10 0.00 0.00 60.65 58.61 2e8m s ILE 9 Cb -0.55 -3.09 0.00 0.00 -1.06 0.00 0.00 42.46 37.76 2e8m s ILE 9 CO 0.42 -0.49 0.00 0.61 -0.10 0.00 0.00 174.94 175.39 2e8m n GLY 10 N 4.62 0.00 3.54 6.18 0.00 -1.26 -5.05 105.19 113.22 2e8m n GLY 10 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 2e8m n GLY 10 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2e8m s ARG 11 N 0.00 3.77 0.22 1.61 6.06 -1.26 -5.10 118.95 124.25 2e8m s ARG 11 Ca 0.00 -0.46 -0.06 0.00 -2.50 0.00 0.00 55.73 52.72 2e8m s ARG 11 Cb 0.00 -3.05 -0.06 0.00 0.06 0.00 0.00 34.95 31.90 2e8m s ARG 11 CO 0.00 0.22 0.48 -1.54 -2.50 0.00 0.00 175.30 171.96 2e8m s SER 12 N 0.47 6.51 0.08 -2.12 1.04 -1.26 -5.11 113.70 113.31 2e8m s SER 12 Ca -0.01 0.71 0.01 0.00 0.48 0.00 0.00 55.95 57.14 2e8m s SER 12 Cb -0.14 -2.14 -0.04 0.00 0.10 0.00 0.00 66.02 63.80 2e8m s SER 12 CO 0.02 -0.07 -0.06 0.00 0.98 0.00 0.00 173.24 174.11 2e8m s ALA 13 N -1.85 0.82 -0.28 5.32 0.00 -1.26 -5.14 121.76 119.37 2e8m s ALA 13 Ca 0.44 -1.26 -0.10 0.00 0.00 0.00 0.00 51.96 51.04 2e8m s ALA 13 Cb -0.11 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2e8m s ALA 13 CO 0.26 -0.25 0.16 0.00 0.00 0.00 0.00 175.76 175.92 2e8m s ALA 14 N -3.47 3.41 -0.21 0.00 0.00 -1.26 -5.07 121.76 115.16 2e8m s ALA 14 Ca 0.08 -1.13 -0.17 0.00 0.00 0.00 0.00 51.96 50.74 2e8m s ALA 14 Cb 0.04 -2.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 2e8m s ALA 14 CO -0.05 -0.57 0.45 -1.14 0.00 0.00 0.00 175.76 174.45 2e8m s GLN 15 N 1.71 4.15 -0.25 0.00 2.00 -1.26 -4.95 119.66 121.06 2e8m s GLN 15 Ca 0.07 0.28 0.15 0.00 -2.00 0.00 0.00 55.36 53.86 2e8m s GLN 15 Cb -0.16 -3.57 0.47 0.00 0.80 0.00 0.00 33.01 30.56 2e8m s GLN 15 CO 0.09 -0.13 1.16 1.17 -0.50 0.00 0.00 175.29 177.07 2e8m n LYS 16 N 4.78 2.41 -0.08 1.67 4.81 -1.26 -4.75 118.16 125.74 2e8m n LYS 16 Ca -0.06 -3.66 -0.07 0.00 -0.87 0.00 0.00 58.31 53.64 2e8m n LYS 16 Cb 0.51 -1.78 -0.14 0.00 0.02 0.00 0.00 35.03 33.64 2e8m n LYS 16 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2e8m n LYS 17 N -0.61 1.12 -2.36 1.64 5.02 -1.26 -4.87 118.16 116.85 2e8m n LYS 17 Ca 0.24 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 56.09 2e8m n LYS 17 Cb 0.89 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 34.43 2e8m n LYS 17 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2e8m s PHE 18 N -2.47 3.06 -0.56 2.13 5.36 -1.26 -3.99 117.98 120.25 2e8m s PHE 18 Ca -0.08 1.05 -0.06 0.00 -0.96 0.00 0.00 56.93 56.88 2e8m s PHE 18 Cb 0.06 -3.52 0.01 0.00 -0.34 0.00 0.00 43.02 39.22 2e8m s PHE 18 CO 0.72 -1.79 0.60 1.58 -1.46 0.00 0.00 175.22 174.86 2e8m n HIS 19 N 5.21 -2.88 -4.32 10.12 -0.00 -1.26 -5.05 115.22 117.05 2e8m n HIS 19 Ca 0.12 1.13 -0.26 0.00 0.46 0.00 0.00 57.72 59.16 2e8m n HIS 19 Cb 0.45 -3.86 -0.09 0.00 -0.12 0.00 0.00 29.99 26.37 2e8m n HIS 19 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 2e8m s VAL 20 N -2.78 3.12 0.53 3.57 -7.23 -1.26 -5.12 120.40 111.23 