#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 2.90 -4.70 1.61 3.41 -1.26 -5.12 113.62 110.46 2e8m n SER 2 Ca 0.00 -2.53 -0.39 0.00 -0.26 0.00 0.00 58.87 55.69 2e8m n SER 2 Cb 0.00 0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 2e8m n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2e8m s SER 3 N -3.00 6.68 -0.51 4.04 1.04 -1.26 -5.04 113.70 115.65 2e8m s SER 3 Ca 0.03 0.81 -0.10 0.00 0.48 0.00 0.00 55.95 57.16 2e8m s SER 3 Cb -0.00 -2.31 0.13 0.00 0.10 0.00 0.00 66.02 63.94 2e8m s SER 3 CO 0.02 -0.09 0.40 -0.83 0.98 0.00 0.00 173.24 173.71 2e8m s GLY 4 N 0.85 2.10 -0.08 7.32 0.00 -1.26 -4.75 107.32 111.50 2e8m s GLY 4 Ca 0.27 -2.62 0.03 0.00 0.00 0.00 0.00 44.72 42.40 2e8m s GLY 4 CO 0.11 1.13 0.88 -1.14 0.00 0.00 0.00 173.10 174.08 2e8m n SER 5 N 4.83 -0.80 -3.18 1.64 3.41 -1.26 -5.07 113.62 113.19 2e8m n SER 5 Ca -0.07 -1.54 0.02 0.00 -0.26 0.00 0.00 58.87 57.02 2e8m n SER 5 Cb 0.41 0.30 -0.01 0.00 -0.26 0.00 0.00 64.21 64.65 2e8m n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2e8m s SER 6 N -0.72 -1.52 0.02 4.04 0.01 -1.26 -5.01 113.70 109.26 2e8m s SER 6 Ca 0.02 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2e8m s SER 6 Cb 0.11 1.94 0.00 0.00 0.21 0.00 0.00 66.02 68.28 2e8m s SER 6 CO -0.03 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.02 2e8m n GLY 7 N 4.72 -0.58 0.35 3.44 0.00 -1.26 -4.96 105.19 106.90 2e8m n GLY 7 Ca 0.09 0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.41 2e8m n GLY 7 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2e8m h THR 8 N 0.00 0.97 -3.72 2.61 2.02 -2.02 -3.31 112.91 109.47 2e8m h THR 8 Ca 0.00 -0.20 -0.76 0.00 0.77 0.00 0.00 66.41 66.22 2e8m h THR 8 Cb 0.00 0.33 -0.29 0.00 -1.74 0.00 0.00 68.15 66.45 2e8m h THR 8 CO 0.00 0.11 -0.06 -0.63 0.37 0.00 0.00 175.52 175.30 2e8m s ILE 9 N -5.54 4.96 0.00 3.11 1.09 -1.26 -4.89 121.20 118.66 2e8m s ILE 9 Ca -0.09 -2.64 0.00 0.00 -1.10 0.00 0.00 60.65 56.82 2e8m s ILE 9 Cb 0.19 -4.11 0.00 0.00 -1.06 0.00 0.00 42.46 37.49 2e8m s ILE 9 CO 0.76 -0.98 0.00 0.61 -0.10 0.00 0.00 174.94 175.23 2e8m n GLY 10 N 3.80 -0.19 3.77 6.18 0.00 -1.25 -5.04 105.19 112.47 2e8m n GLY 10 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 3.01 0.07 1.61 3.52 -1.26 -4.94 118.95 120.96 2e8m s ARG 11 Ca 0.00 1.48 0.00 0.00 -0.13 0.00 0.00 55.73 57.08 2e8m s ARG 11 Cb 0.00 -1.97 0.00 0.00 -1.56 0.00 0.00 34.95 31.42 2e8m s ARG 11 CO 0.00 -1.10 0.00 0.45 -0.81 0.00 0.00 175.30 173.84 2e8m n SER 12 N -1.98 -0.37 -4.68 -2.12 2.88 -1.26 -5.09 113.62 101.00 2e8m n SER 12 Ca 0.11 0.12 -0.42 0.00 -1.33 0.00 0.00 58.87 57.35 2e8m n SER 12 Cb 0.52 0.56 -0.03 0.00 -0.75 0.00 0.00 64.21 64.51 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 -2.00 3.44 0.00 -1.46 0.00 -1.26 -4.63 121.76 115.86 2e8m s ALA 13 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.21 2e8m s ALA 13 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2e8m s ALA 13 CO 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 175.76 175.15 2e8m n ALA 14 N 5.05 0.00 -2.14 0.00 0.00 -1.26 -5.15 120.51 117.01 2e8m n ALA 14 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.29 2e8m n ALA 14 Cb 0.49 