#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 5.66 -4.34 1.61 7.64 -1.26 -5.04 113.62 117.90 2e8m n SER 2 Ca 0.00 -3.76 -0.27 0.00 1.01 0.00 0.00 58.87 55.85 2e8m n SER 2 Cb 0.00 -0.59 0.16 0.00 -1.01 0.00 0.00 64.21 62.76 2e8m n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2e8m s SER 3 N -2.92 3.58 0.29 6.43 0.15 -1.26 -5.12 113.70 114.85 2e8m s SER 3 Ca 0.52 0.03 0.04 0.00 0.70 0.00 0.00 55.95 57.24 2e8m s SER 3 Cb 0.43 -0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 2e8m s SER 3 CO -0.13 -2.41 0.20 -0.83 1.20 0.00 0.00 173.24 171.27 2e8m s GLY 4 N -4.83 2.01 -0.43 9.45 0.00 -1.26 -5.11 107.32 107.15 2e8m s GLY 4 Ca 0.71 -1.85 0.08 0.00 0.00 0.00 0.00 44.72 43.66 2e8m s GLY 4 CO 0.50 -1.50 0.82 -1.26 0.00 0.00 0.00 173.10 171.66 2e8m n SER 5 N -1.00 -1.04 -4.91 1.64 2.88 -1.26 -5.13 113.62 104.80 2e8m n SER 5 Ca 0.04 -3.19 -0.23 0.00 -1.33 0.00 0.00 58.87 54.15 2e8m n SER 5 Cb 0.64 0.63 -0.03 0.00 -0.75 0.00 0.00 64.21 64.70 2e8m n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2e8m s SER 6 N -1.66 6.05 0.00 -3.46 1.04 -1.26 -5.02 113.70 109.39 2e8m s SER 6 Ca 0.32 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.76 2e8m s SER 6 Cb 0.26 -1.72 0.00 0.00 0.10 0.00 0.00 66.02 64.66 2e8m s SER 6 CO -0.12 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.70 2e8m n GLY 7 N -0.96 -0.22 0.28 7.32 0.00 -1.26 -5.01 105.19 105.33 2e8m n GLY 7 Ca -0.08 0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.14 2e8m n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e8m h THR 8 N 0.00 0.87 0.00 2.61 1.03 -2.08 -3.08 112.91 112.26 2e8m h THR 8 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.39 2e8m h THR 8 Cb 0.00 0.99 -0.00 0.00 -1.07 0.00 0.00 68.15 68.06 2e8m h THR 8 CO 0.00 0.00 -0.18 0.40 -0.01 0.00 0.00 175.52 175.73 2e8m h ILE 9 N 0.00 0.34 -1.21 0.00 5.03 -2.05 -3.50 117.51 116.11 2e8m h ILE 9 Ca 0.01 -1.28 0.13 0.00 -0.12 0.00 0.00 64.86 63.60 2e8m h ILE 9 Cb 0.05 0.66 -0.03 0.00 -3.03 0.00 0.00 36.82 34.48 2e8m h ILE 9 CO -0.00 0.11 -0.17 0.61 -0.68 0.00 0.00 178.15 178.02 2e8m n GLY 10 N 1.70 -2.03 3.30 5.37 0.00 -1.17 -4.88 105.19 107.48 2e8m n GLY 10 Ca -0.05 -1.36 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 2e8m n GLY 10 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2e8m s ARG 11 N -1.21 3.04 -0.66 1.61 3.03 -1.26 -5.05 118.95 118.45 2e8m s ARG 11 Ca 0.00 -0.80 0.05 0.00 2.03 0.00 0.00 55.73 57.01 2e8m s ARG 11 Cb 0.00 -2.40 0.30 0.00 -1.03 0.00 0.00 34.95 31.82 2e8m s ARG 11 CO 0.00 0.26 0.93 0.43 -1.13 0.00 0.00 175.30 175.79 2e8m n SER 12 N 3.32 4.41 -2.68 -2.89 7.64 -1.26 -4.78 113.62 117.38 2e8m n SER 12 Ca -0.18 -3.57 -0.08 0.00 1.01 0.00 0.00 58.87 56.06 2e8m n SER 12 Cb 0.53 -0.68 0.08 0.00 -1.01 0.00 0.00 64.21 63.13 2e8m n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2e8m n ALA 13 N 0.34 2.22 -2.46 -0.43 0.00 -1.26 -5.13 120.51 113.79 2e8m n ALA 13 Ca 0.31 -2.09 -0.23 0.00 0.00 0.00 0.00 53.44 51.43 2e8m n ALA 13 Cb 0.39 -0.97 -0.09 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.28 2.56 0.01 0.00 0.00 -1.26 -5.14 121.76 116.65 2e8m s ALA 14 Ca 0.24 -1.57 -0.21 0.00 0.00 0.00 0.00 51.96 50.42 2e8m s ALA 14 Cb 0.43 0.80 -0.06 0.00 0.00 0.00 0.00 23.12 24.29 2e8m s ALA 14 CO -0.03 -0.36 0.61 -0.65 0.00 0.00 0.00 175.76 175.33 2e8m s GLN 15 N -3.80 4.33 0.49 0.00 1.11 -1.26 -5.03 119.66 115.49 2e8m s GLN 15 Ca 0.30 0.77 -0.22 0.00 0.01 0.00 0.00 55.36 56.22 2e8m s GLN 15 Cb 0.05 -3.33 -0.08 0.00 -1.01 0.00 0.00 33.01 28.64 2e8m s GLN 15 CO 0.15 0.39 1.03 1.17 0.01 0.00 0.00 175.29 178.05 2e8m n LYS 16 N 2.60 1.28 -2.03 2.91 0.00 -1.26 -4.85 118.16 116.81 2e8m n LYS 16 Ca -0.07 0.47 -0.43 0.00 0.00 0.00 0.00 58.31 58.28 2e8m n LYS 16 Cb 0.51 -2.14 -0.03 0.00 0.00 0.00 0.00 35.03 33.37 2e8m n LYS 16 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2e8m s LYS 17 N -2.32 3.39 -0.36 1.64 1.02 -1.26 -4.97 119.74 116.89 2e8m s LYS 17 Ca 0.67 1.41 -0.12 0.00 0.02 0.00 0.00 55.97 57.95 2e8m s LYS 17 Cb -0.49 -4.17 0.00 0.00 -0.52 0.00 0.00 37.83 32.65 2e8m s LYS 17 CO 0.53 -1.79 0.23 -0.06 -0.92 0.00 0.00 175.35 173.34 2e8m s PHE 18 N 6.64 3.22 0.03 3.18 0.08 -1.26 -5.05 117.98 124.82 2e8m s PHE 18 Ca 0.78 -0.54 -0.27 0.00 0.12 0.00 0.00 56.93 57.02 2e8m s PHE 18 Cb -0.22 -2.47 0.07 0.00 -0.57 0.00 0.00 43.02 39.83 2e8m s PHE 18 CO 0.34 -0.50 0.62 -1.01 -0.10 0.00 0.00 175.22 174.57 2e8m s HIS 19 N 1.65 -0.57 0.12 0.36 3.76 -1.26 -5.18 115.29 114.16 2e8m s HIS 19 Ca 0.05 0.76 0.05 0.00 -0.15 0.00 0.00 55.06 55.77 2e8m s HIS 19 Cb -0.18 0.44 -0.04 0.00 1.11 0.00 0.00 32.58 33.91 2e8m s HIS 19 CO 0.09 -0.68 -0.12 0.14 -0.85 0.00 0.00 174.74 173.32 2e8m s VAL 20 N -2.16 1.14 0.65 -0.90 -7.23 -1.26 -5.15 120.40 105.48 2e8m s VAL 20 Ca -0.07 -1.74 -0.15 0.00 -1.81 0.00 0.00 61.98 58.21 2e8m s VAL 20 Cb -0.00 -1.51 -0.01 0.00 0.56 0.00 0.00 36.38 35.42 2e8m s VAL 20 CO 0.01 -0.53 1.11 -2.16 -0.31 0.00 0.00 175.10 173.22 2e8m s PRO 21 N -2.90 2.87 -0.62 4.82 0.04 -1.26 -5.02 135.00 132.93 2e8m s PRO 21 Ca 0.09 1.41 0.05 0.00 0.04 0.00 0.00 61.00 62.59 2e8m s PRO 21 Cb -0.03 -1.96 0.18 0.00 0.04 0.00 0.00 34.50 32.74 2e8m s PRO 21 CO 0.01 -1.20 0.50 0.54 0.04 0.00 0.00 177.00 176.89 2e8m n ARG 22 N -2.29 1.51 -2.92 4.56 5.12 -1.26 -5.10 116.66 116.28 2e8m n ARG 22 Ca 0.10 -4.16 -0.32 0.00 -1.93 0.00 0.00 57.85 51.54 2e8m n ARG 22 Cb 0.52 -2.09 -0.06 0.00 -1.16 0.00 0.00 32.46 29.66 2e8m n ARG 22 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2e8m s GLN 23 N -1.26 4.07 -0.05 5.56 0.74 -1.26 -5.07 119.66 122.39 2e8m s GLN 23 Ca 0.29 0.85 -0.01 0.00 0.05 0.00 0.00 55.36 56.54 2e8m s GLN 23 Cb 0.01 -2.30 -0.04 0.00 1.10 0.00 0.00 33.01 31.79 2e8m s GLN 23 CO -0.15 0.03 0.05 -0.80 -0.55 0.00 0.00 175.29 173.86 2e8m s ASN 24 N -2.39 5.54 0.12 6.67 0.01 -1.26 -5.12 114.94 118.51 2e8m s ASN 24 Ca 0.57 0.16 0.08 0.00 -0.71 0.00 0.00 52.86 52.97 2e8m s ASN 24 Cb -0.10 -1.