#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 0.04 -3.54 1.61 2.88 -1.26 -5.15 113.62 108.20 2e8m n SER 2 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 2e8m n SER 2 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 2e8m n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2e8m s SER 3 N -4.12 1.36 0.00 -3.46 1.04 -1.26 -5.17 113.70 102.09 2e8m s SER 3 Ca 0.00 -1.68 0.00 0.00 0.48 0.00 0.00 55.95 54.75 2e8m s SER 3 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 2e8m s SER 3 CO 0.00 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.82 2e8m n GLY 4 N -0.55 1.28 3.32 7.32 0.00 -1.26 -5.17 105.19 110.13 2e8m n GLY 4 Ca 0.06 -1.27 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 2e8m n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e8m s SER 5 N 0.00 -0.24 -0.30 1.61 0.01 -1.26 -5.16 113.70 108.36 2e8m s SER 5 Ca 0.00 -0.26 -0.13 0.00 1.31 0.00 0.00 55.95 56.87 2e8m s SER 5 Cb 0.00 0.46 0.13 0.00 0.21 0.00 0.00 66.02 66.82 2e8m s SER 5 CO 0.00 -0.82 0.75 -0.55 0.41 0.00 0.00 173.24 173.03 2e8m s SER 6 N -2.65 -0.95 -0.30 2.44 0.15 -1.26 -5.05 113.70 106.08 2e8m s SER 6 Ca 0.01 1.35 -0.07 0.00 0.70 0.00 0.00 55.95 57.95 2e8m s SER 6 Cb 0.01 1.91 0.01 0.00 -1.71 0.00 0.00 66.02 66.25 2e8m s SER 6 CO -0.10 -0.20 0.27 0.61 1.20 0.00 0.00 173.24 175.02 2e8m n GLY 7 N 4.99 -2.47 1.88 9.45 0.00 -1.26 -5.02 105.19 112.77 2e8m n GLY 7 Ca -0.14 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 0.07 0.00 -4.17 2.61 -1.04 -1.26 -5.11 114.28 105.37 2e8m n THR 8 Ca 0.05 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.75 2e8m n THR 8 Cb 0.21 -0.41 -0.08 0.00 -1.82 0.00 0.00 70.33 68.23 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 -1.94 4.15 -0.40 12.58 1.09 -1.26 -5.07 121.20 130.34 2e8m s ILE 9 Ca 0.00 -0.82 0.08 0.00 -1.10 0.00 0.00 60.65 58.81 2e8m s ILE 9 Cb 0.00 -2.94 0.25 0.00 -1.06 0.00 0.00 42.46 38.72 2e8m s ILE 9 CO 0.00 0.21 0.58 0.61 -0.10 0.00 0.00 174.94 176.24 2e8m n GLY 10 N 0.83 2.52 3.06 6.18 0.00 -1.26 -5.07 105.19 111.45 2e8m n GLY 10 Ca -0.12 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.99 1.76 0.93 1.61 6.06 -1.26 -5.11 118.95 121.96 2e8m s ARG 11 Ca 0.35 -1.76 -0.11 0.00 -2.50 0.00 0.00 55.73 51.71 2e8m s ARG 11 Cb 0.19 -3.27 0.15 0.00 0.06 0.00 0.00 34.95 32.09 2e8m s ARG 11 CO -0.13 -0.91 1.12 0.45 -2.50 0.00 0.00 175.30 173.33 2e8m s SER 12 N 1.18 2.86 -0.05 -2.12 0.15 -1.26 -5.01 113.70 109.44 2e8m s SER 12 Ca 0.07 2.01 -0.08 0.00 0.70 0.00 0.00 55.95 58.64 2e8m s SER 12 Cb -0.20 -2.50 -0.03 0.00 -1.71 0.00 0.00 66.02 61.58 2e8m s SER 12 CO -0.06 -3.11 -0.16 0.00 1.20 0.00 0.00 173.24 171.11 2e8m n ALA 13 N -4.23 1.59 -3.60 5.45 0.00 -1.26 -5.13 120.51 113.33 2e8m n ALA 13 Ca 0.10 -0.41 -0.05 0.00 0.00 0.00 0.00 53.44 53.08 2e8m n ALA 13 Cb 0.53 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 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 -2.56 -2.07 -0.36 0.00 0.00 -1.26 -5.05 121.76 110.46 2e8m s ALA 14 Ca -0.13 1.66 -0.28 0.00 0.00 0.00 0.00 51.96 53.21 2e8m s ALA 14 Cb 0.02 