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.96 2e8m n ALA 14 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2e8m s GLN 15 N -1.80 2.79 0.02 0.00 -2.07 -1.26 -5.12 119.66 112.22 2e8m s GLN 15 Ca 0.00 -0.67 0.05 0.00 -1.82 0.00 0.00 55.36 52.92 2e8m s GLN 15 Cb 0.00 -2.53 -0.02 0.00 -1.09 0.00 0.00 33.01 29.37 2e8m s GLN 15 CO 0.00 -0.49 -0.15 0.21 -1.32 0.00 0.00 175.29 173.54 2e8m s LYS 16 N -4.65 1.10 -0.22 9.60 2.47 -1.26 -5.12 119.74 121.66 2e8m s LYS 16 Ca 0.53 -0.67 -0.03 0.00 -1.56 0.00 0.00 55.97 54.25 2e8m s LYS 16 Cb -0.10 -1.10 0.07 0.00 -1.46 0.00 0.00 37.83 35.24 2e8m s LYS 16 CO 0.38 0.29 0.06 0.21 0.16 0.00 0.00 175.35 176.45 2e8m s LYS 17 N -0.76 0.55 -0.25 4.03 2.20 -1.26 -5.12 119.74 119.13 2e8m s LYS 17 Ca 0.04 -0.52 -0.09 0.00 -0.36 0.00 0.00 55.97 55.04 2e8m s LYS 17 Cb -0.07 -1.95 -0.04 0.00 -1.51 0.00 0.00 37.83 34.26 2e8m s LYS 17 CO 0.00 -0.75 0.13 -0.06 -0.36 0.00 0.00 175.35 174.31 2e8m s PHE 18 N 1.87 3.21 -0.28 4.03 0.08 -1.26 -5.06 117.98 120.57 2e8m s PHE 18 Ca 0.02 -0.01 -0.19 0.00 0.12 0.00 0.00 56.93 56.87 2e8m s PHE 18 Cb -0.17 -2.27 0.08 0.00 -0.57 0.00 0.00 43.02 40.09 2e8m s PHE 18 CO -0.15 -0.11 0.72 -1.01 -0.10 0.00 0.00 175.22 174.58 2e8m s HIS 19 N 1.34 -0.93 0.13 0.36 3.76 -1.26 -5.18 115.29 113.51 2e8m s HIS 19 Ca 0.06 1.99 0.05 0.00 -0.15 0.00 0.00 55.06 57.01 2e8m s HIS 19 Cb -0.15 0.49 -0.04 0.00 1.11 0.00 0.00 32.58 33.99 2e8m s HIS 19 CO 0.06 -0.46 -0.13 0.14 -0.85 0.00 0.00 174.74 173.51 2e8m s VAL 20 N 1.13 1.27 0.21 -0.90 -7.23 -1.26 -5.13 120.40 108.49 2e8m s VAL 20 Ca -0.06 -1.78 -0.30 0.00 -1.81 0.00 0.00 61.98 58.03 2e8m s VAL 20 Cb -0.05 -1.58 -0.09 0.00 0.56 0.00 0.00 36.38 35.22 2e8m s VAL 20 CO -0.12 -0.50 1.29 -2.16 -0.31 0.00 0.00 175.10 173.31 2e8m s PRO 21 N -2.90 4.40 -0.23 4.82 0.04 -1.26 -4.40 135.00 135.47 2e8m s PRO 21 Ca 0.10 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 63.12 2e8m s PRO 21 Cb -0.03 -3.19 0.03 0.00 0.04 0.00 0.00 34.50 31.34 2e8m s PRO 21 CO 0.02 -0.22 0.13 0.54 0.04 0.00 0.00 177.00 177.52 2e8m n ARG 22 N 2.43 -3.98 -0.96 4.56 1.74 -1.26 -4.97 116.66 114.22 2e8m n ARG 22 Ca 0.05 3.08 -0.29 0.00 -0.77 0.00 0.00 57.85 59.93 2e8m n ARG 22 Cb 0.43 -5.04 0.20 0.00 -1.02 0.00 0.00 32.46 27.02 2e8m n ARG 22 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2e8m s GLN 23 N -1.09 0.07 -0.33 5.56 -2.07 -1.26 -5.01 119.66 115.52 2e8m s GLN 23 Ca -0.15 0.67 0.15 0.00 -1.82 0.00 0.00 55.36 54.21 2e8m s GLN 23 Cb 0.01 -1.68 0.44 0.00 -1.09 0.00 0.00 33.01 30.69 2e8m s GLN 23 CO 0.76 -3.02 1.31 0.09 -1.32 0.00 0.00 175.29 173.11 2e8m n ASN 24 N -4.40 -0.39 -4.25 12.60 3.02 -1.26 -5.12 115.26 115.46 2e8m n ASN 24 Ca 0.05 -2.30 -0.21 0.00 -0.03 0.00 0.00 54.58 52.09 2e8m n ASN 24 Cb 0.56 0.30 -0.12 0.00 -0.61 0.00 0.00 39.78 39.91 2e8m n ASN 24 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2e8m s VAL 25 N -1.31 1.49 0.87 2.41 -7.23 -1.26 -5.15 120.40 110.22 2e8m s VAL 25 Ca 0.19 -1.58 -0.11 0.00 -1.81 0.00 0.00 61.98 58.67 2e8m s VAL 25 Cb 0.41 -1.47 0.11 0.00 0.56 0.00 0.00 36.38 35.99 2e8m s VAL 25 CO -0.07 -0.22 1.09 -2.16 -0.31 0.00 0.00 175.10 173.42 2e8m s PRO 26 