#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 -8.32 -3.10 1.61 7.64 -1.26 -4.96 113.62 105.23 2e8m n SER 2 Ca 0.00 0.56 -0.15 0.00 1.01 0.00 0.00 58.87 60.29 2e8m n SER 2 Cb 0.00 -4.24 0.01 0.00 -1.01 0.00 0.00 64.21 58.98 2e8m n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2e8m n SER 3 N -4.15 -7.16 0.00 6.43 2.88 -1.26 -4.99 113.62 105.37 2e8m n SER 3 Ca 0.01 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 2e8m n SER 3 Cb 0.64 -4.26 0.00 0.00 -0.75 0.00 0.00 64.21 59.84 2e8m n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e8m n GLY 4 N -0.57 -1.74 3.43 0.46 0.00 -1.26 -4.98 105.19 100.53 2e8m n GLY 4 Ca 0.02 0.77 -0.20 0.00 0.00 0.00 0.00 46.02 46.62 2e8m n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2e8m n SER 5 N 0.00 -4.06 -3.52 1.61 2.88 -1.26 -5.00 113.62 104.26 2e8m n SER 5 Ca 0.00 -0.56 -0.02 0.00 -1.33 0.00 0.00 58.87 56.96 2e8m n SER 5 Cb 0.00 -4.92 -0.05 0.00 -0.75 0.00 0.00 64.21 58.49 2e8m n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2e8m s SER 6 N -3.83 -0.89 0.00 -3.46 0.15 -1.26 -5.02 113.70 99.39 2e8m s SER 6 Ca 0.27 1.20 0.00 0.00 0.70 0.00 0.00 55.95 58.12 2e8m s SER 6 Cb -0.12 1.98 0.00 0.00 -1.71 0.00 0.00 66.02 66.17 2e8m s SER 6 CO 0.70 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.52 2e8m n GLY 7 N 5.43 1.80 3.76 9.45 0.00 -1.26 -4.52 105.19 119.85 2e8m n GLY 7 Ca -0.08 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 2.01 -4.71 2.61 -1.04 -1.26 -5.02 114.28 106.88 2e8m n THR 8 Ca 0.00 -0.50 -0.23 0.00 -2.04 0.00 0.00 64.05 61.28 2e8m n THR 8 Cb 0.00 -1.91 -0.15 0.00 -1.82 0.00 0.00 70.33 66.45 2e8m n THR 8 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2e8m s ILE 9 N -1.12 1.19 0.00 12.58 1.10 -1.26 -4.74 121.20 128.95 2e8m s ILE 9 Ca 0.54 -0.64 0.00 0.00 -0.51 0.00 0.00 60.65 60.03 2e8m s ILE 9 Cb -0.49 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.13 2e8m s ILE 9 CO 0.64 0.34 0.00 0.61 -2.11 0.00 0.00 174.94 174.41 2e8m n GLY 10 N 2.73 0.47 3.57 1.50 0.00 -1.26 -5.10 105.19 107.10 2e8m n GLY 10 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 2.90 0.94 1.61 1.81 -1.26 -4.97 118.95 119.97 2e8m s ARG 11 Ca 0.00 0.76 -0.11 0.00 -1.72 0.00 0.00 55.73 54.66 2e8m s ARG 11 Cb 0.00 -4.30 0.16 0.00 -0.45 0.00 0.00 34.95 30.36 2e8m s ARG 11 CO 0.00 -2.41 1.10 -1.54 -0.68 0.00 0.00 175.30 171.78 2e8m s SER 12 N 7.03 2.88 0.29 0.23 1.04 -1.26 -5.06 113.70 118.85 2e8m s SER 12 Ca 0.67 1.84 -0.04 0.00 0.48 0.00 0.00 55.95 58.90 2e8m s SER 12 Cb -0.14 -2.42 0.02 0.00 0.10 0.00 0.00 66.02 63.57 2e8m s SER 12 CO 0.24 -3.07 0.45 0.00 0.98 0.00 0.00 173.24 171.85 2e8m n ALA 13 N -4.19 -0.58 -0.34 5.32 0.00 -1.26 -5.17 120.51 114.28 2e8m n ALA 13 Ca 0.08 -1.21 -0.31 0.00 0.00 0.00 0.00 53.44 52.01 2e8m n ALA 13 Cb 0.53 0.97 0.29 0.00 0.00 0.00 0.00 19.45 21.24 2e8m n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e8m s ALA 14 N -2.34 -0.79 -0.15 0.00 0.00 -1.26 -5.02 121.76 112.21 2e8m s ALA 14 Ca 0.20 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 2e8m s ALA 14 Cb -0.02 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 2e8m s ALA 14 CO 0.15 -4.66 -0.07 -0.65 0.00 0.00 0.00 