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.94 2e8m s ASN 24 CO 0.18 0.33 -0.19 0.68 -1.51 0.00 0.00 177.10 176.59 2e8m s VAL 25 N -1.06 1.66 0.87 1.60 -7.23 -1.26 -5.15 120.40 109.84 2e8m s VAL 25 Ca 0.18 -1.65 -0.11 0.00 -1.81 0.00 0.00 61.98 58.59 2e8m s VAL 25 Cb -0.12 -1.60 0.11 0.00 0.56 0.00 0.00 36.38 35.34 2e8m s VAL 25 CO 0.08 -0.18 1.09 -2.16 -0.31 0.00 0.00 175.10 173.63 2e8m s PRO 26 N -2.22 1.48 0.29 4.82 0.04 -1.26 -4.99 135.00 133.17 2e8m s PRO 26 Ca 0.09 0.90 -0.29 0.00 0.04 0.00 0.00 61.00 61.73 2e8m s PRO 26 Cb -0.08 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.53 2e8m s PRO 26 CO 0.05 -2.11 1.25 0.08 0.04 0.00 0.00 177.00 176.31 2e8m s VAL 27 N -2.93 3.02 -0.00 -0.36 1.01 -1.26 -5.03 120.40 114.85 2e8m s VAL 27 Ca 0.63 1.00 -0.00 0.00 0.00 0.00 0.00 61.98 63.60 2e8m s VAL 27 Cb -0.18 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2e8m s VAL 27 CO 0.57 0.22 0.09 -0.63 0.00 0.00 0.00 175.10 175.35 2e8m s ILE 28 N -0.94 4.75 0.03 2.22 -1.09 -1.26 -5.11 121.20 119.80 2e8m s ILE 28 Ca 0.49 -0.41 -0.19 0.00 -2.23 0.00 0.00 60.65 58.31 2e8m s ILE 28 Cb -0.37 -3.18 0.04 0.00 -1.58 0.00 0.00 42.46 37.37 2e8m s ILE 28 CO 0.47 0.34 0.43 0.20 -1.23 0.00 0.00 174.94 175.15 2e8m s ASN 29 N -1.76 -0.31 0.14 3.58 0.01 -1.26 -5.00 114.94 110.34 2e8m s ASN 29 Ca 0.23 0.07 0.07 0.00 -0.71 0.00 0.00 52.86 52.52 2e8m s ASN 29 Cb -0.12 0.43 -0.04 0.00 0.41 0.00 0.00 41.25 41.93 2e8m s ASN 29 CO 0.14 -0.64 -0.15 0.27 -1.51 0.00 0.00 177.10 175.21 2e8m s ILE 30 N -2.28 1.50 0.38 0.60 -4.36 -1.26 -4.99 121.20 110.80 2e8m s ILE 30 Ca -0.06 -1.84 0.05 0.00 -0.26 0.00 0.00 60.65 58.54 2e8m s ILE 30 Cb -0.01 -1.68 -0.03 0.00 1.25 0.00 0.00 42.46 41.99 2e8m s ILE 30 CO -0.01 -0.42 0.18 0.42 0.24 0.00 0.00 174.94 175.35 2e8m s THR 31 N -2.24 0.38 0.09 8.37 -4.23 -1.26 -4.87 115.64 111.88 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 -0.04 -2.39 0.35 0.00 1.34 0.00 0.00 72.50 71.76 2e8m s THR 31 CO 0.04 0.00 1.99 1.88 -0.54 0.00 0.00 174.62 177.99 2e8m h TYR 32 N 1.91 0.00 -0.64 3.99 0.05 -1.95 -2.35 116.97 117.99 2e8m h TYR 32 Ca -0.32 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 58.02 2e8m h TYR 32 Cb 1.26 0.00 -0.29 0.00 1.01 0.00 0.00 36.73 38.71 2e8m h TYR 32 CO 1.57 0.00 -0.32 -3.47 -1.05 0.00 0.00 178.16 174.90 2e8m n ASP 33 N -2.78 4.55 -4.98 3.88 2.03 -1.26 -3.16 116.55 114.83 2e8m n ASP 33 Ca -0.00 -3.78 -0.20 0.00 0.52 0.00 0.00 54.79 51.32 2e8m n ASP 33 Cb 0.18 -0.54 0.02 0.00 -0.72 0.00 0.00 41.12 40.06 2e8m n ASP 33 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2e8m s SER 34 N -3.01 5.50 0.22 1.67 0.01 -0.88 -4.99 113.70 112.22 2e8m s SER 34 Ca 0.51 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.70 2e8m s SER 34 Cb 0.42 -0.96 -0.04 0.00 0.21 0.00 0.00 66.02 65.65 2e8m s SER 34 CO 0.01 -0.93 0.41 0.42 0.41 0.00 0.00 173.24 173.55 2e8m s THR 35 N -2.59 5.20 -1.19 1.44 -4.23 -1.26 -3.14 115.64 109.86 2e8m s THR 35 Ca 0.54 -0.44 0.14 0.00 -1.18 0.00 0.00 61.69 60.76 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 0.37 -0.23 1.44 -0.81 -0.54 0.00 0.00 174.62 174.84 2e8m n PRO 36 N -0.86 0.09 0.00 3.99 -0.04 -1.26 -2.27 135.00 134.65 2e8m n PRO 36 Ca -0.05 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2e8m n PRO 36 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.41 0.64 0.09 0.54 2.13 -1.26 -4.03 120.64 117.34 2e8m n GLU 37 Ca 0.05 0.11 -0.21 0.00 0.66 0.00 0.00 57.16 57.77 2e8m n GLU 37 Cb 0.15 -1.71 -0.12 0.00 0.27 0.00 0.00 31.44 30.03 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 0.81 -0.81 4.31 3.32 -1.83 -3.27 116.42 118.95 2e8m h ASP 38 Ca -0.21 -0.74 0.08 0.00 0.02 0.00 0.00 57.03 