2e8m s VAL 20 Ca 0.09 -1.79 -0.20 0.00 -1.81 0.00 0.00 61.98 58.27 2e8m s VAL 20 Cb -0.03 -2.57 -0.06 0.00 0.56 0.00 0.00 36.38 34.28 2e8m s VAL 20 CO 0.68 -0.18 1.14 -2.16 -0.31 0.00 0.00 175.10 174.27 2e8m s PRO 21 N -3.02 3.44 -0.19 4.82 0.04 -1.26 -5.00 135.00 133.82 2e8m s PRO 21 Ca 0.26 1.64 -0.23 0.00 0.04 0.00 0.00 61.00 62.71 2e8m s PRO 21 Cb -0.08 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 2e8m s PRO 21 CO 0.16 -0.78 0.74 1.03 0.04 0.00 0.00 177.00 178.19 2e8m s ARG 22 N -3.17 4.24 -0.12 4.56 0.52 -1.26 -5.04 118.95 118.68 2e8m s ARG 22 Ca 0.71 0.83 -0.18 0.00 -0.52 0.00 0.00 55.73 56.57 2e8m s ARG 22 Cb -0.25 -3.59 -0.04 0.00 0.52 0.00 0.00 34.95 31.60 2e8m s ARG 22 CO 0.28 -0.32 0.48 -0.65 0.02 0.00 0.00 175.30 175.12 2e8m s GLN 23 N 2.15 4.33 -0.44 3.54 -0.21 -1.26 -4.98 119.66 122.79 2e8m s GLN 23 Ca 0.34 0.45 0.05 0.00 0.02 0.00 0.00 55.36 56.21 2e8m s GLN 23 Cb -0.16 -3.44 0.43 0.00 1.00 0.00 0.00 33.01 30.83 2e8m s GLN 23 CO 0.11 0.14 1.27 0.09 -2.12 0.00 0.00 175.29 174.77 2e8m n ASN 24 N 3.75 5.19 -4.83 5.90 4.13 -1.26 -5.06 115.26 123.08 2e8m n ASN 24 Ca -0.07 -3.74 -0.33 0.00 1.68 0.00 0.00 54.58 52.12 2e8m n ASN 24 Cb 0.52 -0.50 -0.05 0.00 -1.54 0.00 0.00 39.78 38.20 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 -5.16 4.42 0.87 2.41 -7.23 -1.26 -5.05 120.40 109.40 2e8m s VAL 25 Ca 0.50 1.36 -0.11 0.00 -1.81 0.00 0.00 61.98 61.92 2e8m s VAL 25 Cb 0.41 -3.64 0.11 0.00 0.56 0.00 0.00 36.38 33.82 2e8m s VAL 25 CO -0.13 -0.47 1.09 -2.16 -0.31 0.00 0.00 175.10 173.12 2e8m s PRO 26 N -3.56 1.48 -0.10 4.82 0.04 -1.26 -4.94 135.00 131.47 2e8m s PRO 26 Ca 0.61 0.90 -0.29 0.00 0.04 0.00 0.00 61.00 62.25 2e8m s PRO 26 Cb -0.10 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 2e8m s PRO 26 CO 0.21 -2.11 1.62 0.08 0.04 0.00 0.00 177.00 176.85 2e8m s VAL 27 N -2.93 3.66 0.12 -0.36 1.01 -1.26 -4.99 120.40 115.65 2e8m s VAL 27 Ca 0.63 0.78 -0.18 0.00 0.00 0.00 0.00 61.98 63.21 2e8m s VAL 27 Cb -0.18 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 2e8m s VAL 27 CO 0.57 -0.11 0.59 -0.63 0.00 0.00 0.00 175.10 175.52 2e8m s ILE 28 N 4.28 4.74 0.06 2.22 -1.09 -1.26 -5.08 121.20 125.07 2e8m s ILE 28 Ca 0.72 1.11 -0.19 0.00 -2.23 0.00 0.00 60.65 60.07 2e8m s ILE 28 Cb -0.31 -3.85 0.04 0.00 -1.58 0.00 0.00 42.46 36.77 2e8m s ILE 28 CO 0.28 0.40 0.43 0.20 -1.23 0.00 0.00 174.94 175.02 2e8m s ASN 29 N -1.39 -0.30 0.16 3.58 0.01 -1.26 -4.98 114.94 110.75 2e8m s ASN 29 Ca 0.34 -0.01 0.06 0.00 -0.71 0.00 0.00 52.86 52.54 2e8m s ASN 29 Cb -0.18 0.44 -0.04 0.00 0.41 0.00 0.00 41.25 41.88 2e8m s ASN 29 CO 0.20 -0.70 -0.13 0.27 -1.51 0.00 0.00 177.10 175.23 2e8m s ILE 30 N -2.64 1.41 0.39 0.60 -4.36 -1.26 -4.98 121.20 110.35 2e8m s ILE 30 Ca -0.04 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.40 2e8m s ILE 30 Cb -0.00 -1.81 -0.02 0.00 1.25 0.00 0.00 42.46 41.87 2e8m s ILE 30 CO -0.04 -0.59 0.19 0.42 0.24 0.00 0.00 174.94 175.16 