175.76 170.52 2e8m s GLN 15 N -5.09 3.56 0.21 0.00 -0.21 -1.26 -5.12 119.66 111.76 2e8m s GLN 15 Ca 0.69 -0.59 0.01 0.00 0.02 0.00 0.00 55.36 55.49 2e8m s GLN 15 Cb -0.13 -2.80 -0.04 0.00 1.00 0.00 0.00 33.01 31.04 2e8m s GLN 15 CO 0.58 0.23 0.38 0.21 -2.12 0.00 0.00 175.29 174.57 2e8m s LYS 16 N 0.36 3.49 -0.08 2.91 2.47 -1.26 -5.11 119.74 122.52 2e8m s LYS 16 Ca -0.07 -0.44 0.04 0.00 -1.56 0.00 0.00 55.97 53.94 2e8m s LYS 16 Cb -0.15 -2.85 -0.00 0.00 -1.46 0.00 0.00 37.83 33.37 2e8m s LYS 16 CO 0.04 0.40 -0.23 -1.59 0.16 0.00 0.00 175.35 174.13 2e8m s LYS 17 N -3.49 2.76 0.20 4.03 0.00 -1.26 -5.12 119.74 116.85 2e8m s LYS 17 Ca 0.37 -0.83 -0.30 0.00 0.00 0.00 0.00 55.97 55.21 2e8m s LYS 17 Cb -0.11 -2.15 -0.08 0.00 0.00 0.00 0.00 37.83 35.49 2e8m s LYS 17 CO 0.30 0.21 0.98 -0.06 0.00 0.00 0.00 175.35 176.78 2e8m s PHE 18 N 0.25 3.85 -0.28 1.78 0.40 -1.26 -5.04 117.98 117.68 2e8m s PHE 18 Ca -0.15 1.83 -0.09 0.00 -0.60 0.00 0.00 56.93 57.92 2e8m s PHE 18 Cb -0.17 -3.06 0.12 0.00 0.51 0.00 0.00 43.02 40.42 2e8m s PHE 18 CO 0.07 0.17 0.59 -1.01 0.70 0.00 0.00 175.22 175.74 2e8m s HIS 19 N -0.72 -1.23 0.13 0.36 3.76 -1.26 -5.17 115.29 111.16 2e8m s HIS 19 Ca 0.44 2.11 0.05 0.00 -0.15 0.00 0.00 55.06 57.52 2e8m s HIS 19 Cb -0.26 0.68 -0.04 0.00 1.11 0.00 0.00 32.58 34.07 2e8m s HIS 19 CO 0.33 -0.64 -0.13 0.14 -0.85 0.00 0.00 174.74 173.59 2e8m s VAL 20 N 2.83 1.27 -0.06 -0.90 -7.23 -1.26 -5.12 120.40 109.93 2e8m s VAL 20 Ca -0.04 -1.78 -0.30 0.00 -1.81 0.00 0.00 61.98 58.05 2e8m s VAL 20 Cb -0.12 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.19 2e8m s VAL 20 CO -0.18 -0.50 1.49 -2.16 -0.31 0.00 0.00 175.10 173.45 2e8m s PRO 21 N -2.90 4.22 0.21 4.82 0.04 -1.26 -4.92 135.00 135.21 2e8m s PRO 21 Ca 0.10 2.01 -0.10 0.00 0.04 0.00 0.00 61.00 63.06 2e8m s PRO 21 Cb -0.03 -3.81 0.21 0.00 0.04 0.00 0.00 34.50 30.91 2e8m s PRO 21 CO 0.02 -0.74 1.84 0.00 0.04 0.00 0.00 177.00 178.16 2e8m h ARG 22 N 8.72 0.80 -6.60 4.56 2.47 -2.07 -3.42 114.38 118.83 2e8m h ARG 22 Ca -0.36 -0.05 -0.67 0.00 -1.26 0.00 0.00 59.98 57.65 2e8m h ARG 22 Cb 1.16 -0.18 -0.16 0.00 -1.65 0.00 0.00 29.97 29.14 2e8m h ARG 22 CO 0.94 0.53 -0.75 -0.65 0.56 0.00 0.00 179.97 180.60 2e8m s GLN 23 N -6.11 2.03 0.54 0.04 -1.52 -1.26 -5.12 119.66 108.26 2e8m s GLN 23 Ca -0.13 -1.08 -0.18 0.00 -1.95 0.00 0.00 55.36 52.02 2e8m s GLN 23 Cb 0.16 -2.25 -0.06 0.00 -0.22 0.00 0.00 33.01 30.64 2e8m s GLN 23 CO 0.77 0.50 1.07 -0.80 -0.25 0.00 0.00 175.29 176.57 2e8m s ASN 24 N -2.23 5.95 0.08 5.90 -0.87 -1.26 -5.07 114.94 117.45 2e8m s ASN 24 Ca 0.21 1.96 0.05 0.00 -1.57 0.00 0.00 52.86 53.50 2e8m s ASN 24 Cb -0.11 -2.56 -0.03 0.00 -0.02 0.00 0.00 41.25 38.53 2e8m s ASN 24 CO 0.13 -1.05 -0.13 0.68 -2.57 0.00 0.00 177.10 174.16 2e8m s VAL 25 N -2.09 1.08 0.87 1.60 -7.23 -1.26 -5.15 120.40 108.22 2e8m s VAL 25 Ca 0.67 -1.43 -0.11 0.00 -1.81 0.00 0.00 61.98 59.30 2e8m s VAL 25 Cb -0.18 -1.18 0.11 0.00 0.56 0.00 0.00 36.38 35.69 2e8m s VAL 25 CO 0.28 -0.34 1.09 -2.16 -0.31 0.00 0.00 175.10 173.67 2e8m s PRO 26 N -2.11 1.49 -0.07 4.82 0.04 -1.26 -4.96 135.00 132.95 2e8m s PRO 26 Ca 0.01 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 