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.70 2e8m s ALA 14 CO 0.20 -0.49 1.04 -0.65 0.00 0.00 0.00 175.76 175.85 2e8m s GLN 15 N -1.99 3.95 0.77 0.00 -0.21 -1.26 -4.88 119.66 116.04 2e8m s GLN 15 Ca 0.08 0.84 0.00 0.00 0.02 0.00 0.00 55.36 56.30 2e8m s GLN 15 Cb -0.01 -3.78 0.00 0.00 1.00 0.00 0.00 33.01 30.22 2e8m s GLN 15 CO -0.05 -0.98 0.00 1.63 -2.12 0.00 0.00 175.29 173.77 2e8m n LYS 16 N 6.98 -1.89 -1.08 2.91 5.02 -1.26 -4.98 118.16 123.86 2e8m n LYS 16 Ca 0.10 1.24 0.15 0.00 -2.02 0.00 0.00 58.31 57.78 2e8m n LYS 16 Cb 0.48 -2.30 -0.04 0.00 -0.02 0.00 0.00 35.03 33.15 2e8m n LYS 16 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2e8m n LYS 17 N -3.33 -2.18 -3.73 1.97 5.02 -1.26 -4.82 118.16 109.83 2e8m n LYS 17 Ca 0.01 1.44 -0.33 0.00 -2.02 0.00 0.00 58.31 57.40 2e8m n LYS 17 Cb 0.43 -2.66 -0.05 0.00 -0.02 0.00 0.00 35.03 32.73 2e8m n LYS 17 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2e8m s PHE 18 N -1.66 3.55 -0.30 2.13 -0.12 -1.26 -5.03 117.98 115.29 2e8m s PHE 18 Ca 0.00 0.56 -0.10 0.00 -0.05 0.00 0.00 56.93 57.34 2e8m s PHE 18 Cb 0.00 -1.99 0.18 0.00 -0.63 0.00 0.00 43.02 40.58 2e8m s PHE 18 CO 0.00 0.55 1.00 -1.01 -0.05 0.00 0.00 175.22 175.72 2e8m s HIS 19 N -1.42 -0.63 0.16 3.49 3.76 -1.26 -5.06 115.29 114.33 2e8m s HIS 19 Ca 0.32 0.46 0.08 0.00 -0.15 0.00 0.00 55.06 55.77 2e8m s HIS 19 Cb -0.13 0.14 -0.04 0.00 1.11 0.00 0.00 32.58 33.66 2e8m s HIS 19 CO 0.20 -0.36 -0.16 0.14 -0.85 0.00 0.00 174.74 173.71 2e8m s VAL 20 N 2.94 1.65 0.87 -0.90 -7.23 -1.26 -4.83 120.40 111.66 2e8m s VAL 20 Ca 0.17 -1.90 -0.11 0.00 -1.81 0.00 0.00 61.98 58.32 2e8m s VAL 20 Cb -0.05 -1.78 0.12 0.00 0.56 0.00 0.00 36.38 35.22 2e8m s VAL 20 CO -0.19 -0.39 1.09 -2.16 -0.31 0.00 0.00 175.10 173.14 2e8m s PRO 21 N -2.90 1.44 -0.55 4.82 0.04 -1.26 -4.86 135.00 131.73 2e8m s PRO 21 Ca 0.15 0.89 -0.27 0.00 0.04 0.00 0.00 61.00 61.81 2e8m s PRO 21 Cb -0.05 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 2e8m s PRO 21 CO 0.05 -2.13 2.45 0.54 0.04 0.00 0.00 177.00 177.95 2e8m n ARG 22 N -3.82 0.92 -3.38 4.56 1.74 -1.26 -4.92 116.66 110.50 2e8m n ARG 22 Ca 0.07 -0.01 -0.38 0.00 -0.77 0.00 0.00 57.85 56.77 2e8m n ARG 22 Cb 0.55 -3.22 -0.06 0.00 -1.02 0.00 0.00 32.46 28.71 2e8m n ARG 22 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2e8m s GLN 23 N 8.37 4.13 0.97 5.56 0.74 -1.26 -5.07 119.66 133.10 2e8m s GLN 23 Ca 1.03 0.51 -0.11 0.00 0.05 0.00 0.00 55.36 56.84 2e8m s GLN 23 Cb -0.30 -3.29 0.17 0.00 1.10 0.00 0.00 33.01 30.69 2e8m s GLN 23 CO 0.29 0.51 1.10 -0.80 -0.55 0.00 0.00 175.29 175.84 2e8m s ASN 24 N -0.54 2.58 0.15 6.67 0.02 -1.26 -5.05 114.94 117.51 2e8m s ASN 24 Ca 0.26 1.90 0.11 0.00 -1.02 0.00 0.00 52.86 54.11 2e8m s ASN 24 Cb -0.17 -2.45 -0.04 0.00 0.02 0.00 0.00 41.25 38.61 2e8m s ASN 24 CO 0.14 -3.27 -0.23 0.68 0.02 0.00 0.00 177.10 174.44 2e8m s VAL 25 N -2.65 2.48 0.87 1.60 -7.23 -1.26 -5.14 120.40 109.07 2e8m s VAL 25 Ca 0.66 -1.80 -0.11 0.00 -1.81 0.00 0.00 61.98 58.92 2e8m s VAL 25 Cb -0.22 -2.15 0.11 0.00 0.56 0.00 0.00 36.38 34.68 2e8m s