N -2.18 1.48 0.22 4.82 0.04 -1.26 -5.01 135.00 133.11 2e8m s PRO 26 Ca 0.06 0.90 -0.28 0.00 0.04 0.00 0.00 61.00 61.73 2e8m s PRO 26 Cb -0.08 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 2e8m s PRO 26 CO 0.04 -2.11 0.88 0.08 0.04 0.00 0.00 177.00 175.93 2e8m s VAL 27 N -2.93 4.20 -0.00 -0.36 1.01 -1.26 -5.06 120.40 116.00 2e8m s VAL 27 Ca 0.63 1.92 -0.02 0.00 0.00 0.00 0.00 61.98 64.51 2e8m s VAL 27 Cb -0.18 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2e8m s VAL 27 CO 0.57 0.48 0.15 -0.63 0.00 0.00 0.00 175.10 175.67 2e8m s ILE 28 N -1.20 5.21 -0.02 2.22 -1.09 -1.26 -5.11 121.20 119.94 2e8m s ILE 28 Ca 0.40 -0.25 -0.21 0.00 -2.23 0.00 0.00 60.65 58.35 2e8m s ILE 28 Cb -0.24 -3.43 0.04 0.00 -1.58 0.00 0.00 42.46 37.25 2e8m s ILE 28 CO 0.29 0.32 0.45 0.20 -1.23 0.00 0.00 174.94 174.98 2e8m s ASN 29 N -1.91 -0.37 0.20 3.58 0.01 -1.26 -4.99 114.94 110.20 2e8m s ASN 29 Ca 0.26 0.31 0.09 0.00 -0.71 0.00 0.00 52.86 52.81 2e8m s ASN 29 Cb -0.12 0.40 -0.04 0.00 0.41 0.00 0.00 41.25 41.90 2e8m s ASN 29 CO 0.18 -0.53 -0.19 0.27 -1.51 0.00 0.00 177.10 175.32 2e8m s ILE 30 N -1.38 2.01 0.38 0.60 -4.36 -1.26 -5.01 121.20 112.18 2e8m s ILE 30 Ca -0.12 -2.07 0.05 0.00 -0.26 0.00 0.00 60.65 58.25 2e8m s ILE 30 Cb -0.03 -2.00 -0.03 0.00 1.25 0.00 0.00 42.46 41.65 2e8m s ILE 30 CO 0.06 -0.34 0.18 0.42 0.24 0.00 0.00 174.94 175.49 2e8m s THR 31 N -2.21 0.38 0.08 8.37 -4.23 -1.26 -4.88 115.64 111.88 2e8m s THR 31 Ca 0.20 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.03 2e8m s THR 31 Cb -0.05 -2.39 0.34 0.00 1.34 0.00 0.00 72.50 71.75 2e8m s THR 31 CO 0.09 0.00 1.98 1.88 -0.54 0.00 0.00 174.62 178.02 2e8m h TYR 32 N 1.91 0.00 -0.82 3.99 0.05 -1.95 -2.46 116.97 117.69 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 1.57 0.00 -0.51 -0.25 -1.05 0.00 0.00 178.16 177.92 2e8m n ASP 33 N -2.74 5.43 -4.99 3.88 9.92 -1.26 -3.22 116.55 123.56 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 0.17 -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 -3.28 5.65 0.23 -2.24 0.01 -0.93 -5.00 113.70 108.15 2e8m s SER 34 Ca 0.53 -0.24 -0.00 0.00 1.31 0.00 0.00 55.95 57.55 2e8m s SER 34 Cb 0.43 -0.88 -0.04 0.00 0.21 0.00 0.00 66.02 65.74 2e8m s SER 34 CO 0.02 -0.78 0.42 0.42 0.41 0.00 0.00 173.24 173.73 2e8m s THR 35 N -2.42 5.19 -1.19 1.44 -4.23 -1.26 -3.16 115.64 110.00 2e8m s THR 35 Ca 0.53 -0.40 0.14 0.00 -1.18 0.00 0.00 61.69 60.79 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 -0.24 1.43 -0.81 -0.54 0.00 0.00 174.62 174.81 2e8m n PRO 36 N -0.87 0.09 0.00 3.99 -0.04 -1.26 -2.26 135.00 134.66 2e8m n PRO 36 Ca -0.05 0.21 0.01 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 -1.91 -0.04 0.00 0.00 175.50 173.55 2e8m n GLU 37 N -1.40 0.64 0.09 0.54 4.07 -1.26 -4.03 120.64 119.29 2e8m n GLU 37 Ca 0.05 0.09 -0.17 0.00 -0.06 0.00 0.00 57.16 57.07 2e8m n GLU 37 Cb 0.14 -1.70 -0.11 0.00 -0.06 0.00 0.00 31.44 29.72 2e8m n GLU 37 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 2e8m h ASP 38 N 0.00 0.60 -0.75 4.31 3.32 -1.83 -3.27 116.42 118.80 2e8m h ASP 38 Ca -0.20 -0.56 0.05 0.00 0.02 0.00 0.00 57.03 56.33 2e8m h ASP 38 Cb 1.58 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.89 