61.65 2e8m s PRO 26 Cb -0.08 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2e8m s PRO 26 CO 0.02 -2.10 1.41 0.08 0.04 0.00 0.00 177.00 176.44 2e8m s VAL 27 N -2.93 3.90 -0.05 -0.36 1.01 -1.26 -5.01 120.40 115.70 2e8m s VAL 27 Ca 0.63 1.17 -0.06 0.00 0.00 0.00 0.00 61.98 63.72 2e8m s VAL 27 Cb -0.18 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2e8m s VAL 27 CO 0.57 -0.06 0.20 -0.63 0.00 0.00 0.00 175.10 175.18 2e8m s ILE 28 N 3.14 5.41 0.04 2.22 -1.09 -1.26 -5.10 121.20 124.56 2e8m s ILE 28 Ca 0.63 0.14 -0.19 0.00 -2.23 0.00 0.00 60.65 59.00 2e8m s ILE 28 Cb -0.28 -3.50 0.04 0.00 -1.58 0.00 0.00 42.46 37.14 2e8m s ILE 28 CO 0.23 0.48 0.44 0.20 -1.23 0.00 0.00 174.94 175.06 2e8m s ASN 29 N -1.44 -0.33 0.13 3.58 -0.87 -1.26 -4.99 114.94 109.76 2e8m s ASN 29 Ca 0.22 0.05 0.05 0.00 -1.57 0.00 0.00 52.86 51.62 2e8m s ASN 29 Cb -0.13 0.44 -0.04 0.00 -0.02 0.00 0.00 41.25 41.50 2e8m s ASN 29 CO 0.11 -0.67 -0.13 0.27 -2.57 0.00 0.00 177.10 174.11 2e8m s ILE 30 N -2.43 1.28 0.40 0.60 -4.36 -1.26 -4.98 121.20 110.44 2e8m s ILE 30 Ca -0.06 -1.79 0.05 0.00 -0.26 0.00 0.00 60.65 58.60 2e8m s ILE 30 Cb -0.01 -1.58 -0.02 0.00 1.25 0.00 0.00 42.46 42.10 2e8m s ILE 30 CO -0.02 -0.50 0.19 0.42 0.24 0.00 0.00 174.94 175.27 2e8m s THR 31 N -2.41 0.35 0.05 8.37 -4.23 -1.26 -4.86 115.64 111.64 2e8m s THR 31 Ca 0.10 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 58.93 2e8m s THR 31 Cb -0.03 -2.35 0.34 0.00 1.34 0.00 0.00 72.50 71.80 2e8m s THR 31 CO 0.02 0.00 1.96 1.88 -0.54 0.00 0.00 174.62 177.94 2e8m h TYR 32 N 1.85 0.00 -0.83 3.99 0.05 -1.95 -2.47 116.97 117.61 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 1.72 0.00 -0.57 -0.25 -1.05 0.00 0.00 178.16 178.01 2e8m n ASP 33 N -2.71 5.33 -5.00 3.88 8.00 -1.26 -3.23 116.55 121.57 2e8m n ASP 33 Ca -0.00 -3.75 -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 -0.93 -4.99 113.70 108.11 2e8m s SER 34 Ca 0.53 -0.27 -0.01 0.00 1.31 0.00 0.00 55.95 57.51 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 -0.76 0.43 0.42 0.41 0.00 0.00 173.24 173.77 2e8m s THR 35 N -2.39 5.17 -1.18 1.44 -4.23 -1.26 -3.11 115.64 110.07 2e8m s THR 35 Ca 0.53 -0.35 0.14 0.00 -1.18 0.00 0.00 61.69 60.83 2e8m s THR 35 Cb -0.10 -3.76 0.18 0.00 1.34 0.00 0.00 72.50 70.16 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 -0.90 0.09 -0.00 3.99 -0.04 -1.26 -2.26 135.00 134.62 2e8m n PRO 36 Ca -0.05 0.21 0.01 0.00 -0.04 0.00 0.00 63.50 63.63 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 -1.41 0.64 0.09 0.54 1.02 -1.26 -4.04 120.64 116.22 2e8m n GLU 37 Ca 0.05 0.07 -0.03 0.00 -0.02 0.00 0.00 57.16 57.23 2e8m n GLU 37 Cb 0.14 -1.68 -0.06 0.00 -0.02 0.00 0.00 31.44 29.82 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 0.44 1.62 5.19 -1.83 -3.26 116.42 118.58 2e8m h ASP 38 Ca -0.21 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.11 2e8m h ASP 38 Cb 1.57 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.07 2e8m h ASP 38 CO 0.03 0.78 -0.44 0.58 -3.12 0.00 0.00 179.24 177.07 2e8m h VAL 39 N 0.00 1.31 -0.65 -1.35 2.07 -1.69 -2.51 116.25 113.43 2e8m h VAL 39 Ca -0.02 -1.50 -0.03 0.00 0.82 0.00 0.00 66.70 65.97 