VAL 25 CO 0.59 -0.00 1.09 -2.16 -0.31 0.00 0.00 175.10 174.32 2e8m s PRO 26 N -2.36 1.47 0.03 4.82 0.04 -1.26 -5.02 135.00 132.71 2e8m s PRO 26 Ca 0.18 0.90 -0.19 0.00 0.04 0.00 0.00 61.00 61.93 2e8m s PRO 26 Cb -0.09 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 2e8m s PRO 26 CO 0.09 -2.11 0.56 0.54 0.04 0.00 0.00 177.00 176.12 2e8m s VAL 27 N -2.93 4.85 -0.03 -0.36 0.11 -1.26 -5.08 120.40 115.71 2e8m s VAL 27 Ca 0.63 1.19 0.02 0.00 -2.93 0.00 0.00 61.98 60.89 2e8m s VAL 27 Cb -0.18 -3.89 -0.03 0.00 -1.53 0.00 0.00 36.38 30.74 2e8m s VAL 27 CO 0.57 0.49 -0.05 -0.63 -3.33 0.00 0.00 175.10 172.14 2e8m s ILE 28 N -0.64 3.78 0.05 7.04 -1.09 -1.26 -5.12 121.20 123.96 2e8m s ILE 28 Ca 0.29 -0.61 -0.18 0.00 -2.23 0.00 0.00 60.65 57.92 2e8m s ILE 28 Cb -0.19 -2.61 0.04 0.00 -1.58 0.00 0.00 42.46 38.12 2e8m s ILE 28 CO 0.17 0.48 0.43 0.20 -1.23 0.00 0.00 174.94 174.99 2e8m s ASN 29 N -1.18 -0.30 0.13 3.58 0.01 -1.26 -4.99 114.94 110.93 2e8m s ASN 29 Ca 0.15 -0.01 0.06 0.00 -0.71 0.00 0.00 52.86 52.35 2e8m s ASN 29 Cb -0.11 0.44 -0.04 0.00 0.41 0.00 0.00 41.25 41.95 2e8m s ASN 29 CO 0.05 -0.70 -0.13 0.27 -1.51 0.00 0.00 177.10 175.09 2e8m s ILE 30 N -2.63 1.30 0.39 0.60 -4.36 -1.26 -4.98 121.20 110.26 2e8m s ILE 30 Ca -0.04 -1.85 0.05 0.00 -0.26 0.00 0.00 60.65 58.55 2e8m s ILE 30 Cb -0.00 -1.65 -0.02 0.00 1.25 0.00 0.00 42.46 42.03 2e8m s ILE 30 CO -0.03 -0.53 0.18 0.42 0.24 0.00 0.00 174.94 175.22 2e8m s THR 31 N -2.55 0.37 0.13 8.37 -4.23 -1.26 -4.88 115.64 111.59 2e8m s THR 31 Ca 0.12 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 58.96 2e8m s THR 31 Cb -0.02 -2.37 0.35 0.00 1.34 0.00 0.00 72.50 71.79 2e8m s THR 31 CO 0.03 0.00 2.00 1.88 -0.54 0.00 0.00 174.62 177.99 2e8m h TYR 32 N 1.89 0.00 -0.82 3.99 0.05 -1.95 -2.42 116.97 117.71 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 -0.41 0.00 1.01 0.00 0.00 36.73 38.60 2e8m h TYR 32 CO 1.62 0.00 -0.52 -0.25 -1.05 0.00 0.00 178.16 177.95 2e8m n ASP 33 N -2.78 5.41 -5.00 3.88 9.92 -1.26 -3.11 116.55 123.62 2e8m n ASP 33 Ca -0.01 -3.76 -0.19 0.00 -0.53 0.00 0.00 54.79 50.31 2e8m n ASP 33 Cb 0.16 -0.46 0.01 0.00 -0.64 0.00 0.00 41.12 40.20 2e8m n ASP 33 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2e8m s SER 34 N -3.29 5.65 0.25 -2.24 0.01 -0.91 -4.99 113.70 108.18 2e8m s SER 34 Ca 0.53 -0.25 -0.02 0.00 1.31 0.00 0.00 55.95 57.53 2e8m s SER 34 Cb 0.43 -0.86 -0.04 0.00 0.21 0.00 0.00 66.02 65.75 2e8m s SER 34 CO 0.02 -0.77 0.46 0.42 0.41 0.00 0.00 173.24 173.78 2e8m s THR 35 N -2.41 5.14 -1.21 1.44 -4.23 -1.26 -3.01 115.64 110.11 2e8m s THR 35 Ca 0.53 -0.28 0.15 0.00 -1.18 0.00 0.00 61.69 60.91 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 -0.27 1.43 -0.81 -0.54 0.00 0.00 174.62 174.77 2e8m n PRO 36 N -0.91 0.10 -0.00 3.99 -0.04 -1.26 -2.26 135.00 134.62 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 -1.91 -0.04 0.00 0.00 175.50 173.55 2e8m n GLU 37 N -1.40 0.65 0.08 0.54 2.13 -1.26 -4.02 120.64 117.36 2e8m n GLU 37 Ca 0.05 0.06 -0.03 0.00 0.66 0.00 0.00 57.16 57.90 2e8m n GLU 37 Cb 0.14 -1.67 -0.06 0.00 0.27 0.00 0.00 31.44 30.12 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 0.42 4.31 5.19 -1.83 -3.27 116.42 121.25 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 1.55 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.05 2e8m h ASP 38 CO 0.03 0.79 -0.42 0.58 -3.12 0.00 0.00 179.24 177.09 2e8m h VAL 39 N 0.00 1.30 -0.72 -1.35 2.07 -1.69 -2.45 116.25 113.41 2e8m h VAL 39 Ca -0.03 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 66.01 2e8m h VAL 39 Cb 1.63 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 33.14 2e8m h VAL 39 CO 0.10 0.41 0.31 0.50 0.02 0.00 0.00 177.57 178.91 2e8m h LYS 40 N 0.00 1.06 0.00 1.57 3.64 -1.71 -2.25 116.57 118.88 2e8m h LYS 40 Ca -0.00 -0.18 -0.15 0.00 -1.27 0.00 0.00 60.65 59.05 2e8m h LYS 40 Cb 0.74 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2e8m h LYS 40 CO 0.05 0.86 -0.70 1.15 -2.27 0.00 0.00 179.45 178.54 2e8m h THR 41 N 1.02 1.38 -0.20 1.00 2.02 -1.65 -2.88 112.91 113.60 2e8m h THR 41 Ca 0.24 -2.50 -0.08 0.00 0.77 0.00 0.00 66.41 64.84 2e8m h THR 41 Cb 0.18 2.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 2e8m h THR 41 CO -0.02 0.69 -0.24 -0.25 0.37 0.00 0.00 175.52 176.06 2e8m h TRP 42 N 0.00 0.42 0.06 3.16 7.01 -1.06 -1.21 115.95 124.33 2e8m h TRP 42 Ca -0.01 -0.08 -0.21 0.00 2.11 0.00 0.00 58.89 60.70 2e8m h TRP 42 Cb 1.34 -0.10 0.02 0.00 -2.10 0.00 0.00 29.16 28.31 2e8m h TRP 42 CO 0.00 0.59 -0.86 -0.07 -2.79 0.00 0.00 178.44 175.31 2e8m h LEU 43 N 0.34 0.65 -0.27 0.65 3.38 -1.39 -3.19 115.31 115.49 2e8m h LEU 43 Ca 0.05 -0.81 -0.01 0.00 0.09 0.00 0.00 57.88 57.20 2e8m h LEU 43 Cb 0.61 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2e8m h LEU 43 CO 0.04 1.39 0.12 1.56 0.09 0.00 0.00 178.44 181.65 2e8m h GLN 44 N -0.00 0.40 -0.41 1.13 1.08 -1.42 -1.91 115.11 113.98 2e8m h GLN 44 Ca -0.12 -0.07 0.08 0.00 -1.45 0.00 0.00 58.65 57.09 2e8m h GLN 44 Cb 1.58 -0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 28.86 2e8m h GLN 44 CO 0.17 0.41 -0.11 1.03 -0.95 0.00 0.00 178.83 179.38 2e8m h SER 45 N 0.30 -0.39 -0.22 1.46 0.87 -1.33 0.14 113.55 114.37 2e8m h SER 45 Ca 0.09 0.12 0.06 0.00 -1.23 0.00 0.00 61.79 60.84 2e8m h SER 45 Cb 0.15 0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 2e8m h SER 45 CO -0.01 -0.14 0.17 0.11 -0.53 0.00 0.00 176.83 176.43 2e8m h LYS 46 N -0.01 0.00 0.00 2.24 1.79 -1.51 -3.45 116.57 115.63 2e8m h LYS 46 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2e8m h LYS 46 Cb 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2e8m h LYS 46 CO -0.42 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.36 2e8m n GLY 47 N -1.57 1.73 3.79 3.86 0.00 0.48 -5.10 105.19 108.38 2e8m n GLY 47 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.74 -5.01 117.98 116.35 2e8m s PHE 48 Ca 0.00 1.75 -0.15 0.00 0.12 0.00 0.00 56.93 58.65 2e8m s PHE 48 Cb 0.00 -2.91 -0.01 0.00 -0.57 0.00 0.00 43.02 39.54 2e8m s PHE 48 CO 0.00 0.17 0.56 0.27 -0.10 0.00 0.00 175.22 176.12 2e8m n ASN 49 N 0.40 -1.22 0.20 1.36 6.94 -1.26 -4.62 115.26 117.07 2e8m n ASN 49 Ca 0.03 0.52 