56.19 2e8m h ASP 38 Cb 1.60 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.84 2e8m h ASP 38 CO 0.03 1.55 0.53 0.58 -1.72 0.00 0.00 179.24 180.21 2e8m h VAL 39 N 0.26 0.99 -0.65 -1.35 2.07 -1.71 -1.50 116.25 114.36 2e8m h VAL 39 Ca -0.17 -0.28 0.11 0.00 0.82 0.00 0.00 66.70 67.18 2e8m h VAL 39 Cb 1.88 0.10 -0.08 0.00 -1.52 0.00 0.00 31.29 31.67 2e8m h VAL 39 CO 0.23 0.15 0.24 0.50 0.02 0.00 0.00 177.57 178.70 2e8m h LYS 40 N 0.82 0.40 -0.05 1.57 3.64 -1.72 -0.70 116.57 120.53 2e8m h LYS 40 Ca 0.36 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.51 2e8m h LYS 40 Cb 0.35 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2e8m h LYS 40 CO -0.14 0.26 -0.84 1.15 -2.27 0.00 0.00 179.45 177.61 2e8m h THR 41 N 0.41 1.37 -0.60 1.00 2.02 -1.48 -2.90 112.91 112.73 2e8m h THR 41 Ca 0.33 -2.26 0.03 0.00 0.77 0.00 0.00 66.41 65.28 2e8m h THR 41 Cb 0.44 2.24 -0.03 0.00 -1.74 0.00 0.00 68.15 69.06 2e8m h THR 41 CO -0.34 0.68 0.39 -0.25 0.37 0.00 0.00 175.52 176.38 2e8m h TRP 42 N 0.29 0.68 -0.04 3.16 7.01 -0.33 0.20 115.95 126.92 2e8m h TRP 42 Ca -0.06 0.02 -0.21 0.00 2.11 0.00 0.00 58.89 60.74 2e8m h TRP 42 Cb 1.46 -0.23 0.02 0.00 -2.10 0.00 0.00 29.16 28.30 2e8m h TRP 42 CO 0.06 0.40 -0.81 -0.07 -2.79 0.00 0.00 178.44 175.23 2e8m h LEU 43 N 0.71 0.78 -0.23 0.65 3.38 -1.15 -3.09 115.31 116.36 2e8m h LEU 43 Ca 0.24 -0.71 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 2e8m h LEU 43 Cb 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2e8m h LEU 43 CO -0.06 1.38 -0.01 1.56 0.09 0.00 0.00 178.44 181.41 2e8m h GLN 44 N 0.24 0.41 -0.46 1.13 1.08 -1.22 -1.93 115.11 114.37 2e8m h GLN 44 Ca -0.09 -0.13 0.09 0.00 -1.45 0.00 0.00 58.65 57.06 2e8m h GLN 44 Cb 1.47 -0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 28.79 2e8m h GLN 44 CO 0.16 0.60 0.01 1.03 -0.95 0.00 0.00 178.83 179.68 2e8m h SER 45 N 0.18 -0.18 0.12 1.46 0.87 -0.70 0.24 113.55 115.54 2e8m h SER 45 Ca 0.06 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2e8m h SER 45 Cb 0.42 0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2e8m h SER 45 CO 0.01 -0.06 -0.02 0.11 -0.53 0.00 0.00 176.83 176.35 2e8m h LYS 46 N 0.12 0.00 -0.41 2.24 1.79 -1.49 -3.46 116.57 115.36 2e8m h LYS 46 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 2e8m h LYS 46 Cb 0.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 2e8m h LYS 46 CO -0.38 0.02 0.00 0.41 -1.08 0.00 0.00 179.45 178.42 2e8m n GLY 47 N -1.03 0.66 3.89 3.86 0.00 0.86 -5.10 105.19 108.32 2e8m n GLY 47 Ca -0.03 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.75 3.50 0.80 1.61 0.08 -0.74 -5.03 117.98 116.45 2e8m s PHE 48 Ca 0.00 0.31 -0.15 0.00 0.12 0.00 0.00 56.93 57.21 2e8m s PHE 48 Cb 0.00 -1.80 -0.01 0.00 -0.57 0.00 0.00 43.02 40.64 2e8m s PHE 48 CO 0.00 0.62 0.51 0.27 -0.10 0.00 0.00 175.22 176.52 2e8m n ASN 49 N 0.81 -1.40 0.19 1.36 6.94 -1.26 -4.66 115.26 117.24 2e8m n ASN 49 Ca -0.10 0.50 0.04 0.00 -0.02 0.00 0.00 54.58 55.01 2e8m n ASN 49 Cb 0.52 -1.23 0.35 0.00 -2.36 0.00 0.00 39.78 37.07 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 -0.77 0.00 0.00 -0.53 0.13 -1.98 -2.83 132.00 126.01 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 0.40 0.39 -0.02 0.28 -0.23 