2e8m h VAL 39 Cb 1.61 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 33.16 2e8m h VAL 39 CO 0.10 0.43 0.29 0.50 0.02 0.00 0.00 177.57 178.91 2e8m h LYS 40 N 0.00 0.95 0.00 1.57 3.64 -1.71 -2.06 116.57 118.96 2e8m h LYS 40 Ca -0.00 -0.15 -0.13 0.00 -1.27 0.00 0.00 60.65 59.10 2e8m h LYS 40 Cb 0.77 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 2e8m h LYS 40 CO 0.06 0.78 -0.60 1.15 -2.27 0.00 0.00 179.45 178.56 2e8m h THR 41 N 0.91 1.23 -0.51 1.00 2.02 -1.65 -2.93 112.91 112.98 2e8m h THR 41 Ca 0.22 -2.21 -0.12 0.00 0.77 0.00 0.00 66.41 65.07 2e8m h THR 41 Cb 0.15 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 2e8m h THR 41 CO -0.02 0.59 -0.14 -0.25 0.37 0.00 0.00 175.52 176.06 2e8m h TRP 42 N 0.00 1.11 -0.31 3.16 7.01 -1.05 -1.52 115.95 124.36 2e8m h TRP 42 Ca -0.01 -0.24 -0.16 0.00 2.11 0.00 0.00 58.89 60.59 2e8m h TRP 42 Cb 1.21 -0.27 -0.00 0.00 -2.10 0.00 0.00 29.16 28.00 2e8m h TRP 42 CO 0.00 1.05 -0.43 -0.07 -2.79 0.00 0.00 178.44 176.19 2e8m h LEU 43 N 0.87 0.91 -0.16 0.65 3.38 -1.37 -2.99 115.31 116.60 2e8m h LEU 43 Ca 0.13 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2e8m h LEU 43 Cb 0.71 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2e8m h LEU 43 CO 0.05 1.24 0.06 1.56 0.09 0.00 0.00 178.44 181.44 2e8m h GLN 44 N 0.61 0.24 -0.38 1.13 1.08 -1.44 -2.25 115.11 114.09 2e8m h GLN 44 Ca 0.03 -0.05 0.08 0.00 -1.45 0.00 0.00 58.65 57.26 2e8m h GLN 44 Cb 1.03 -0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 28.35 2e8m h GLN 44 CO 0.10 0.33 -0.10 1.03 -0.95 0.00 0.00 178.83 179.24 2e8m h SER 45 N 0.09 -0.38 -0.12 1.46 0.87 -1.31 0.24 113.55 114.40 2e8m h SER 45 Ca 0.05 0.12 0.03 0.00 -1.23 0.00 0.00 61.79 60.76 2e8m h SER 45 Cb 0.19 0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2e8m h SER 45 CO -0.00 -0.14 0.17 0.11 -0.53 0.00 0.00 176.83 176.44 2e8m h LYS 46 N -0.01 0.00 -0.17 2.24 1.79 -1.43 -3.45 116.57 115.53 2e8m h LYS 46 Ca 0.19 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 2e8m h LYS 46 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2e8m h LYS 46 CO -0.40 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.38 2e8m n GLY 47 N -1.33 0.72 3.91 3.86 0.00 0.84 -5.11 105.19 108.08 2e8m n GLY 47 Ca 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.63 3.49 1.05 1.61 0.08 -0.86 -5.04 117.98 116.69 2e8m s PHE 48 Ca 0.00 0.23 -0.12 0.00 0.12 0.00 0.00 56.93 57.16 2e8m s PHE 48 Cb 0.00 -1.74 0.20 0.00 -0.57 0.00 0.00 43.02 40.90 2e8m s PHE 48 CO 0.00 0.58 0.92 0.27 -0.10 0.00 0.00 175.22 176.89 2e8m n ASN 49 N 0.26 -1.03 -0.09 1.36 0.23 -1.26 -4.67 115.26 110.05 2e8m n ASN 49 Ca -0.05 0.11 -0.13 0.00 -0.53 0.00 0.00 54.58 53.97 2e8m n ASN 49 Cb 0.51 -1.31 -0.04 0.00 -2.08 0.00 0.00 39.78 36.86 2e8m n ASN 49 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 2e8m h PRO 50 N -2.24 0.70 -0.60 -0.53 0.13 -1.98 -2.90 132.00 124.58 2e8m h PRO 50 Ca -0.52 -0.37 0.17 0.00 -0.87 0.00 0.00 66.00 64.41 2e8m h PRO 50 Cb 1.31 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 2e8m h PRO 50 CO 0.44 0.98 0.71 0.28 -0.23 0.00 0.00 178.00 180.18 2e8m h VAL 51 N 0.44 0.22 0.09 1.56 2.07 -1.99 0.25 116.25 118.90 2e8m h VAL 