0.06 0.00 -0.02 0.00 0.00 54.58 55.17 2e8m n ASN 49 Cb 0.51 -1.24 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 -0.75 0.00 0.00 -0.53 0.13 -1.99 -2.80 132.00 126.07 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 0.40 0.32 -0.04 0.28 -0.23 0.00 0.00 178.00 178.73 2e8m h VAL 51 N 0.00 0.33 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 -1.99 0.41 0.02 0.00 0.00 177.57 176.10 2e8m n THR 52 N -3.47 1.64 0.30 2.57 -1.04 -1.07 -3.63 114.28 109.60 2e8m n THR 52 Ca -0.02 -0.47 0.18 0.00 -2.04 0.00 0.00 64.05 61.70 2e8m n THR 52 Cb 0.16 -1.76 0.97 0.00 -1.82 0.00 0.00 70.33 67.88 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 -0.30 0.21 0.23 12.58 2.07 -1.36 0.24 116.25 129.92 2e8m h VAL 53 Ca -0.47 -0.22 -0.35 0.00 0.82 0.00 0.00 66.70 66.48 2e8m h VAL 53 Cb 1.80 1.18 0.03 0.00 -1.52 0.00 0.00 31.29 32.77 2e8m h VAL 53 CO -0.07 0.03 -1.61 0.78 0.02 0.00 0.00 177.57 176.72 2e8m h ASN 54 N 0.00 0.75 0.05 0.57 2.35 -1.44 -2.15 115.58 115.71 2e8m h ASN 54 Ca -0.00 -0.93 -0.16 0.00 -0.55 0.00 0.00 56.30 54.66 2e8m h ASN 54 Cb 0.17 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.31 2e8m h ASN 54 CO 0.00 1.75 -0.64 0.28 -1.65 0.00 0.00 177.43 177.17 2e8m h SER 55 N 0.13 0.48 -0.44 5.81 0.02 -1.49 -3.26 113.55 114.79 2e8m h SER 55 Ca -0.30 -0.83 -0.03 0.00 -0.84 0.00 0.00 61.79 59.79 2e8m h SER 55 Cb 2.14 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 64.51 2e8m h SER 55 CO 0.23 1.26 0.04 0.18 -1.14 0.00 0.00 176.83 177.40 2e8m n LEU 56 N -4.21 4.56 -1.31 5.07 4.77 0.80 -4.07 117.00 122.60 2e8m n LEU 56 Ca -0.11 -2.32 0.12 0.00 -0.03 0.00 0.00 56.01 53.66 2e8m n LEU 56 Cb 0.71 -0.65 0.30 0.00 -2.33 0.00 0.00 43.42 41.46 2e8m n LEU 56 CO 0.47 0.56 0.76 0.61 -1.33 0.00 0.00 177.39 178.45 2e8m n GLY 57 N 0.36 2.40 0.00 -0.72 0.00 -0.81 -4.20 105.19 102.22 2e8m n GLY 57 Ca 0.22 -0.78 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 1.61 0.00 -3.25 1.61 0.24 -1.26 -4.54 118.33 112.74 2e8m n VAL 58 Ca 0.24 -0.11 -0.39 0.00 -2.04 0.00 0.00 64.34 62.04 2e8m n VAL 58 Cb 0.62 0.49 -0.06 0.00 -1.47 0.00 0.00 33.84 33.41 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 -3.11 4.47 0.85 1.34 1.43 -1.26 -4.70 118.68 117.70 2e8m s LEU 59 Ca -0.01 1.19 -0.11 0.00 -1.03 0.00 0.00 54.13 54.17 2e8m s LEU 59 Cb 0.02 -2.89 0.10 0.00 0.03 0.00 0.00 46.19 43.45 2e8m s LEU 59 CO 0.14 0.19 1.10 0.54 0.23 0.00 0.00 176.35 178.54 2e8m s ASN 60 N -0.65 3.98 0.35 2.29 2.20 -1.26 -4.22 114.94 117.63 2e8m s ASN 60 Ca 0.30 1.39 0.11 0.00 -0.94 0.00 0.00 52.86 53.72 2e8m s ASN 60 Cb -0.19 -2.10 0.89 0.00 -2.00 0.00 0.00 41.25 37.86 2e8m s ASN 60 CO 0.18 -2.30 1.81 1.23 -2.94 0.00 0.00 177.10 175.07 2e8m h GLY 61 N -1.32 1.39 0.98 0.45 0.00 -1.67 -0.03 103.07 102.88 2e8m h GLY 61 Ca -0.48 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 46.53 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 -0.18 3.60 0.00 -1.61 0.80 119.26 122.72 2e8m h ALA 62 Ca 0.54 -0.18 0.00 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 19.13 2e8m h ALA 62 CO -0.29 -0.92 0.11 1.96 