2e8m s THR 31 N -2.82 0.35 0.04 8.37 -4.23 -1.26 -4.89 115.64 111.21 2e8m s THR 31 Ca 0.16 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 58.99 2e8m s THR 31 Cb -0.01 -2.37 0.33 0.00 1.34 0.00 0.00 72.50 71.80 2e8m s THR 31 CO 0.03 0.00 1.95 1.88 -0.54 0.00 0.00 174.62 177.94 2e8m h TYR 32 N 1.88 0.00 -0.83 3.99 0.05 -1.95 -2.49 116.97 117.63 2e8m h TYR 32 Ca -0.31 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 57.90 2e8m h TYR 32 Cb 1.26 0.00 -0.41 0.00 1.01 0.00 0.00 36.73 38.59 2e8m h TYR 32 CO 1.66 0.00 -0.56 -0.25 -1.05 0.00 0.00 178.16 177.96 2e8m n ASP 33 N -2.70 5.34 -5.00 3.88 8.00 -1.26 -3.19 116.55 121.62 2e8m n ASP 33 Ca -0.00 -3.76 -0.18 0.00 0.71 0.00 0.00 54.79 51.56 2e8m n ASP 33 Cb 0.17 -0.44 0.01 0.00 -0.02 0.00 0.00 41.12 40.84 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 -3.33 5.67 0.24 -2.24 0.01 -0.94 -4.99 113.70 108.13 2e8m s SER 34 Ca 0.53 -0.27 -0.01 0.00 1.31 0.00 0.00 55.95 57.50 2e8m s SER 34 Cb 0.42 -0.85 -0.04 0.00 0.21 0.00 0.00 66.02 65.76 2e8m s SER 34 CO 0.02 -0.75 0.45 0.42 0.41 0.00 0.00 173.24 173.79 2e8m s THR 35 N -2.39 5.15 -1.20 1.44 -4.23 -1.26 -3.05 115.64 110.11 2e8m s THR 35 Ca 0.53 -0.30 0.14 0.00 -1.18 0.00 0.00 61.69 60.88 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 -0.26 1.43 -0.81 -0.54 0.00 0.00 174.62 174.78 2e8m n PRO 36 N -0.89 0.10 -0.01 3.99 -0.04 -1.26 -2.26 135.00 134.63 2e8m n PRO 36 Ca -0.04 0.20 0.01 0.00 -0.04 0.00 0.00 63.50 63.63 2e8m n PRO 36 Cb 0.54 -1.50 -0.12 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 0.65 0.07 0.54 1.02 -1.26 -4.09 120.64 116.16 2e8m n GLU 37 Ca 0.05 0.06 -0.05 0.00 -0.02 0.00 0.00 57.16 57.21 2e8m n GLU 37 Cb 0.14 -1.67 -0.08 0.00 -0.02 0.00 0.00 31.44 29.81 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 0.00 -0.10 1.62 5.19 -1.83 -3.29 116.42 118.01 2e8m h ASP 38 Ca -0.21 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.10 2e8m h ASP 38 Cb 1.58 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.08 2e8m h ASP 38 CO 0.03 0.86 -0.25 0.58 -3.12 0.00 0.00 179.24 177.34 2e8m h VAL 39 N 0.00 1.27 -0.84 -1.35 2.07 -1.69 -2.49 116.25 113.21 2e8m h VAL 39 Ca -0.04 -1.29 0.06 0.00 0.82 0.00 0.00 66.70 66.25 2e8m h VAL 39 Cb 1.69 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 32.73 2e8m h VAL 39 CO 0.11 0.41 0.52 0.50 0.02 0.00 0.00 177.57 179.13 2e8m h LYS 40 N 0.48 0.92 0.00 1.57 3.64 -1.71 -1.39 116.57 120.08 2e8m h LYS 40 Ca 0.07 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 2e8m h LYS 40 Cb 0.69 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2e8m h LYS 40 CO 0.05 0.61 -0.71 1.15 -2.27 0.00 0.00 179.45 178.28 2e8m h THR 41 N 0.95 1.45 -0.29 1.00 2.02 -1.66 -2.91 112.91 113.47 2e8m h THR 41 Ca 0.37 -2.49 -0.08 0.00 0.77 0.00 0.00 66.41 64.98 2e8m h THR 41 Cb 0.17 2.