0.00 0.00 178.00 178.82 2e8m h VAL 51 N 0.00 0.43 0.06 1.56 2.07 -2.00 -1.46 116.25 116.91 2e8m h VAL 51 Ca -0.00 -0.10 -0.34 0.00 0.82 0.00 0.00 66.70 67.08 2e8m h VAL 51 Cb 0.79 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 2e8m h VAL 51 CO 0.05 0.02 -1.90 0.41 0.02 0.00 0.00 177.57 176.17 2e8m n THR 52 N -3.66 1.65 0.30 2.57 -1.04 -1.08 -3.44 114.28 109.57 2e8m n THR 52 Ca -0.03 -0.44 0.19 0.00 -2.04 0.00 0.00 64.05 61.73 2e8m n THR 52 Cb 0.11 -1.80 0.94 0.00 -1.82 0.00 0.00 70.33 67.76 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 -0.34 0.00 0.12 12.58 2.07 -1.34 0.28 116.25 129.62 2e8m h VAL 53 Ca -0.45 -0.12 -0.35 0.00 0.82 0.00 0.00 66.70 66.61 2e8m h VAL 53 Cb 1.77 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 2e8m h VAL 53 CO -0.07 0.00 -1.85 0.78 0.02 0.00 0.00 177.57 176.45 2e8m h ASN 54 N 0.00 0.40 0.53 0.57 2.35 -1.42 -2.36 115.58 115.64 2e8m h ASN 54 Ca 0.00 -0.77 -0.27 0.00 -0.55 0.00 0.00 56.30 54.72 2e8m h ASN 54 Cb 0.13 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.37 2e8m h ASN 54 CO 0.00 1.67 -1.18 -1.28 -1.65 0.00 0.00 177.43 174.99 2e8m h SER 55 N 0.07 0.49 -0.45 5.81 0.87 -1.42 -3.28 113.55 115.64 2e8m h SER 55 Ca -0.37 -0.48 -0.06 0.00 -1.23 0.00 0.00 61.79 59.65 2e8m h SER 55 Cb 2.04 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 63.81 2e8m h SER 55 CO 0.12 1.35 0.05 0.18 -0.53 0.00 0.00 176.83 177.99 2e8m n LEU 56 N -3.60 4.84 -1.24 2.23 4.77 0.92 -4.39 117.00 120.51 2e8m n LEU 56 Ca -0.09 -3.11 0.12 0.00 -0.03 0.00 0.00 56.01 52.90 2e8m n LEU 56 Cb 0.98 -0.63 0.26 0.00 -2.33 0.00 0.00 43.42 41.70 2e8m n LEU 56 CO 0.54 0.74 0.73 0.61 -1.33 0.00 0.00 177.39 178.68 2e8m n GLY 57 N -0.22 2.02 0.00 -0.72 0.00 -0.89 -4.18 105.19 101.21 2e8m n GLY 57 Ca 0.28 -0.77 0.01 0.00 0.00 0.00 0.00 46.02 45.55 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 1.57 0.00 -3.30 1.61 0.24 -1.26 -4.55 118.33 112.65 2e8m n VAL 58 Ca 0.22 -0.17 -0.38 0.00 -2.04 0.00 0.00 64.34 61.96 2e8m n VAL 58 Cb 0.62 0.59 -0.06 0.00 -1.47 0.00 0.00 33.84 33.52 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 -2.90 4.47 0.81 1.34 1.43 -1.26 -4.70 118.68 117.87 2e8m s LEU 59 Ca -0.00 1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 54.13 2e8m s LEU 59 Cb 0.02 -2.83 0.08 0.00 0.03 0.00 0.00 46.19 43.48 2e8m s LEU 59 CO 0.12 0.22 1.09 0.54 0.23 0.00 0.00 176.35 178.55 2e8m s ASN 60 N -0.73 4.32 0.37 2.29 2.20 -1.26 -4.22 114.94 117.90 2e8m s ASN 60 Ca 0.28 1.44 0.12 0.00 -0.94 0.00 0.00 52.86 53.77 2e8m s ASN 60 Cb -0.18 -2.18 0.92 0.00 -2.00 0.00 0.00 41.25 37.81 2e8m s ASN 60 CO 0.17 -2.10 1.82 1.23 -2.94 0.00 0.00 177.10 175.28 2e8m h GLY 61 N -1.17 1.29 0.98 0.45 0.00 -1.68 -0.40 103.07 102.52 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 -0.02 -0.23 0.00 0.00 0.00 0.00 176.54 176.85 2e8m h ALA 62 N 1.62 -0.65 0.03 3.60 0.00 -1.61 0.32 119.26 122.57 2e8m h ALA 62 Ca 0.52 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 2e8m h ALA 62 Cb 1.05 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2e8m h ALA 62 CO -0.27 -0.85 -0.02 1.96 0.00 0.00 0.00 179.25 180.08 2e8m h GLN 63 N -0.68 -0.04 -0.89 0.00 1.08 -1.67 -2.47 115.11 110.43 2e8m h GLN 63 Ca -0.07 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.24 2e8m h GLN 63 Cb 0.51 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.89 2e8m h GLN 63 CO 0.11 -0.02 0.58 1.25 -0.95 0.00 0.00 178.83 179.80 2e8m h LEU 64 N -0.06 0.79 -1.87 1.46 6.46 -1.07 0.16 115.31 121.17 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 0.05 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.84 2e8m h LEU 64 CO 0.01 0.46 -0.09 -0.26 -0.62 0.00 0.00 178.44 177.94 2e8m h PHE 65 N 0.87 0.00 0.00 1.25 -1.00 -0.49 -2.23 116.94 115.33 2e8m h PHE 65 Ca 0.42 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 61.01 2e8m h PHE 65 Cb 0.43 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.97 2e8m h PHE 65 CO -0.00 0.09 -0.87 1.03 -1.61 0.00 0.00 178.31 176.95 2e8m h SER 66 N 0.00 0.00 -2.74 2.17 0.87 -0.29 -3.44 113.55 110.11 2e8m h SER 66 Ca -0.00 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.01 2e8m h SER 66 Cb 0.38 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2e8m h SER 66 CO 0.01 0.87 0.98 -0.76 -0.53 0.00 0.00 176.83 177.40 2e8m s LEU 67 N -6.69 4.32 0.00 2.23 1.43 -0.84 -5.01 118.68 114.12 2e8m s LEU 67 Ca 0.02 2.21 -0.00 0.00 -1.03 0.00 0.00 54.13 55.33 2e8m s LEU 67 Cb 0.10 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.78 2e8m s LEU 67 CO 0.80 -0.84 0.07 0.59 0.23 0.00 0.00 176.35 177.20 2e8m n ASN 68 N 6.21 0.08 0.33 2.29 3.02 -1.26 -4.72 115.26 121.21 2e8m n ASN 68 Ca 0.15 -1.07 0.21 0.00 -0.03 0.00 0.00 54.58 53.85 2e8m n ASN 68 Cb 0.43 -0.05 1.14 0.00 -0.61 0.00 0.00 39.78 40.69 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 -1.32 116.57 120.46 2e8m h LYS 69 Ca -0.02 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2e8m h LYS 69 Cb 0.09 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2e8m h LYS 69 CO 0.02 0.00 -0.37 0.22 -2.27 0.00 0.00 179.45 177.05 2e8m h ASP 70 N 0.00 0.00 -0.57 4.20 1.82 -1.96 -2.98 116.42 116.93 2e8m h ASP 70 Ca -0.00 -0.13 0.11 0.00 -0.39 0.00 0.00 57.03 56.62 2e8m h ASP 70 Cb 0.04 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 39.97 2e8m h ASP 70 CO 0.00 0.76 0.10 -0.33 -1.61 0.00 0.00 179.24 178.16 2e8m h GLU 71 N -1.00 0.22 -0.11 0.28 5.08 -1.87 0.30 114.58 117.48 2e8m h GLU 71 Ca -0.04 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 2e8m h GLU 71 Cb 0.45 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2e8m h GLU 71 CO -0.02 0.15 -0.28 -0.07 -1.00 0.00 0.00 179.01 177.79 2e8m h LEU 72 N 0.23 0.20 -0.53 1.33 3.38 -1.43 -1.45 115.31 117.04 2e8m h LEU 72 Ca 0.30 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 2e8m h LEU 72 Cb 0.44 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2e8m h LEU 72 CO -0.40 0.49 -0.31 -0.09 0.09 0.00 0.00 178.44 178.22 2e8m h ARG 73 N 0.19 0.00 0.20 1.13 2.43 -0.77 -2.55 114.38 115.00 2e8m h ARG 73 Ca 0.03 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.87 2e8m h ARG 73 Cb 0.60 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.16 2e8m h ARG 73 CO 0.04 0.31 -1.57 1.79 -1.51 0.00 0.00 179.97 179.03 2e8m h THR 74 N 0.00 1.15 -0.24 0.20 1.35 0.03 -3.34 112.91 112.06 2e8m h THR 74 Ca -0.00 -2.68 -0.15 0.00 -0.55 0.00 0.00 66.41 63.03 2e8m h THR 74 Cb 1.04 2.89 -0.01 0.00 -1.73 