51 Ca 0.05 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.22 2e8m h VAL 51 Cb 0.85 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2e8m h VAL 51 CO 0.07 0.00 -1.95 0.41 0.02 0.00 0.00 177.57 176.12 2e8m n THR 52 N -3.50 1.72 0.27 2.57 -1.04 -1.15 -3.13 114.28 110.03 2e8m n THR 52 Ca 0.12 -0.55 0.14 0.00 -2.04 0.00 0.00 64.05 61.72 2e8m n THR 52 Cb 0.92 -1.76 0.74 0.00 -1.82 0.00 0.00 70.33 68.42 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 -0.12 0.39 0.00 12.58 2.07 -0.58 0.23 116.25 130.83 2e8m h VAL 53 Ca -0.43 -0.55 -0.23 0.00 0.82 0.00 0.00 66.70 66.31 2e8m h VAL 53 Cb 1.91 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 33.03 2e8m h VAL 53 CO 0.02 0.10 -1.50 0.78 0.02 0.00 0.00 177.57 176.98 2e8m h ASN 54 N 0.00 0.00 0.00 0.57 2.35 -0.80 -2.79 115.58 114.91 2e8m h ASN 54 Ca -0.00 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 2e8m h ASN 54 Cb 0.38 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 2e8m h ASN 54 CO 0.01 0.80 -0.57 -1.28 -1.65 0.00 0.00 177.43 174.74 2e8m h SER 55 N 0.00 0.01 -0.47 5.81 0.87 -1.38 -3.35 113.55 115.03 2e8m h SER 55 Ca -0.21 -0.78 -0.05 0.00 -1.23 0.00 0.00 61.79 59.51 2e8m h SER 55 Cb 1.79 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.72 2e8m h SER 55 CO 0.07 1.23 0.07 0.18 -0.53 0.00 0.00 176.83 177.84 2e8m n LEU 56 N -4.52 4.73 -1.36 2.23 4.77 0.78 -4.10 117.00 119.52 2e8m n LEU 56 Ca -0.20 -2.42 0.12 0.00 -0.03 0.00 0.00 56.01 53.48 2e8m n LEU 56 Cb 0.58 -0.66 0.32 0.00 -2.33 0.00 0.00 43.42 41.33 2e8m n LEU 56 CO 0.28 0.58 0.78 0.61 -1.33 0.00 0.00 177.39 178.30 2e8m n GLY 57 N 0.30 2.47 0.00 -0.72 0.00 -1.05 -4.18 105.19 102.01 2e8m n GLY 57 Ca 0.24 -0.80 0.02 0.00 0.00 0.00 0.00 46.02 45.48 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 1.67 0.00 -3.25 1.61 0.24 -1.26 -4.54 118.33 112.80 2e8m n VAL 58 Ca 0.25 -0.10 -0.39 0.00 -2.04 0.00 0.00 64.34 62.06 2e8m n VAL 58 Cb 0.63 0.44 -0.06 0.00 -1.47 0.00 0.00 33.84 33.38 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 -3.21 4.47 0.84 1.34 1.43 -1.26 -4.69 118.68 117.59 2e8m s LEU 59 Ca -0.01 1.19 -0.11 0.00 -1.03 0.00 0.00 54.13 54.16 2e8m s LEU 59 Cb 0.02 -2.89 0.09 0.00 0.03 0.00 0.00 46.19 43.45 2e8m s LEU 59 CO 0.15 0.19 1.09 0.54 0.23 0.00 0.00 176.35 178.55 2e8m s ASN 60 N -0.61 4.07 0.36 2.29 2.20 -1.26 -4.25 114.94 117.72 2e8m s ASN 60 Ca 0.30 1.43 0.11 0.00 -0.94 0.00 0.00 52.86 53.76 2e8m s ASN 60 Cb -0.19 -2.14 0.90 0.00 -2.00 0.00 0.00 41.25 37.82 2e8m s ASN 60 CO 0.18 -2.25 1.81 1.23 -2.94 0.00 0.00 177.10 175.12 2e8m h GLY 61 N -1.28 1.39 0.98 0.45 0.00 -1.68 -0.13 103.07 102.79 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 -0.27 0.00 0.00 0.00 0.00 176.54 176.79 2e8m h ALA 62 N 1.63 -0.75 -0.14 3.60 0.00 -1.61 0.77 119.26 122.76 2e8m h ALA 62 Ca 0.54 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2e8m h ALA 62 Cb 1.06 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2e8m h ALA 62 CO -0.30 -0.91 0.09 1.96 0.00 0.00 0.00 179.25 180.09 2e8m h GLN 63 N -0.78 0.17 -0.76 0.00 1.08 -1.68 -2.29 115.11 110.85 2e8m h GLN 63 Ca -0.08 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.17 2e8m h GLN 63 Cb 