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 2e8m h THR 41 CO -0.17 0.70 -0.15 -0.25 0.37 0.00 0.00 175.52 176.02 2e8m h TRP 42 N 0.00 0.55 -0.01 3.16 7.01 -0.83 -1.03 115.95 124.80 2e8m h TRP 42 Ca -0.01 -0.09 -0.20 0.00 2.11 0.00 0.00 58.89 60.70 2e8m h TRP 42 Cb 1.31 -0.15 0.02 0.00 -2.10 0.00 0.00 29.16 28.24 2e8m h TRP 42 CO 0.00 0.64 -0.76 -0.07 -2.79 0.00 0.00 178.44 175.45 2e8m h LEU 43 N 0.47 0.70 -0.32 0.65 3.38 -1.30 -3.16 115.31 115.72 2e8m h LEU 43 Ca 0.08 -0.74 -0.02 0.00 0.09 0.00 0.00 57.88 57.30 2e8m h LEU 43 Cb 0.53 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2e8m h LEU 43 CO 0.03 1.34 0.12 1.56 0.09 0.00 0.00 178.44 181.59 2e8m h GLN 44 N 0.12 0.49 -0.44 1.13 1.08 -1.39 -1.97 115.11 114.13 2e8m h GLN 44 Ca -0.09 -0.09 0.09 0.00 -1.45 0.00 0.00 58.65 57.10 2e8m h GLN 44 Cb 1.45 -0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 28.72 2e8m h GLN 44 CO 0.15 0.49 -0.05 1.03 -0.95 0.00 0.00 178.83 179.50 2e8m h SER 45 N 0.37 -0.30 -0.13 1.46 0.87 -1.27 0.12 113.55 114.67 2e8m h SER 45 Ca 0.11 0.12 0.04 0.00 -1.23 0.00 0.00 61.79 60.82 2e8m h SER 45 Cb 0.19 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2e8m h SER 45 CO -0.01 -0.10 0.09 0.11 -0.53 0.00 0.00 176.83 176.39 2e8m h LYS 46 N 0.05 0.00 0.00 2.24 1.79 -1.49 -3.46 116.57 115.71 2e8m h LYS 46 Ca 0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 2e8m h LYS 46 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2e8m h LYS 46 CO -0.41 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.37 2e8m n GLY 47 N -1.56 1.77 3.79 3.86 0.00 0.42 -5.10 105.19 108.36 2e8m n GLY 47 Ca 0.00 0.00 -0.36 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 3.64 0.80 1.61 0.08 -0.76 -5.02 117.98 116.33 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 -2.89 -0.01 0.00 -0.57 0.00 0.00 43.02 39.56 2e8m s PHE 48 CO 0.00 0.18 0.54 0.27 -0.10 0.00 0.00 175.22 176.12 2e8m n ASN 49 N 0.43 -1.28 0.20 1.36 6.94 -1.26 -4.63 115.26 117.02 2e8m n ASN 49 Ca 0.02 0.51 0.06 0.00 -0.02 0.00 0.00 54.58 55.16 2e8m n ASN 49 Cb 0.51 -1.24 0.41 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 -0.75 0.00 0.00 -0.53 0.13 -1.99 -2.80 132.00 126.06 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 0.40 0.33 -0.04 0.28 -0.23 0.00 0.00 178.00 178.74 2e8m h VAL 51 N 0.00 0.34 0.06 1.56 2.07 -2.00 -1.54 116.25 116.74 2e8m h VAL 51 Ca -0.00 -0.23 -0.35 0.00 0.82 0.00 0.00 66.70 66.94 2e8m h VAL 51 Cb 0.74 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 2e8m h VAL 51 CO 0.04 0.04 -1.97 0.41 0.02 0.00 0.00 177.57 176.12 2e8m n THR 52 N -3.48 1.64 0.30 2.57 -1.04 -1.07 -3.61 114.28 109.59 2e8m n THR 52 Ca -0.02 -0.45 0.18 0.00 -2.04 0.00 0.00 64.05 61.72 2e8m n THR 52 Cb 0.15 -1.77 0.97 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 -0.33 0.24 0.23 12.58 2.07 -1.36 0.23 116.25 129.91 2e8m h VAL 53 Ca -0.47 -0.20 -0.34 0.00 0.82 0.00 0.00 66.70 66.51 2e8m h VAL 53 Cb 1.78 1.15 0.03 0.00 -1.52 0.00 0.00 31.29 32.73 2e8m h VAL 53 CO -0.08 0.03 -1.59 0.78 0.02 0.00 0.00 177.57 176.73 2e8m h ASN 54 N 