2e8m h ASP 38 CO 0.03 1.39 0.49 0.58 -1.72 0.00 0.00 179.24 180.02 2e8m h VAL 39 N 0.18 1.08 -0.72 -1.35 2.07 -1.71 -1.72 116.25 114.08 2e8m h VAL 39 Ca -0.14 -0.30 0.11 0.00 0.82 0.00 0.00 66.70 67.20 2e8m h VAL 39 Cb 1.84 0.14 -0.08 0.00 -1.52 0.00 0.00 31.29 31.66 2e8m h VAL 39 CO 0.20 0.16 0.32 0.50 0.02 0.00 0.00 177.57 178.77 2e8m h LYS 40 N 0.87 0.51 -0.03 1.57 3.64 -1.72 -0.85 116.57 120.55 2e8m h LYS 40 Ca 0.31 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.44 2e8m h LYS 40 Cb 0.13 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2e8m h LYS 40 CO -0.10 0.33 -0.89 1.15 -2.27 0.00 0.00 179.45 177.67 2e8m h THR 41 N 0.52 1.38 -0.32 1.00 2.02 -1.53 -2.83 112.91 113.15 2e8m h THR 41 Ca 0.37 -2.33 0.02 0.00 0.77 0.00 0.00 66.41 65.24 2e8m h THR 41 Cb 0.47 2.32 -0.02 0.00 -1.74 0.00 0.00 68.15 69.18 2e8m h THR 41 CO -0.32 0.70 0.21 -0.25 0.37 0.00 0.00 175.52 176.23 2e8m h TRP 42 N 0.28 0.36 0.12 3.16 7.01 -0.44 0.22 115.95 126.66 2e8m h TRP 42 Ca -0.07 0.01 -0.24 0.00 2.11 0.00 0.00 58.89 60.70 2e8m h TRP 42 Cb 1.52 -0.12 0.02 0.00 -2.10 0.00 0.00 29.16 28.48 2e8m h TRP 42 CO 0.06 0.22 -1.00 -0.07 -2.79 0.00 0.00 178.44 174.86 2e8m h LEU 43 N 0.38 0.67 -0.38 0.65 3.38 -1.17 -3.10 115.31 115.73 2e8m h LEU 43 Ca 0.12 -0.87 -0.06 0.00 0.09 0.00 0.00 57.88 57.17 2e8m h LEU 43 Cb 0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2e8m h LEU 43 CO -0.03 1.47 -0.00 1.56 0.09 0.00 0.00 178.44 181.53 2e8m h GLN 44 N -0.04 0.68 -0.19 1.13 4.20 -1.19 -1.83 115.11 117.87 2e8m h GLN 44 Ca -0.16 -0.22 0.04 0.00 0.06 0.00 0.00 58.65 58.37 2e8m h GLN 44 Cb 1.73 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 29.41 2e8m h GLN 44 CO 0.19 0.78 -0.06 1.03 -0.67 0.00 0.00 178.83 180.10 2e8m h SER 45 N 0.50 -0.21 -0.04 1.46 0.87 -0.70 -0.37 113.55 115.06 2e8m h SER 45 Ca 0.11 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 2e8m h SER 45 Cb 0.47 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2e8m h SER 45 CO 0.02 -0.08 0.05 0.11 -0.53 0.00 0.00 176.83 176.40 2e8m h LYS 46 N -0.02 0.00 -0.21 2.24 1.79 -1.50 -3.46 116.57 115.42 2e8m h LYS 46 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2e8m h LYS 46 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 2e8m h LYS 46 CO -0.21 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.57 2e8m n GLY 47 N -1.32 0.51 3.77 3.86 0.00 -0.15 -5.11 105.19 106.74 2e8m n GLY 47 Ca -0.02 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.25 3.23 0.79 1.61 0.08 -0.71 -5.03 117.98 116.70 2e8m s PHE 48 Ca 0.00 0.15 -0.15 0.00 0.12 0.00 0.00 56.93 57.05 2e8m s PHE 48 Cb 0.00 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.76 2e8m s PHE 48 CO 0.00 0.53 0.65 0.27 -0.10 0.00 0.00 175.22 176.57 2e8m n ASN 49 N 0.97 -0.89 0.18 1.36 6.94 -1.26 -4.65 115.26 117.91 2e8m n ASN 49 Ca -0.12 0.53 0.03 0.00 -0.02 0.00 0.00 54.58 55.01 2e8m n ASN 49 Cb 0.52 -1.28 0.34 0.00 -2.36 0.00 0.00 39.78 37.00 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 -2.84 132.00 126.04 2e8m h PRO 50 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.41 -0.01 0.28 -0.23 0.00 0.00 178.00 178.86 2e8m h VAL 51 N 0.00 