0.59 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.94 2e8m h GLN 63 CO 0.13 0.12 0.50 1.25 -0.95 0.00 0.00 178.83 179.87 2e8m h LEU 64 N 0.18 0.74 -1.68 1.46 6.46 -1.00 0.48 115.31 121.95 2e8m h LEU 64 Ca 0.05 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 2e8m h LEU 64 Cb -0.01 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.76 2e8m h LEU 64 CO -0.02 0.49 -0.08 -0.26 -0.62 0.00 0.00 178.44 177.94 2e8m h PHE 65 N 0.84 0.00 0.00 1.25 -1.00 -0.30 -2.48 116.94 115.25 2e8m h PHE 65 Ca 0.32 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.91 2e8m h PHE 65 Cb 0.18 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.71 2e8m h PHE 65 CO -0.00 0.08 -0.91 1.03 -1.61 0.00 0.00 178.31 176.90 2e8m h SER 66 N 0.00 0.00 -3.93 2.17 0.87 -0.42 -3.46 113.55 108.79 2e8m h SER 66 Ca -0.00 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 60.04 2e8m h SER 66 Cb 0.46 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.49 2e8m h SER 66 CO 0.01 0.87 0.60 -0.76 -0.53 0.00 0.00 176.83 177.01 2e8m s LEU 67 N -6.60 4.27 0.00 2.23 1.43 -0.94 -5.04 118.68 114.03 2e8m s LEU 67 Ca 0.01 2.60 0.04 0.00 -1.03 0.00 0.00 54.13 55.76 2e8m s LEU 67 Cb 0.09 -3.86 0.04 0.00 0.03 0.00 0.00 46.19 42.50 2e8m s LEU 67 CO 0.80 -0.73 0.34 -0.46 0.23 0.00 0.00 176.35 176.53 2e8m n ASN 68 N 0.30 2.77 0.15 2.29 6.94 -1.26 -4.86 115.26 121.59 2e8m n ASN 68 Ca 0.03 -2.85 0.18 0.00 -0.02 0.00 0.00 54.58 51.92 2e8m n ASN 68 Cb 0.44 0.01 0.79 0.00 -2.36 0.00 0.00 39.78 38.66 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 -1.96 0.19 116.57 114.62 2e8m h LYS 69 Ca -0.34 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2e8m h LYS 69 Cb 1.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2e8m h LYS 69 CO 0.54 0.00 -0.05 0.22 -2.27 0.00 0.00 179.45 177.89 2e8m h ASP 70 N 0.00 0.00 -0.79 4.20 3.58 -1.96 -2.68 116.42 118.78 2e8m h ASP 70 Ca 0.13 -0.10 0.08 0.00 0.42 0.00 0.00 57.03 57.57 2e8m h ASP 70 Cb 0.75 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.73 2e8m h ASP 70 CO -0.00 0.57 0.46 -0.33 -2.88 0.00 0.00 179.24 177.06 2e8m h GLU 71 N -1.00 0.77 0.00 0.28 5.08 -1.85 0.05 114.58 117.92 2e8m h GLU 71 Ca -0.00 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 2e8m h GLU 71 Cb 0.14 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2e8m h GLU 71 CO -0.00 0.51 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.12 2e8m h LEU 72 N 0.79 0.00 -0.28 1.33 3.38 -0.79 -2.32 115.31 117.43 2e8m h LEU 72 Ca 0.37 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.28 2e8m h LEU 72 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2e8m h LEU 72 CO -0.22 0.33 -0.28 -0.09 0.09 0.00 0.00 178.44 178.27 2e8m h ARG 73 N 0.00 0.00 0.22 1.13 2.43 -0.68 -2.93 114.38 114.55 2e8m h ARG 73 Ca -0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.83 2e8m h ARG 73 Cb 0.70 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.28 2e8m h ARG 73 CO 0.04 0.28 -1.54 1.79 -1.51 0.00 0.00 179.97 179.03 2e8m h THR 74 N 0.00 1.16 -0.39 0.20 1.35 -0.72 -3.34 112.91 111.18 2e8m h THR 74 Ca -0.00 -2.61 -0.09 0.00 -0.55 0.00 0.00 66.41 63.15 2e8m h THR 74 Cb 1.12 2.95 -0.02 0.00 -1.73 0.00 0.00 68.15 