0.00 0.75 0.03 0.57 2.35 -1.44 -2.08 115.58 115.76 2e8m h ASN 54 Ca -0.00 -0.93 -0.15 0.00 -0.55 0.00 0.00 56.30 54.67 2e8m h ASN 54 Cb 0.15 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.29 2e8m h ASN 54 CO 0.00 1.74 -0.60 -1.28 -1.65 0.00 0.00 177.43 175.65 2e8m h SER 55 N 0.12 0.47 -0.42 5.81 0.87 -1.48 -3.25 113.55 115.67 2e8m h SER 55 Ca -0.29 -0.81 -0.01 0.00 -1.23 0.00 0.00 61.79 59.44 2e8m h SER 55 Cb 2.13 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.94 2e8m h SER 55 CO 0.23 1.23 0.01 0.18 -0.53 0.00 0.00 176.83 177.96 2e8m n LEU 56 N -4.24 4.45 -1.31 2.23 4.77 0.77 -4.08 117.00 119.60 2e8m n LEU 56 Ca -0.11 -2.26 0.12 0.00 -0.03 0.00 0.00 56.01 53.72 2e8m n LEU 56 Cb 0.68 -0.64 0.31 0.00 -2.33 0.00 0.00 43.42 41.44 2e8m n LEU 56 CO 0.46 0.53 0.76 0.61 -1.33 0.00 0.00 177.39 178.42 2e8m n GLY 57 N 0.42 2.29 0.00 -0.72 0.00 -0.78 -4.14 105.19 102.26 2e8m n GLY 57 Ca 0.21 -0.78 0.01 0.00 0.00 0.00 0.00 46.02 45.46 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 1.60 0.00 -3.41 1.61 0.24 -1.26 -4.56 118.33 112.54 2e8m n VAL 58 Ca 0.24 -0.22 -0.38 0.00 -2.04 0.00 0.00 64.34 61.94 2e8m n VAL 58 Cb 0.61 0.67 -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 -2.76 4.45 0.83 1.34 1.43 -1.26 -4.73 118.68 117.98 2e8m s LEU 59 Ca -0.00 1.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.98 2e8m s LEU 59 Cb 0.02 -2.68 0.09 0.00 0.03 0.00 0.00 46.19 43.65 2e8m s LEU 59 CO 0.12 0.25 1.09 0.54 0.23 0.00 0.00 176.35 178.58 2e8m s ASN 60 N -0.73 4.16 0.35 2.29 2.20 -1.26 -4.21 114.94 117.74 2e8m s ASN 60 Ca 0.25 1.40 0.11 0.00 -0.94 0.00 0.00 52.86 53.69 2e8m s ASN 60 Cb -0.17 -2.12 0.90 0.00 -2.00 0.00 0.00 41.25 37.86 2e8m s ASN 60 CO 0.14 -2.19 1.81 1.23 -2.94 0.00 0.00 177.10 175.14 2e8m h GLY 61 N -1.24 1.39 1.00 0.45 0.00 -1.68 -0.36 103.07 102.64 2e8m h GLY 61 Ca -0.48 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 2e8m h GLY 61 CO 0.57 -0.04 -0.28 0.00 0.00 0.00 0.00 176.54 176.79 2e8m h ALA 62 N 1.63 -0.78 -0.04 3.60 0.00 -1.61 0.54 119.26 122.60 2e8m h ALA 62 Ca 0.54 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.28 2e8m h ALA 62 Cb 1.05 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2e8m h ALA 62 CO -0.29 -0.94 0.01 1.96 0.00 0.00 0.00 179.25 179.99 2e8m h GLN 63 N -0.80 0.03 -0.87 0.00 1.08 -1.68 -2.35 115.11 110.52 2e8m h GLN 63 Ca -0.08 -0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.21 2e8m h GLN 63 Cb 0.61 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.97 2e8m h GLN 63 CO 0.13 0.02 0.56 1.25 -0.95 0.00 0.00 178.83 179.84 2e8m h LEU 64 N 0.03 0.79 -1.85 1.46 6.46 -1.05 0.13 115.31 121.28 2e8m h LEU 64 Ca 0.02 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 2e8m h LEU 64 Cb 0.02 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.79 2e8m h LEU 64 CO -0.03 0.48 -0.08 -0.26 -0.62 0.00 0.00 178.44 177.94 2e8m h PHE 65 N 0.88 0.00 0.00 1.25 -1.00 -0.37 -2.26 116.94 115.43 2e8m h