0.36 0.05 1.56 2.07 -2.00 -1.13 116.25 117.17 2e8m h VAL 51 Ca -0.00 -0.05 -0.33 0.00 0.82 0.00 0.00 66.70 67.14 2e8m h VAL 51 Cb 0.80 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 2e8m h VAL 51 CO 0.05 0.01 -1.82 0.41 0.02 0.00 0.00 177.57 176.25 2e8m n THR 52 N -3.59 1.63 0.32 2.57 -1.04 -1.08 -3.65 114.28 109.42 2e8m n THR 52 Ca -0.03 -0.36 0.20 0.00 -2.04 0.00 0.00 64.05 61.82 2e8m n THR 52 Cb 0.09 -1.85 1.05 0.00 -1.82 0.00 0.00 70.33 67.80 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 -0.50 0.16 0.19 12.58 2.07 -1.36 0.26 116.25 129.65 2e8m h VAL 53 Ca -0.44 -0.13 -0.27 0.00 0.82 0.00 0.00 66.70 66.68 2e8m h VAL 53 Cb 1.68 1.11 0.03 0.00 -1.52 0.00 0.00 31.29 32.58 2e8m h VAL 53 CO -0.11 0.01 -1.20 0.78 0.02 0.00 0.00 177.57 177.07 2e8m h ASN 54 N 0.00 0.63 1.15 0.57 2.35 -1.37 -0.56 115.58 118.35 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 0.10 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 2e8m h ASN 54 CO 0.00 1.57 -0.73 -1.28 -1.65 0.00 0.00 177.43 175.35 2e8m h SER 55 N -0.12 0.00 -0.31 5.81 0.87 -1.48 -3.24 113.55 115.08 2e8m h SER 55 Ca -0.22 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.28 2e8m h SER 55 Cb 1.90 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.83 2e8m h SER 55 CO 0.20 0.73 0.00 0.18 -0.53 0.00 0.00 176.83 177.41 2e8m n LEU 56 N -3.35 4.05 -1.11 2.23 4.77 0.86 -4.48 117.00 119.97 2e8m n LEU 56 Ca 0.01 -3.21 0.11 0.00 -0.03 0.00 0.00 56.01 52.89 2e8m n LEU 56 Cb 0.80 -0.58 0.21 0.00 -2.33 0.00 0.00 43.42 41.52 2e8m n LEU 56 CO 0.43 0.82 0.69 0.61 -1.33 0.00 0.00 177.39 178.61 2e8m n GLY 57 N -0.67 1.78 0.00 -0.72 0.00 -0.22 -4.24 105.19 101.12 2e8m n GLY 57 Ca 0.25 -0.70 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 1.41 0.00 -3.27 1.61 0.24 -1.26 -4.54 118.33 112.53 2e8m n VAL 58 Ca 0.19 -0.21 -0.39 0.00 -2.04 0.00 0.00 64.34 61.90 2e8m n VAL 58 Cb 0.58 0.65 -0.06 0.00 -1.47 0.00 0.00 33.84 33.54 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 -2.80 4.44 0.80 1.34 1.43 -1.26 -4.70 118.68 117.94 2e8m s LEU 59 Ca -0.00 1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 54.11 2e8m s LEU 59 Cb 0.02 -2.85 0.07 0.00 0.03 0.00 0.00 46.19 43.46 2e8m s LEU 59 CO 0.12 0.17 1.09 0.54 0.23 0.00 0.00 176.35 178.50 2e8m s ASN 60 N -0.49 4.40 0.36 2.29 2.20 -1.26 -4.23 114.94 118.21 2e8m s ASN 60 Ca 0.29 1.43 0.12 0.00 -0.94 0.00 0.00 52.86 53.76 2e8m s ASN 60 Cb -0.18 -2.17 0.92 0.00 -2.00 0.00 0.00 41.25 37.82 2e8m s ASN 60 CO 0.17 -2.04 1.81 1.23 -2.94 0.00 0.00 177.10 175.32 2e8m h GLY 61 N -1.14 1.34 0.99 0.45 0.00 -1.68 -0.37 103.07 102.66 2e8m h GLY 61 Ca -0.47 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 2e8m h GLY 61 CO 0.57 -0.04 -0.20 0.00 0.00 0.00 0.00 176.54 176.88 2e8m h ALA 62 N 1.62 -0.56 0.02 3.60 0.00 -1.61 0.34 119.26 122.68 2e8m h ALA 62 Ca 0.53 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 2e8m h ALA 62 Cb 1.06 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2e8m h ALA 62 CO -0.28 -0.80 -0.01 1.96 0.00 0.00 0.00 179.25 180.12 2e8m h GLN 63 N -0.57 -0.02 -0.86 0.00 1.08 -1.66 -2.54 115.11 110.55 2e8m h GLN 63 Ca -0.06 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.24 