0.00 0.00 0.00 179.25 180.10 2e8m h GLN 63 N -0.81 0.22 -0.74 0.00 1.08 -1.69 -2.31 115.11 110.86 2e8m h GLN 63 Ca -0.08 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.16 2e8m h GLN 63 Cb 0.61 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.95 2e8m h GLN 63 CO 0.13 0.15 0.49 1.25 -0.95 0.00 0.00 178.83 179.90 2e8m h LEU 64 N 0.23 0.74 -1.71 1.46 6.46 -0.98 0.38 115.31 121.89 2e8m h LEU 64 Ca 0.07 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 2e8m h LEU 64 Cb -0.02 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.74 2e8m h LEU 64 CO -0.02 0.49 -0.08 -0.26 -0.62 0.00 0.00 178.44 177.95 2e8m h PHE 65 N 0.85 0.00 0.00 1.25 -1.00 -0.31 -2.47 116.94 115.26 2e8m h PHE 65 Ca 0.31 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.90 2e8m h PHE 65 Cb 0.15 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.69 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 -3.95 2.17 0.87 -0.47 -3.46 113.55 108.71 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 0.45 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 62.49 2e8m h SER 66 CO 0.01 0.91 0.61 -0.76 -0.53 0.00 0.00 176.83 177.07 2e8m s LEU 67 N -6.69 4.20 0.00 2.23 1.43 -0.93 -5.04 118.68 113.88 2e8m s LEU 67 Ca 0.01 2.66 0.04 0.00 -1.03 0.00 0.00 54.13 55.81 2e8m s LEU 67 Cb 0.10 -3.92 0.04 0.00 0.03 0.00 0.00 46.19 42.44 2e8m s LEU 67 CO 0.81 -0.87 0.33 -0.46 0.23 0.00 0.00 176.35 176.39 2e8m n ASN 68 N 0.09 2.78 0.13 2.29 6.94 -1.26 -4.87 115.26 121.35 2e8m n ASN 68 Ca 0.04 -2.85 0.19 0.00 -0.02 0.00 0.00 54.58 51.93 2e8m n ASN 68 Cb 0.44 0.02 0.77 0.00 -2.36 0.00 0.00 39.78 38.64 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 0.74 116.57 115.17 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 -0.06 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 1.82 -1.94 -2.54 116.42 117.16 2e8m h ASP 70 Ca 0.16 -0.05 0.13 0.00 -0.39 0.00 0.00 57.03 56.88 2e8m h ASP 70 Cb 0.84 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 40.76 2e8m h ASP 70 CO -0.00 0.56 0.39 -0.33 -1.61 0.00 0.00 179.24 178.25 2e8m h GLU 71 N -1.00 0.57 -0.18 0.28 4.39 -1.85 0.39 114.58 117.18 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 0.11 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2e8m h GLU 71 CO -0.00 0.38 -0.40 -0.07 -1.16 0.00 0.00 179.01 177.76 2e8m h LEU 72 N 0.59 0.43 -1.24 1.33 3.38 -1.02 -2.30 115.31 116.48 2e8m h LEU 72 Ca 0.42 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 2e8m h LEU 72 Cb 0.57 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2e8m h LEU 72 CO -0.34 0.79 -0.19 -0.09 0.09 0.00 0.00 178.44 178.69 2e8m h ARG 73 N 0.34 0.00 0.05 1.13 2.43 -0.55 -1.86 114.38 115.93 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 0.85 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2e8m h ARG 73 CO 0.07 0.19 -0.46 1.79 -1.51 0.00 0.00 179.97 180.06 2e8m h THR 74 N 0.00 1.59 -0.45 0.20 1.35 -0.71 -3.35 112.91 111.54 2e8m h THR 74 Ca -0.00 -2.40 -0.07 0.00 -0.55 0.00 0.00 66.41 63.39 2e8m h THR 74 Cb 0.68 3.20 -0.02 0.00 -1.73 0.00 0.00 68.15 70.28 2e8m h THR 74 