0.00 0.00 68.15 70.34 2e8m h THR 74 CO 0.04 0.84 -0.45 1.62 -0.25 0.00 0.00 175.52 177.31 2e8m h VAL 75 N 0.11 1.30 -3.42 6.82 3.04 -1.31 -3.46 116.25 119.33 2e8m h VAL 75 Ca -0.28 -1.65 -0.07 0.00 -1.01 0.00 0.00 66.70 63.70 2e8m h VAL 75 Cb 2.10 1.60 -0.14 0.00 -2.01 0.00 0.00 31.29 32.85 2e8m h VAL 75 CO 0.22 0.52 -0.15 0.00 -1.01 0.00 0.00 177.57 177.14 2e8m h PRO 77 N 2.60 0.00 -0.79 0.00 0.13 -1.82 -2.69 132.00 129.43 2e8m h PRO 77 Ca -0.33 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.68 2e8m h PRO 77 Cb 1.23 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.29 2e8m h PRO 77 CO 0.48 0.00 0.15 0.39 -0.23 0.00 0.00 178.00 178.79 2e8m n GLU 78 N -2.92 3.23 0.42 0.86 -0.58 -1.26 -4.55 120.64 115.84 2e8m n GLU 78 Ca 0.01 -2.25 -0.18 0.00 -0.42 0.00 0.00 57.16 54.32 2e8m n GLU 78 Cb 0.28 -2.00 -0.09 0.00 -0.57 0.00 0.00 31.44 29.07 2e8m n GLU 78 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2e8m h GLY 79 N 3.52 -1.25 1.03 0.62 0.00 -1.47 0.22 103.07 105.74 2e8m h GLY 79 Ca 0.15 0.49 0.12 0.00 0.00 0.00 0.00 47.33 48.09 2e8m h GLY 79 CO 0.50 -0.43 0.37 0.00 0.00 0.00 0.00 176.54 176.98 2e8m h ALA 80 N -1.33 2.18 0.00 3.60 0.00 -1.80 0.34 119.26 122.26 2e8m h ALA 80 Ca -0.11 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 2e8m h ALA 80 Cb 0.89 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2e8m h ALA 80 CO 0.13 -0.58 -0.83 0.00 0.00 0.00 0.00 179.25 177.97 2e8m h ARG 81 N 0.00 0.00 0.07 0.00 2.47 -1.75 -3.11 114.38 112.07 2e8m h ARG 81 Ca 0.19 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.72 2e8m h ARG 81 Cb 0.93 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.25 2e8m h ARG 81 CO -0.00 0.83 -0.99 0.28 0.56 0.00 0.00 179.97 180.65 2e8m h VAL 82 N 0.00 1.24 -0.74 2.04 2.07 0.16 -3.33 116.25 117.69 2e8m h VAL 82 Ca -0.01 -2.37 0.11 0.00 0.82 0.00 0.00 66.70 65.26 2e8m h VAL 82 Cb 1.57 2.83 -0.08 0.00 -1.52 0.00 0.00 31.29 34.10 2e8m h VAL 82 CO 0.11 0.61 0.36 0.22 0.02 0.00 0.00 177.57 178.88 2e8m h TYR 83 N -0.60 0.63 0.00 1.57 3.20 -0.76 0.28 116.97 121.29 2e8m h TYR 83 Ca -0.22 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.67 2e8m h TYR 83 Cb 1.49 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.59 2e8m h TYR 83 CO 0.16 0.19 -0.01 0.77 -1.64 0.00 0.00 178.16 177.63 2e8m h SER 84 N 0.57 0.00 0.79 -2.11 0.02 -1.69 0.11 113.55 111.25 2e8m h SER 84 Ca 0.38 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.26 2e8m h SER 84 Cb 0.46 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 2e8m h SER 84 CO -0.31 0.01 -1.26 0.00 -1.14 0.00 0.00 176.83 174.13 2e8m n GLN 85 N -3.33 0.62 0.01 3.45 1.13 0.85 -4.11 117.38 115.99 2e8m n GLN 85 Ca -0.03 0.14 -0.12 0.00 -1.94 0.00 0.00 57.00 55.06 2e8m n GLN 85 Cb 0.11 -1.79 -0.14 0.00 0.11 0.00 0.00 30.24 28.53 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 1.03 -0.83 5.09 2.04 0.28 -3.35 117.51 121.77 2e8m h ILE 86 Ca -0.08 -2.80 0.14 0.00 1.00 0.00 0.00 64.86 63.13 2e8m h ILE 86 Cb 1.26 2.57 -0.06 0.00 -0.74 0.00 0.00 36.82 39.85 2e8m h ILE 86 CO 0.02 0.69 0.54 0.00 0.00 0.00 0.00 178.15 179.40 2e8m h THR 87 N 0.02 0.82 0.00 -0.27 1.03 -1.00 0.26 112.91 113.77 2e8m h THR 87 Ca -0.25 -0.19 -0.05 0.00 -0.01 