2e8m h GLN 63 Cb 0.44 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.81 2e8m h GLN 63 CO 0.09 0.03 0.55 1.25 -0.95 0.00 0.00 178.83 179.81 2e8m h LEU 64 N -0.07 0.74 -1.82 1.46 6.46 -1.06 0.16 115.31 121.19 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 0.06 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 39.86 2e8m h LEU 64 CO 0.00 0.44 -0.08 -0.26 -0.62 0.00 0.00 178.44 177.92 2e8m h PHE 65 N 0.82 0.00 0.00 1.25 -1.00 -0.52 -2.36 116.94 115.13 2e8m h PHE 65 Ca 0.40 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.99 2e8m h PHE 65 Cb 0.44 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.97 2e8m h PHE 65 CO -0.00 0.08 -0.89 1.03 -1.61 0.00 0.00 178.31 176.92 2e8m h SER 66 N 0.00 0.04 -3.65 2.17 0.87 -0.30 -3.45 113.55 109.24 2e8m h SER 66 Ca -0.00 -0.04 -0.51 0.00 -1.23 0.00 0.00 61.79 60.01 2e8m h SER 66 Cb 0.40 -0.01 0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2e8m h SER 66 CO 0.01 0.91 0.52 -0.76 -0.53 0.00 0.00 176.83 176.98 2e8m s LEU 67 N -7.06 4.49 0.00 2.23 1.43 -0.89 -5.03 118.68 113.85 2e8m s LEU 67 Ca -0.00 2.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.36 2e8m s LEU 67 Cb 0.11 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.71 2e8m s LEU 67 CO 0.81 -0.27 0.00 -0.46 0.23 0.00 0.00 176.35 176.66 2e8m n ASN 68 N 1.85 0.92 -0.15 2.29 0.23 -1.26 -4.77 115.26 114.37 2e8m n ASN 68 Ca 0.02 -1.02 0.23 0.00 -0.53 0.00 0.00 54.58 53.28 2e8m n ASN 68 Cb 0.45 -0.00 0.64 0.00 -2.08 0.00 0.00 39.78 38.79 2e8m n ASN 68 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2e8m h LYS 69 N 0.00 0.14 0.07 -3.83 3.64 -1.95 0.24 116.57 114.88 2e8m h LYS 69 Ca -0.00 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2e8m h LYS 69 Cb 0.01 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2e8m h LYS 69 CO 0.00 0.09 -0.03 0.22 -2.27 0.00 0.00 179.45 177.47 2e8m h ASP 70 N 0.15 -0.08 -0.63 4.20 3.58 -1.94 -2.43 116.42 119.27 2e8m h ASP 70 Ca 0.39 -0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.96 2e8m h ASP 70 Cb 1.33 0.02 -0.09 0.00 1.72 0.00 0.00 39.33 42.31 2e8m h ASP 70 CO -0.06 0.41 0.14 -0.33 -2.88 0.00 0.00 179.24 176.53 2e8m h GLU 71 N -1.02 0.27 -0.17 0.28 4.39 -1.82 0.13 114.58 116.63 2e8m h GLU 71 Ca -0.01 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 2e8m h GLU 71 Cb 0.07 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2e8m h GLU 71 CO 0.02 0.18 -0.22 -0.07 -1.16 0.00 0.00 179.01 177.75 2e8m h LEU 72 N 0.27 0.30 -0.85 1.33 3.38 -0.68 -2.06 115.31 117.00 2e8m h LEU 72 Ca 0.33 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 2e8m h LEU 72 Cb 0.50 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2e8m h LEU 72 CO -0.41 0.53 -0.38 -0.09 0.09 0.00 0.00 178.44 178.18 2e8m h ARG 73 N 0.27 0.00 0.20 1.13 2.43 -0.35 -1.67 114.38 116.39 2e8m h ARG 73 Ca 0.05 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.90 2e8m h ARG 73 Cb 0.55 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.14 2e8m h ARG 73 CO 0.04 0.38 -1.38 1.79 -1.51 0.00 0.00 179.97 179.29 2e8m h THR 74 N 0.00 1.30 -0.07 0.20 1.35 -0.31 -3.32 112.91 112.05 2e8m h THR 74 Ca -0.00 -2.63 -0.19 0.00 -0.55 