CO 0.03 0.63 0.01 1.62 -0.25 0.00 0.00 175.52 177.56 2e8m h VAL 75 N -0.75 1.23 -3.60 6.82 3.04 -1.41 -3.45 116.25 118.13 2e8m h VAL 75 Ca -0.09 -0.94 -0.12 0.00 -1.01 0.00 0.00 66.70 64.54 2e8m h VAL 75 Cb 1.29 0.88 -0.18 0.00 -2.01 0.00 0.00 31.29 31.26 2e8m h VAL 75 CO 0.04 0.33 -0.43 0.00 -1.01 0.00 0.00 177.57 176.50 2e8m h PRO 77 N 3.57 0.00 -0.79 0.00 0.13 -1.81 -2.70 132.00 130.40 2e8m h PRO 77 Ca -0.32 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.67 2e8m h PRO 77 Cb 1.19 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 2e8m h PRO 77 CO 0.48 0.06 0.18 0.39 -0.23 0.00 0.00 178.00 178.88 2e8m n GLU 78 N -3.20 3.29 0.35 0.86 -0.58 -1.26 -4.57 120.64 115.53 2e8m n GLU 78 Ca 0.00 -2.38 -0.19 0.00 -0.42 0.00 0.00 57.16 54.17 2e8m n GLU 78 Cb 0.32 -2.03 -0.10 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 3.36 -1.27 0.41 0.62 0.00 -1.53 0.20 103.07 104.86 2e8m h GLY 79 Ca 0.17 0.56 0.22 0.00 0.00 0.00 0.00 47.33 48.29 2e8m h GLY 79 CO 0.55 -0.40 0.58 0.00 0.00 0.00 0.00 176.54 177.26 2e8m h ALA 80 N -0.95 2.70 0.10 3.60 0.00 -1.81 0.33 119.26 123.23 2e8m h ALA 80 Ca -0.08 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.55 2e8m h ALA 80 Cb 0.90 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2e8m h ALA 80 CO 0.01 -0.98 -1.18 0.00 0.00 0.00 0.00 179.25 177.11 2e8m h ARG 81 N 0.00 0.21 -0.00 0.00 2.47 -1.68 -3.14 114.38 112.23 2e8m h ARG 81 Ca 0.37 -0.35 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 2e8m h ARG 81 Cb 1.52 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.97 2e8m h ARG 81 CO -0.00 1.17 -0.10 0.28 0.56 0.00 0.00 179.97 181.87 2e8m h VAL 82 N 0.06 1.59 -0.78 2.04 2.07 0.26 -3.24 116.25 118.24 2e8m h VAL 82 Ca -0.10 -1.86 0.12 0.00 0.82 0.00 0.00 66.70 65.68 2e8m h VAL 82 Cb 1.92 2.80 -0.08 0.00 -1.52 0.00 0.00 31.29 34.41 2e8m h VAL 82 CO 0.19 0.49 0.39 0.22 0.02 0.00 0.00 177.57 178.88 2e8m h TYR 83 N -0.65 0.69 0.00 1.57 3.20 -0.76 0.27 116.97 121.28 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 0.86 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 2e8m h TYR 83 CO 0.19 0.19 -0.00 0.77 -1.64 0.00 0.00 178.16 177.67 2e8m h SER 84 N 0.60 0.00 0.99 -2.11 0.02 -1.62 0.29 113.55 111.72 2e8m h SER 84 Ca 0.41 0.00 -0.05 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 -0.33 0.00 -1.04 1.56 -1.14 0.00 0.00 176.83 175.89 2e8m h GLN 85 N 0.00 0.00 0.00 3.45 1.08 -0.54 -3.35 115.11 115.74 2e8m h GLN 85 Ca -0.00 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 56.92 2e8m h GLN 85 Cb 0.01 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.39 2e8m h GLN 85 CO 0.00 0.09 -1.67 0.82 -0.95 0.00 0.00 178.83 177.12 2e8m h ILE 86 N 0.00 0.87 -0.29 2.54 2.04 0.21 -3.35 117.51 119.54 2e8m h ILE 86 Ca -0.04 -2.72 0.01 0.00 1.00 0.00 0.00 64.86 63.11 2e8m h ILE 86 Cb 1.17 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 39.66 2e8m h ILE 86 CO 0.01 0.50 0.19 0.00 0.00 0.00 0.00 178.15 178.85 2e8m h THR 87 N 0.00 1.05 0.00 -0.27 1.03 -0.66 -0.41 112.91 113.65 2e8m h THR 87 Ca -0.27 -0.12 -0.05 0.00 -0.01 0.00 0.00 66.41 65.96 2e8m h THR 87 Cb 1.99 0.66 -0.01 0.00 -1.07 0.00 0.00 68.15 69.73 2e8m h THR 87 CO 0.08 0.07 -0.23 1.62 -0.01 0.00 0.00 175.52 177.04 2e8m h VAL 88 N 0.36 0.50 0.01 0.00 3.04 -1.71 -2.70 116.25 115.74 2e8m h VAL 88 Ca 0.11 -1.26 -0.05 0.00 -1.01 0.00 0.00 66.70 64.50 2e8m h VAL 88 Cb 0.00 1.