0.00 0.00 66.41 65.90 2e8m h THR 87 Cb 1.98 0.20 -0.01 0.00 -1.07 0.00 0.00 68.15 69.25 2e8m h THR 87 CO 0.11 0.10 -0.26 1.62 -0.01 0.00 0.00 175.52 177.08 2e8m h VAL 88 N 0.57 0.63 0.02 0.00 3.04 -1.74 -2.48 116.25 116.30 2e8m h VAL 88 Ca 0.41 -1.20 -0.00 0.00 -1.01 0.00 0.00 66.70 64.90 2e8m h VAL 88 Cb 0.77 1.80 0.00 0.00 -2.01 0.00 0.00 31.29 31.85 2e8m h VAL 88 CO -0.16 0.25 -0.01 1.56 -1.01 0.00 0.00 177.57 178.20 2e8m h GLN 89 N 0.00 -0.03 -0.58 4.17 1.08 -0.67 -3.19 115.11 115.89 2e8m h GLN 89 Ca -0.00 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 2e8m h GLN 89 Cb 0.78 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.17 2e8m h GLN 89 CO 0.03 0.68 0.35 0.87 -0.95 0.00 0.00 178.83 179.81 2e8m h LYS 90 N -0.91 0.66 -0.26 1.46 1.57 -1.35 -1.10 116.57 116.64 2e8m h LYS 90 Ca -0.00 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 2e8m h LYS 90 Cb 0.73 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2e8m h LYS 90 CO 0.01 0.44 0.22 0.00 -0.57 0.00 0.00 179.45 179.54 2e8m h ALA 91 N 1.26 2.06 0.00 3.86 0.00 -1.57 0.26 119.26 125.14 2e8m h ALA 91 Ca 0.24 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2e8m h ALA 91 Cb 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2e8m h ALA 91 CO -0.11 -0.35 -0.46 0.00 0.00 0.00 0.00 179.25 178.33 2e8m h ALA 92 N 1.80 0.86 0.09 0.00 0.00 -1.18 -1.12 119.26 119.70 2e8m h ALA 92 Ca 0.12 -0.42 -0.35 0.00 0.00 0.00 0.00 54.91 54.26 2e8m h ALA 92 Cb 0.56 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2e8m h ALA 92 CO -0.00 0.58 -2.00 1.28 0.00 0.00 0.00 179.25 179.11 2e8m n LEU 93 N -3.44 2.27 0.10 0.00 4.77 0.43 -4.51 117.00 116.62 2e8m n LEU 93 Ca 0.00 0.21 -0.08 0.00 -0.03 0.00 0.00 56.01 56.11 2e8m n LEU 93 Cb 0.60 -0.81 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 2e8m n LEU 93 CO 0.39 0.77 0.25 0.28 -1.33 0.00 0.00 177.39 177.74 2e8m h SER 94 N 0.05 -0.28 -4.09 -1.43 0.02 -0.69 -3.51 113.55 103.62 2e8m h SER 94 Ca -0.42 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 2e8m h SER 94 Cb 2.03 0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.64 2e8m h SER 94 CO 0.07 0.21 0.00 0.61 -1.14 0.00 0.00 176.83 176.58 2e8m n GLY 95 N 0.71 0.93 0.11 -3.77 0.00 -0.42 -4.92 105.19 97.83 2e8m n GLY 95 Ca -0.06 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 43.88 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 8.06 0.26 -4.85 1.61 0.13 -1.97 -3.44 132.00 131.80 2e8m h PRO 96 Ca 0.00 -0.14 -0.40 0.00 -0.87 0.00 0.00 66.00 64.59 2e8m h PRO 96 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.18 2e8m h PRO 96 CO 0.00 0.68 -0.61 0.43 -0.23 0.00 0.00 178.00 178.26 2e8m n SER 97 N -4.63 -5.71 -3.50 1.44 7.64 -1.26 -4.96 113.62 102.64 2e8m n SER 97 Ca -0.07 -0.35 -0.29 0.00 1.01 0.00 0.00 58.87 59.17 2e8m n SER 97 Cb 0.33 -4.61 -0.13 0.00 -1.01 0.00 0.00 64.21 58.79 2e8m n SER 97 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2e8m s SER 98 N -2.79 3.16 0.00 6.43 0.15 -1.26 -5.31 113.70 114.08 2e8m s SER 98 Ca 0.36 -1.99 0.00 0.00 0.70 0.00 0.00 55.95 55.02 2e8m s SER 98 Cb -0.17 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.71 2e8m s SER 98 CO 0.45 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.16