0.00 0.00 66.41 63.04 2e8m h THR 74 Cb 0.94 2.90 -0.00 0.00 -1.73 0.00 0.00 68.15 70.26 2e8m h THR 74 CO 0.05 0.79 -0.76 1.62 -0.25 0.00 0.00 175.52 176.97 2e8m h VAL 75 N 0.20 1.38 -3.41 6.82 3.04 -1.36 -3.46 116.25 119.45 2e8m h VAL 75 Ca -0.22 -2.19 -0.11 0.00 -1.01 0.00 0.00 66.70 63.17 2e8m h VAL 75 Cb 2.06 2.16 -0.17 0.00 -2.01 0.00 0.00 31.29 33.33 2e8m h VAL 75 CO 0.26 0.66 -0.33 0.00 -1.01 0.00 0.00 177.57 177.15 2e8m h PRO 77 N 3.43 0.00 -0.79 0.00 0.13 -1.81 -2.70 132.00 130.26 2e8m h PRO 77 Ca -0.32 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.46 0.10 0.17 0.39 -0.23 0.00 0.00 178.00 178.90 2e8m n GLU 78 N -3.27 3.33 0.04 0.86 -0.58 -1.26 -4.50 120.64 115.26 2e8m n GLU 78 Ca 0.00 -2.40 -0.12 0.00 -0.42 0.00 0.00 57.16 54.22 2e8m n GLU 78 Cb 0.34 -2.03 -0.07 0.00 -0.57 0.00 0.00 31.44 29.10 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 3.38 0.00 1.36 0.62 0.00 -1.54 0.35 103.07 107.25 2e8m h GLY 79 Ca 0.17 -0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.56 2e8m h GLY 79 CO 0.54 0.00 0.26 0.00 0.00 0.00 0.00 176.54 177.34 2e8m h ALA 80 N 0.98 1.82 0.10 3.60 0.00 -1.79 0.21 119.26 124.19 2e8m h ALA 80 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 2e8m h ALA 80 Cb 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2e8m h ALA 80 CO -0.00 -0.37 -1.71 0.00 0.00 0.00 0.00 179.25 177.17 2e8m h ARG 81 N 0.00 0.22 -0.09 0.00 2.47 -1.69 -3.30 114.38 111.99 2e8m h ARG 81 Ca 0.10 -0.38 -0.07 0.00 -1.26 0.00 0.00 59.98 58.38 2e8m h ARG 81 Cb 0.62 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.08 2e8m h ARG 81 CO -0.00 1.05 -0.20 0.28 0.56 0.00 0.00 179.97 181.65 2e8m h VAL 82 N 0.06 1.40 -0.72 2.04 2.07 0.64 -3.23 116.25 118.51 2e8m h VAL 82 Ca -0.31 -1.52 0.11 0.00 0.82 0.00 0.00 66.70 65.80 2e8m h VAL 82 Cb 2.03 2.18 -0.08 0.00 -1.52 0.00 0.00 31.29 33.89 2e8m h VAL 82 CO 0.13 0.43 0.32 0.22 0.02 0.00 0.00 177.57 178.69 2e8m h TYR 83 N -0.17 0.56 -0.03 1.57 3.20 -0.83 0.27 116.97 121.54 2e8m h TYR 83 Ca -0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.91 2e8m h TYR 83 Cb 0.80 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 2e8m h TYR 83 CO 0.11 0.15 0.06 1.03 -1.64 0.00 0.00 178.16 177.87 2e8m h SER 84 N 0.52 0.00 0.87 -2.11 0.87 -1.63 0.28 113.55 112.35 2e8m h SER 84 Ca 0.37 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.87 2e8m h SER 84 Cb 0.48 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2e8m h SER 84 CO -0.33 0.00 -1.17 0.00 -0.53 0.00 0.00 176.83 174.80 2e8m n GLN 85 N -3.51 0.61 0.01 2.24 1.13 0.84 -4.12 117.38 114.58 2e8m n GLN 85 Ca -0.02 0.15 -0.14 0.00 -1.94 0.00 0.00 57.00 55.05 2e8m n GLN 85 Cb 0.14 -1.81 -0.14 0.00 0.11 0.00 0.00 30.24 28.54 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 0.88 -0.77 5.09 2.04 0.22 -3.36 117.51 121.62 2e8m h ILE 86 Ca -0.06 -2.65 0.09 0.00 1.00 0.00 0.00 64.86 63.24 2e8m h ILE 86 Cb 1.21 2.53 -0.05 0.00 -0.74 0.00 0.00 36.82 39.77 2e8m h ILE 86 CO 0.02 0.69 0.50 0.00 0.00 0.00 0.00 178.15 179.36 2e8m h THR 87 N 0.03 0.95 0.00 -0.27 1.03 -0.71 0.81 112.91 114.75 2e8m h THR 87 Ca -0.30 -0.24 -0.06 0.00 -0.01 0.00 0.00 66.41 65.80 2e8m h THR 87 Cb 2.01 0.18 -0.01 0.00 -1.07 0.00 0.00 68.15 69.26 2e8m h THR 87 CO 0.10 0.13 -0.26 1.62 -0.01 0.00 0.00 175.52 177.10 2e8m h VAL 88 N 0.71 0.67 -0.00 0.00 3.04 -1.72 -2.45 116.25 116.51 2e8m h VAL 88 Ca 0.35 -1.18 -0.02 0.00 -1.01 0.00 0.00 66.70 64.84 2e8m h VAL 88 Cb 0.43 1.