70.47 2e8m h THR 74 CO 0.04 0.82 -0.13 1.62 -0.25 0.00 0.00 175.52 177.61 2e8m h VAL 75 N 0.09 1.25 -3.44 6.82 3.04 -1.49 -3.46 116.25 119.07 2e8m h VAL 75 Ca -0.29 -1.16 -0.06 0.00 -1.01 0.00 0.00 66.70 64.19 2e8m h VAL 75 Cb 2.11 1.10 -0.13 0.00 -2.01 0.00 0.00 31.29 32.36 2e8m h VAL 75 CO 0.23 0.39 -0.11 0.00 -1.01 0.00 0.00 177.57 177.07 2e8m h PRO 77 N 2.41 0.00 -0.91 0.00 0.13 -1.84 -2.79 132.00 129.00 2e8m h PRO 77 Ca -0.34 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.52 2e8m h PRO 77 Cb 1.25 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.22 2e8m h PRO 77 CO 0.48 0.11 0.35 0.39 -0.23 0.00 0.00 178.00 179.09 2e8m n GLU 78 N -3.28 2.55 0.48 0.86 -0.58 -1.26 -4.56 120.64 114.85 2e8m n GLU 78 Ca 0.00 -2.29 -0.19 0.00 -0.42 0.00 0.00 57.16 54.25 2e8m n GLU 78 Cb 0.34 -1.94 -0.09 0.00 -0.57 0.00 0.00 31.44 29.17 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 2.51 -1.29 0.38 0.62 0.00 -1.50 -1.13 103.07 102.66 2e8m h GLY 79 Ca 0.34 0.48 0.23 0.00 0.00 0.00 0.00 47.33 48.38 2e8m h GLY 79 CO 0.69 -0.47 0.59 0.00 0.00 0.00 0.00 176.54 177.35 2e8m h ALA 80 N -1.29 2.75 -0.02 3.60 0.00 -1.80 0.31 119.26 122.80 2e8m h ALA 80 Ca -0.13 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 2e8m h ALA 80 Cb 0.95 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2e8m h ALA 80 CO 0.21 -1.00 -0.89 0.00 0.00 0.00 0.00 179.25 177.57 2e8m h ARG 81 N 0.00 0.38 -0.01 0.00 3.08 -1.81 -3.00 114.38 113.02 2e8m h ARG 81 Ca 0.38 -0.39 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2e8m h ARG 81 Cb 1.55 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.71 2e8m h ARG 81 CO -0.00 1.06 -0.25 0.28 -1.07 0.00 0.00 179.97 179.99 2e8m h VAL 82 N 0.22 1.52 -0.63 2.04 2.07 0.79 -3.23 116.25 119.03 2e8m h VAL 82 Ca -0.06 -1.86 0.10 0.00 0.82 0.00 0.00 66.70 65.70 2e8m h VAL 82 Cb 1.51 2.65 -0.08 0.00 -1.52 0.00 0.00 31.29 33.86 2e8m h VAL 82 CO 0.15 0.51 0.23 0.22 0.02 0.00 0.00 177.57 178.70 2e8m h TYR 83 N -0.44 0.39 0.00 1.57 3.20 -1.02 0.28 116.97 120.96 2e8m h TYR 83 Ca -0.03 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2e8m h TYR 83 Cb 0.97 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 2e8m h TYR 83 CO 0.17 0.08 -0.00 1.03 -1.64 0.00 0.00 178.16 177.79 2e8m h SER 84 N 0.40 0.00 0.81 -2.11 0.87 -1.60 0.18 113.55 112.10 2e8m h SER 84 Ca 0.32 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.80 2e8m h SER 84 Cb 0.42 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 2e8m h SER 84 CO -0.33 0.00 -1.25 0.00 -0.53 0.00 0.00 176.83 174.73 2e8m n GLN 85 N -3.35 0.61 0.01 2.24 1.13 0.84 -4.11 117.38 114.75 2e8m n GLN 85 Ca -0.03 0.16 -0.12 0.00 -1.94 0.00 0.00 57.00 55.08 2e8m n GLN 85 Cb 0.09 -1.81 -0.14 0.00 0.11 0.00 0.00 30.24 28.49 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 0.98 -0.79 5.09 2.04 0.47 -3.35 117.51 121.94 2e8m h ILE 86 Ca -0.09 -2.76 0.15 0.00 1.00 0.00 0.00 64.86 63.16 2e8m h ILE 86 Cb 1.30 2.55 -0.06 0.00 -0.74 0.00 0.00 36.82 39.87 2e8m h ILE 86 CO 0.02 0.67 0.53 0.00 0.00 0.00 0.00 178.15 179.37 2e8m h THR 87 N 0.02 0.80 0.00 -0.27 1.03 -0.89 0.26 112.91 113.86 2e8m h THR 87 Ca -0.26 -0.17 -0.06 0.00 -0.01 0.00 0.00 66.41 65.91 2e8m h THR 87 Cb 1.99 0.27 -0.01 0.00 -1.07 0.00 0.00 68.15 69.33 2e8m h THR 87 CO 0.10 0.09 -0.30 1.62 -0.01 0.00 0.00 175.52 177.02 2e8m h VAL 88 N 0.49 0.73 0.05 0.00 3.04 -1.74 -2.48 116.25 116.34 2e8m h VAL 88 Ca 0.39 -1.32 -0.00 0.00 -1.01 0.00 0.00 66.70 64.76 2e8m h VAL 88 Cb 0.82 1.