PHE 65 Ca 0.40 0.00 -0.17 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 -0.92 1.03 -1.61 0.00 0.00 178.31 176.89 2e8m h SER 66 N 0.00 0.00 -2.80 2.17 0.87 -0.31 -3.45 113.55 110.04 2e8m h SER 66 Ca -0.00 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.02 2e8m h SER 66 Cb 0.39 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.36 2e8m h SER 66 CO 0.01 0.75 0.92 -0.76 -0.53 0.00 0.00 176.83 177.21 2e8m s LEU 67 N -6.43 4.34 0.00 2.23 1.43 -0.85 -5.01 118.68 114.38 2e8m s LEU 67 Ca 0.01 2.28 -0.01 0.00 -1.03 0.00 0.00 54.13 55.39 2e8m s LEU 67 Cb 0.09 -3.56 0.06 0.00 0.03 0.00 0.00 46.19 42.81 2e8m s LEU 67 CO 0.79 -0.80 0.42 0.59 0.23 0.00 0.00 176.35 177.58 2e8m n ASN 68 N 5.54 0.52 0.32 2.29 3.02 -1.26 -4.77 115.26 120.92 2e8m n ASN 68 Ca 0.14 -1.45 0.20 0.00 -0.03 0.00 0.00 54.58 53.45 2e8m n ASN 68 Cb 0.42 -0.28 1.11 0.00 -0.61 0.00 0.00 39.78 40.42 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 -1.04 116.57 120.74 2e8m h LYS 69 Ca -0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2e8m h LYS 69 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2e8m h LYS 69 CO 0.15 0.01 -0.15 0.22 -2.27 0.00 0.00 179.45 177.40 2e8m h ASP 70 N 0.00 0.00 -0.87 4.20 3.58 -1.95 -2.83 116.42 118.56 2e8m h ASP 70 Ca -0.00 0.00 0.15 0.00 0.42 0.00 0.00 57.03 57.60 2e8m h ASP 70 Cb 0.04 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 40.99 2e8m h ASP 70 CO 0.00 0.52 0.45 -0.33 -2.88 0.00 0.00 179.24 177.00 2e8m h GLU 71 N -0.89 0.62 -0.06 0.28 4.39 -1.89 0.16 114.58 117.18 2e8m h GLU 71 Ca 0.00 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.56 2e8m h GLU 71 Cb 0.15 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2e8m h GLU 71 CO 0.00 0.41 -0.45 -0.07 -1.16 0.00 0.00 179.01 177.73 2e8m h LEU 72 N 0.63 0.15 -0.85 1.33 3.38 -1.36 -2.30 115.31 116.31 2e8m h LEU 72 Ca 0.48 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.34 2e8m h LEU 72 Cb 0.68 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2e8m h LEU 72 CO -0.37 0.59 -0.17 -0.09 0.09 0.00 0.00 178.44 178.50 2e8m h ARG 73 N 0.12 0.00 0.05 1.13 2.43 -0.49 -2.46 114.38 115.16 2e8m h ARG 73 Ca 0.01 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 2e8m h ARG 73 Cb 0.85 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2e8m h ARG 73 CO 0.07 0.17 -0.57 1.79 -1.51 0.00 0.00 179.97 179.91 2e8m h THR 74 N 0.00 1.50 -0.42 0.20 1.35 -0.71 -3.35 112.91 111.47 2e8m h THR 74 Ca -0.00 -2.38 -0.05 0.00 -0.55 0.00 0.00 66.41 63.44 2e8m h THR 74 Cb 0.82 3.08 -0.02 0.00 -1.73 0.00 0.00 68.15 70.30 2e8m h THR 74 CO 0.02 0.60 0.07 1.62 -0.25 0.00 0.00 175.52 177.58 2e8m h VAL 75 N -0.76 1.20 -3.49 6.82 3.04 -1.47 -3.45 116.25 118.15 2e8m h VAL 75 Ca -0.13 -0.77 -0.11 0.00 -1.01 0.00 0.00 66.70 64.69 2e8m h VAL 75 Cb 1.30 0.81 -0.17 0.00 -2.01 0.00 0.00 31.29 31.22 2e8m h VAL 75 CO 0.01 0.27 -0.36 0.00 -1.01 0.00 0.00 177.57 176.48 2e8m h PRO 77 N 3.45 0.00 -0.84 0.00 0.13 -1.82 -2.74 