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 2e8m h VAL 88 CO -0.13 0.26 -0.09 1.56 -1.01 0.00 0.00 177.57 178.16 2e8m h GLN 89 N 0.00 0.06 -0.49 4.17 1.08 -1.00 -3.20 115.11 115.73 2e8m h GLN 89 Ca -0.00 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2e8m h GLN 89 Cb 0.74 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.17 2e8m h GLN 89 CO 0.03 0.83 0.28 0.87 -0.95 0.00 0.00 178.83 179.90 2e8m h LYS 90 N -0.68 0.67 -0.42 1.46 1.57 -1.37 -1.88 116.57 115.91 2e8m h LYS 90 Ca -0.01 -0.07 0.12 0.00 -1.87 0.00 0.00 60.65 58.82 2e8m h LYS 90 Cb 0.86 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 2e8m h LYS 90 CO 0.02 0.50 0.36 0.00 -0.57 0.00 0.00 179.45 179.76 2e8m h ALA 91 N 1.13 2.23 -0.16 3.86 0.00 -1.54 0.91 119.26 125.69 2e8m h ALA 91 Ca 0.17 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 2e8m h ALA 91 Cb 0.01 0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2e8m h ALA 91 CO -0.03 -0.58 -0.77 0.00 0.00 0.00 0.00 179.25 177.87 2e8m h ALA 92 N 1.67 0.31 0.03 0.00 0.00 -1.33 -3.37 119.26 116.56 2e8m h ALA 92 Ca 0.20 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2e8m h ALA 92 Cb 0.92 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2e8m h ALA 92 CO -0.00 0.68 -0.01 -0.07 0.00 0.00 0.00 179.25 179.85 2e8m h LEU 93 N 0.55 -0.03 -1.19 0.00 3.38 -0.88 -3.48 115.31 113.67 2e8m h LEU 93 Ca -0.05 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.50 2e8m h LEU 93 Cb 1.40 0.01 0.07 0.00 0.09 0.00 0.00 40.66 42.23 2e8m h LEU 93 CO 0.16 0.16 -0.75 -0.24 0.09 0.00 0.00 178.44 177.86 2e8m n SER 94 N -3.09 -4.24 -3.63 -0.43 2.88 0.12 -4.97 113.62 100.26 2e8m n SER 94 Ca -0.00 -0.69 -0.30 0.00 -1.33 0.00 0.00 58.87 56.54 2e8m n SER 94 Cb 0.01 -4.46 0.26 0.00 -0.75 0.00 0.00 64.21 59.27 2e8m n SER 94 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2e8m s GLY 95 N -3.66 1.55 1.21 0.46 0.00 -1.26 -5.04 107.32 100.58 2e8m s GLY 95 Ca 0.42 -0.99 -0.20 0.00 0.00 0.00 0.00 44.72 43.95 2e8m s GLY 95 CO 0.78 -0.05 1.11 2.56 0.00 0.00 0.00 173.10 177.50 2e8m s PRO 96 N -5.40 -1.30 -0.07 2.90 0.04 -1.26 -5.01 135.00 124.90 2e8m s PRO 96 Ca 0.71 -0.10 -0.15 0.00 0.04 0.00 0.00 61.00 61.50 2e8m s PRO 96 Cb -0.09 -1.59 -0.11 0.00 0.04 0.00 0.00 34.50 32.75 2e8m s PRO 96 CO 0.56 -3.76 0.58 1.03 0.04 0.00 0.00 177.00 175.46 2e8m h SER 97 N -2.61 -0.18 -0.21 6.66 0.87 -2.06 -3.47 113.55 112.54 2e8m h SER 97 Ca -0.44 -0.26 0.26 0.00 -1.23 0.00 0.00 61.79 60.12 2e8m h SER 97 Cb 1.29 0.05 -0.22 0.00 -0.44 0.00 0.00 62.40 63.08 2e8m h SER 97 CO 0.33 0.39 0.26 -0.55 -0.53 0.00 0.00 176.83 176.73 2e8m s SER 98 N -5.46 -0.24 0.00 6.23 0.15 -1.26 -5.30 113.70 107.81 2e8m s SER 98 Ca -0.09 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.74 2e8m s SER 98 Cb -0.00 1.22 0.00 0.00 -1.71 0.00 0.00 66.02 65.53 2e8m s SER 98 CO 0.33 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.33