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.95 2e8m h VAL 88 CO -0.14 0.29 -0.02 1.56 -1.01 0.00 0.00 177.57 178.25 2e8m h GLN 89 N 0.00 -0.07 -0.63 4.17 1.08 -0.67 -2.97 115.11 116.02 2e8m h GLN 89 Ca -0.00 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.24 2e8m h GLN 89 Cb 0.82 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 28.22 2e8m h GLN 89 CO 0.04 0.53 0.36 0.87 -0.95 0.00 0.00 178.83 179.68 2e8m h LYS 90 N -0.91 0.67 0.00 1.46 1.57 -1.38 -0.78 116.57 117.20 2e8m h LYS 90 Ca -0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2e8m h LYS 90 Cb 0.63 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 2e8m h LYS 90 CO 0.01 0.45 -0.07 0.00 -0.57 0.00 0.00 179.45 179.27 2e8m h ALA 91 N 1.30 1.56 -0.05 3.86 0.00 -1.56 -0.73 119.26 123.65 2e8m h ALA 91 Ca 0.27 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 2e8m h ALA 91 Cb 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2e8m h ALA 91 CO -0.14 0.09 -0.59 0.00 0.00 0.00 0.00 179.25 178.60 2e8m h ALA 92 N 1.93 0.92 0.02 0.00 0.00 -0.98 -3.30 119.26 117.85 2e8m h ALA 92 Ca -0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 2e8m h ALA 92 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2e8m h ALA 92 CO 0.01 0.72 -0.51 -0.07 0.00 0.00 0.00 179.25 179.40 2e8m h LEU 93 N 0.12 0.06 -7.61 0.00 3.38 -1.02 -3.46 115.31 106.78 2e8m h LEU 93 Ca -0.00 -0.85 -0.46 0.00 0.09 0.00 0.00 57.88 56.66 2e8m h LEU 93 Cb 1.07 -0.02 -0.37 0.00 0.09 0.00 0.00 40.66 41.44 2e8m h LEU 93 CO 0.09 1.21 -0.78 -0.55 0.09 0.00 0.00 178.44 178.50 2e8m s SER 94 N -6.51 1.60 0.00 -0.43 0.15 -0.37 -5.07 113.70 103.07 2e8m s SER 94 Ca -0.21 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2e8m s SER 94 Cb 0.00 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 2e8m s SER 94 CO 0.68 -0.14 0.70 0.61 1.20 0.00 0.00 173.24 176.29 2e8m n GLY 95 N 4.80 -1.92 0.24 9.45 0.00 -1.25 -4.16 105.19 112.36 2e8m n GLY 95 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 2e8m n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e8m h PRO 96 N 0.00 0.82 -4.91 1.61 0.13 -1.97 -3.47 132.00 124.21 2e8m h PRO 96 Ca 0.00 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2e8m h PRO 96 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2e8m h PRO 96 CO 0.00 1.07 -0.65 0.43 -0.23 0.00 0.00 178.00 178.62 2e8m n SER 97 N -4.16 -7.19 -4.78 1.44 7.64 -1.26 -5.06 113.62 100.24 2e8m n SER 97 Ca -0.03 0.86 -0.25 0.00 1.01 0.00 0.00 58.87 60.46 2e8m n SER 97 Cb 0.51 -4.79 -0.06 0.00 -1.01 0.00 0.00 64.21 58.86 2e8m n SER 97 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2e8m s SER 98 N -1.90 4.52 0.00 6.43 0.01 -1.26 -5.18 113.70 116.32 2e8m s SER 98 Ca 0.11 -1.10 0.14 0.00 1.31 0.00 0.00 55.95 56.41 2e8m s SER 98 Cb -0.03 -0.30 0.11 0.00 0.21 0.00 0.00 66.02 66.01 2e8m s SER 98 CO 0.67 -0.66 0.93 0.61 0.41 0.00 0.00 173.24 175.20