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 2e8m h VAL 88 CO -0.02 0.23 -0.19 1.56 -1.01 0.00 0.00 177.57 178.13 2e8m h GLN 89 N 0.00 0.11 -0.76 4.17 1.08 -1.24 -3.14 115.11 115.33 2e8m h GLN 89 Ca -0.00 -0.13 -0.02 0.00 -1.45 0.00 0.00 58.65 57.05 2e8m h GLN 89 Cb 0.87 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 28.31 2e8m h GLN 89 CO 0.03 0.94 0.40 0.87 -0.95 0.00 0.00 178.83 180.11 2e8m h LYS 90 N -0.66 1.07 0.00 1.46 1.57 -1.46 -1.86 116.57 116.69 2e8m h LYS 90 Ca -0.03 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2e8m h LYS 90 Cb 1.01 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 2e8m h LYS 90 CO 0.04 0.81 -0.02 0.00 -0.57 0.00 0.00 179.45 179.70 2e8m h ALA 91 N 1.20 1.66 -0.08 3.86 0.00 -1.58 0.60 119.26 124.92 2e8m h ALA 91 Ca 0.26 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.96 2e8m h ALA 91 Cb 0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2e8m h ALA 91 CO -0.04 0.03 -0.74 0.00 0.00 0.00 0.00 179.25 178.50 2e8m h ALA 92 N 1.98 0.56 0.00 0.00 0.00 -1.28 -3.35 119.26 117.17 2e8m h ALA 92 Ca -0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 2e8m h ALA 92 Cb 0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2e8m h ALA 92 CO 0.00 0.76 -0.10 -0.07 0.00 0.00 0.00 179.25 179.84 2e8m h LEU 93 N 0.30 0.00 -2.84 0.00 3.38 -1.11 -3.49 115.31 111.56 2e8m h LEU 93 Ca -0.03 -0.19 -0.30 0.00 0.09 0.00 0.00 57.88 57.44 2e8m h LEU 93 Cb 1.32 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.18 2e8m h LEU 93 CO 0.13 0.65 -0.77 -1.20 0.09 0.00 0.00 178.44 177.34 2e8m n SER 94 N -4.72 -6.20 -3.21 -0.43 7.64 0.11 -4.98 113.62 101.84 2e8m n SER 94 Ca -0.04 -0.75 -0.24 0.00 1.01 0.00 0.00 58.87 58.85 2e8m n SER 94 Cb 0.14 -4.26 -0.07 0.00 -1.01 0.00 0.00 64.21 59.01 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 -1.53 3.04 3.55 0.23 0.00 -1.26 -5.08 105.19 104.15 2e8m n GLY 95 Ca -0.08 -1.67 -0.37 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.33 2.61 0.26 1.61 0.04 -1.26 -4.92 135.00 132.01 2e8m s PRO 96 Ca 0.36 0.49 -0.06 0.00 0.04 0.00 0.00 61.00 61.82 2e8m s PRO 96 Cb 0.18 -4.49 -0.01 0.00 0.04 0.00 0.00 34.50 30.22 2e8m s PRO 96 CO -0.10 -2.83 0.37 -1.12 0.04 0.00 0.00 177.00 173.36 2e8m s SER 97 N 8.13 0.30 -1.15 6.66 0.01 -1.26 -4.96 113.70 121.43 2e8m s SER 97 Ca 0.68 -1.23 -0.04 0.00 1.31 0.00 0.00 55.95 56.66 2e8m s SER 97 Cb -0.12 0.55 -0.03 0.00 0.21 0.00 0.00 66.02 66.63 2e8m s SER 97 CO 0.18 -1.09 0.90 -0.24 0.41 0.00 0.00 173.24 173.39 2e8m n SER 98 N -0.65 -4.00 0.00 2.44 2.88 -1.26 -5.27 113.62 107.76 2e8m n SER 98 Ca 0.00 -0.72 0.00 0.00 -1.33 0.00 0.00 58.87 56.82 2e8m n SER 98 Cb 0.63 -4.83 0.00 0.00 -0.75 0.00 0.00 64.21 59.26 2e8m n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42