132.00 130.18 2e8m h PRO 77 Ca -0.32 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.61 2e8m h PRO 77 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 2e8m h PRO 77 CO 0.47 0.09 0.26 0.39 -0.23 0.00 0.00 178.00 178.98 2e8m n GLU 78 N -3.25 3.00 0.33 0.86 -0.58 -1.26 -4.57 120.64 115.16 2e8m n GLU 78 Ca 0.00 -2.40 -0.18 0.00 -0.42 0.00 0.00 57.16 54.17 2e8m n GLU 78 Cb 0.33 -2.01 -0.09 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 2.94 -1.11 0.52 0.62 0.00 -1.52 0.76 103.07 105.28 2e8m h GLY 79 Ca 0.25 0.49 0.21 0.00 0.00 0.00 0.00 47.33 48.27 2e8m h GLY 79 CO 0.63 -0.37 0.54 0.00 0.00 0.00 0.00 176.54 177.34 2e8m h ALA 80 N -0.73 2.63 0.07 3.60 0.00 -1.81 0.33 119.26 123.35 2e8m h ALA 80 Ca -0.07 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.57 2e8m h ALA 80 Cb 0.82 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2e8m h ALA 80 CO 0.02 -0.91 -1.11 0.00 0.00 0.00 0.00 179.25 177.25 2e8m h ARG 81 N 0.00 0.17 0.00 0.00 2.47 -1.69 -3.11 114.38 112.22 2e8m h ARG 81 Ca 0.34 -0.28 -0.02 0.00 -1.26 0.00 0.00 59.98 58.76 2e8m h ARG 81 Cb 1.42 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.84 2e8m h ARG 81 CO -0.00 1.11 -0.06 0.28 0.56 0.00 0.00 179.97 181.86 2e8m h VAL 82 N 0.06 1.64 -0.85 2.04 2.07 0.19 -3.26 116.25 118.13 2e8m h VAL 82 Ca -0.08 -1.97 0.12 0.00 0.82 0.00 0.00 66.70 65.60 2e8m h VAL 82 Cb 1.84 2.96 -0.08 0.00 -1.52 0.00 0.00 31.29 34.49 2e8m h VAL 82 CO 0.17 0.52 0.47 0.22 0.02 0.00 0.00 177.57 178.97 2e8m h TYR 83 N -0.76 0.84 0.00 1.57 3.20 -0.81 0.27 116.97 121.27 2e8m h TYR 83 Ca -0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 2e8m h TYR 83 Cb 0.88 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.90 2e8m h TYR 83 CO 0.21 0.28 -0.01 0.77 -1.64 0.00 0.00 178.16 177.77 2e8m h SER 84 N 0.73 0.00 0.86 -2.11 0.02 -1.63 0.17 113.55 111.58 2e8m h SER 84 Ca 0.44 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.31 2e8m h SER 84 Cb 0.52 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 2e8m h SER 84 CO -0.31 0.01 -1.20 1.56 -1.14 0.00 0.00 176.83 175.75 2e8m h GLN 85 N 0.00 0.00 0.00 3.45 1.08 -0.56 -3.36 115.11 115.73 2e8m h GLN 85 Ca -0.00 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.95 2e8m h GLN 85 Cb 0.04 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.43 2e8m h GLN 85 CO 0.00 0.14 -1.47 0.82 -0.95 0.00 0.00 178.83 177.38 2e8m h ILE 86 N 0.00 1.02 -0.47 2.54 2.04 0.03 -3.34 117.51 119.32 2e8m h ILE 86 Ca -0.08 -2.78 0.07 0.00 1.00 0.00 0.00 64.86 63.06 2e8m h ILE 86 Cb 1.29 2.48 -0.03 0.00 -0.74 0.00 0.00 36.82 39.82 2e8m h ILE 86 CO 0.02 0.58 0.32 0.00 0.00 0.00 0.00 178.15 179.07 2e8m h THR 87 N 0.00 0.95 0.00 -0.27 1.03 -0.89 0.53 112.91 114.26 2e8m h THR 87 Ca -0.20 -0.12 -0.06 0.00 -0.01 0.00 0.00 66.41 66.02 2e8m h THR 87 Cb 1.89 0.55 -0.01 0.00 -1.07 0.00 0.00 68.15 69.52 2e8m h THR 87 CO 0.09 0.07 -0.27 1.62 -0.01 0.00 0.00 175.52 177.02 2e8m h VAL 88 N 0.36 0.55 -0.01 0.00 3.04 -1.73 -2.57 116.25 115.89 2e8m h VAL 88 Ca 0.21 -1.39 -0.10 0.00 -1.01 0.00 0.00 66.70 64.41 2e8m h VAL 88 Cb 0.37 1.97 0.01 0.00 -2.01 0.00 0.00 31.29 31.63 2e8m h VAL 88 CO -0.05 0.26 -0.37 1.56 -1.01 0.00 0.00 177.57 177.96 2e8m h GLN 89 N 0.00 0.26 -0.51 4.17 1.08 -1.06 -3.13 115.11 115.93 2e8m h GLN 89 Ca -0.00 -0.27 -0.08 0.00 -1.45 0.00 0.00 58.65 56.84 2e8m h GLN 89 Cb 0.95 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.44 2e8m h GLN 89 CO 0.03 0.98 0.00 0.87 -0.95 0.00 0.00 178.83 179.77 2e8m h LYS 90 N -0.35 0.90 -0.07 1.46 1.57 -1.45 -2.53 116.57 116.10 2e8m h LYS 90 Ca -0.04 -0.28 0.02 0.00 -1.87 0.00 0.00 60.65 58.47 2e8m h LYS 90 Cb 1.10 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 2e8m h LYS 90 CO 0.07 0.92 0.08 0.00 -0.57 0.00 0.00 179.45 179.95 2e8m h ALA 91 N 0.94 1.64 -0.05 3.86 0.00 -1.55 0.59 119.26 124.69 2e8m h ALA 91 Ca 0.14 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 2e8m h ALA 91 Cb 0.52 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.32 2e8m h ALA 91 CO 0.03 -0.11 -0.59 0.00 0.00 0.00 0.00 179.25 178.57 2e8m h ALA 92 N 1.91 0.14 0.25 0.00 0.00 -1.39 -3.37 119.26 116.80 2e8m h ALA 92 Ca 0.03 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2e8m h ALA 92 Cb 0.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2e8m h ALA 92 CO -0.00 0.39 -0.12 -0.07 0.00 0.00 0.00 179.25 179.45 2e8m h LEU 93 N 0.04 -0.29-10.03 0.00 3.38 -1.22 -3.46 115.31 103.73 2e8m h LEU 93 Ca -0.06 -0.07 -0.53 0.00 0.09 0.00 0.00 57.88 57.31 2e8m h LEU 93 Cb 1.27 0.07 0.21 0.00 0.09 0.00 0.00 40.66 42.30 2e8m h LEU 93 CO 0.12 0.19 -0.16 -1.20 0.09 0.00 0.00 178.44 177.49 2e8m n SER 94 N -5.00 -0.80 -3.08 -0.43 7.64 0.12 -4.98 113.62 107.09 2e8m n SER 94 Ca -0.05 0.38 -0.13 0.00 1.01 0.00 0.00 58.87 60.09 2e8m n SER 94 Cb 0.17 -1.35 0.12 0.00 -1.01 0.00 0.00 64.21 62.15 2e8m n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e8m n GLY 95 N 0.87 -3.73 0.46 0.23 0.00 -1.26 -4.84 105.19 96.92 2e8m n GLY 95 Ca 0.10 -1.27 -0.04 0.00 0.00 0.00 0.00 46.02 44.80 2e8m n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2e8m n PRO 96 N -3.54 -1.30 -3.98 1.61 -0.04 -1.26 -4.93 135.00 121.55 2e8m n PRO 96 Ca 0.06 -0.23 -0.31 0.00 -0.04 0.00 0.00 63.50 62.98 2e8m n PRO 96 Cb 0.25 -0.22 -0.15 0.00 -0.04 0.00 0.00 33.50 33.34 2e8m n PRO 96 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2e8m s SER 97 N -1.90 4.64 1.01 3.54 0.01 -1.26 -5.11 113.70 114.63 2e8m s SER 97 Ca 0.09 -2.21 -0.13 0.00 1.31 0.00 0.00 55.95 55.01 2e8m s SER 97 Cb -0.01 -1.55 0.19 0.00 0.21 0.00 0.00 66.02 64.86 2e8m s SER 97 CO 0.07 -0.37 1.11 -0.94 0.41 0.00 0.00 173.24 173.53 2e8m s SER 98 N 0.83 2.56 0.00 2.44 1.04 -1.26 -5.35 113.70 113.95 2e8m s SER 98 Ca 0.12 1.01 0.00 0.00 0.48 0.00 0.00 55.95 57.56 2e8m s SER 98 Cb -0.20 -1.59 0.00 0.00 0.10 0.00 0.00 66.02 64.34 2e8m s SER 98 CO -0.09 -3.15 0.00 0.61 0.98 0.00 0.00 173.24 171.59