#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 -0.69 -4.36 1.61 7.64 -1.26 -5.05 113.62 111.51 2e8m n SER 2 Ca 0.00 -2.82 -0.45 0.00 1.01 0.00 0.00 58.87 56.60 2e8m n SER 2 Cb 0.00 0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.20 2e8m n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2e8m s SER 3 N -1.17 7.11 0.12 6.43 0.01 -1.26 -4.88 113.70 120.06 2e8m s SER 3 Ca 0.34 -3.21 -0.20 0.00 1.31 0.00 0.00 55.95 54.20 2e8m s SER 3 Cb 0.17 -2.24 -0.05 0.00 0.21 0.00 0.00 66.02 64.11 2e8m s SER 3 CO -0.15 -0.45 1.75 1.23 0.41 0.00 0.00 173.24 176.03 2e8m h GLY 4 N 7.49 0.25 -5.59 3.44 0.00 -2.05 -3.40 103.07 103.20 2e8m h GLY 4 Ca 0.17 -0.05 -0.58 0.00 0.00 0.00 0.00 47.33 46.87 2e8m h GLY 4 CO 0.97 0.04 0.00 -0.56 0.00 0.00 0.00 176.54 176.99 2e8m s SER 5 N -5.31 6.75 -0.07 0.19 0.01 -1.26 -5.07 113.70 108.95 2e8m s SER 5 Ca -0.13 0.90 0.01 0.00 1.31 0.00 0.00 55.95 58.04 2e8m s SER 5 Cb 0.09 -2.34 -0.03 0.00 0.21 0.00 0.00 66.02 63.95 2e8m s SER 5 CO 0.69 -0.13 -0.08 -0.94 0.41 0.00 0.00 173.24 173.20 2e8m s SER 6 N 0.89 4.58 0.00 2.44 1.04 -1.26 -5.03 113.70 116.35 2e8m s SER 6 Ca 0.30 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.68 2e8m s SER 6 Cb -0.16 -1.16 0.00 0.00 0.10 0.00 0.00 66.02 64.80 2e8m s SER 6 CO 0.12 0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.30 2e8m n GLY 7 N 2.30 -3.23 3.57 7.32 0.00 -1.26 -5.05 105.19 108.85 2e8m n GLY 7 Ca -0.18 -1.84 -0.26 0.00 0.00 0.00 0.00 46.02 43.74 2e8m n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2e8m s THR 8 N -0.88 1.41 0.43 2.61 2.01 -1.26 -5.11 115.64 114.84 2e8m s THR 8 Ca 0.00 -2.00 -0.26 0.00 0.31 0.00 0.00 61.69 59.74 2e8m s THR 8 Cb 0.00 -2.71 -0.09 0.00 0.01 0.00 0.00 72.50 69.71 2e8m s THR 8 CO 0.00 0.00 1.43 0.00 -0.69 0.00 0.00 174.62 175.36 2e8m n ILE 9 N -0.92 2.60 0.00 1.82 0.13 -1.26 -4.61 119.36 117.12 2e8m n ILE 9 Ca -0.07 -0.50 0.00 0.00 -1.10 0.00 0.00 62.75 61.08 2e8m n ILE 9 Cb 0.67 -1.84 0.00 0.00 -0.84 0.00 0.00 39.64 37.62 2e8m n ILE 9 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2e8m n GLY 10 N 0.58 0.51 3.24 4.50 0.00 -1.26 -4.83 105.19 107.94 2e8m n GLY 10 Ca 0.04 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 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 2.55 -0.28 1.61 3.00 -1.26 -4.91 118.95 119.66 2e8m s ARG 11 Ca 0.00 -1.59 -0.14 0.00 0.00 0.00 0.00 55.73 54.01 2e8m s ARG 11 Cb 0.00 -3.84 -0.12 0.00 0.00 0.00 0.00 34.95 30.98 2e8m s ARG 11 CO 0.00 -1.06 -0.34 0.45 0.00 0.00 0.00 175.30 174.35 2e8m n SER 12 N 4.91 1.96 -4.39 0.23 2.88 -1.26 -5.01 113.62 112.94 2e8m n SER 12 Ca -0.09 0.32 -0.30 0.00 -1.33 0.00 0.00 58.87 57.48 2e8m n SER 12 Cb 0.42 -0.81 0.16 0.00 -0.75 0.00 0.00 64.21 63.23 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 -2.51 2.29 -0.23 -1.46 0.00 -1.26 -5.05 121.76 113.54 2e8m s ALA 13 Ca -0.39 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 50.47 2e8m s ALA 13 Cb 0.15 -2.85 -0.05 0.00 0.00 0.00 0.00 23.12 20.37 2e8m s ALA 13 CO 0.50 -2.23 0.20 0.00 0.00 0.00 0.00 175.76 174.22 2e8m s ALA 14 N -3.74 3.60 0.43 0.00 0.00 -1.26 -5.09 121.76 115.71 2e8m s ALA 14 Ca 0.70 -0.81 -0.10 0.00 0.00 0.00 0.00 51.96 51.74 2e8m s ALA 14 Cb -0.07 -2.37 -0.06 0.00 0.00 0.00 0.00 23.12 20.62 2e8m s ALA 14 CO 0.52 -0.20 0.80 1.14 0.00 0.00 0.00 175.76 178.02 2e8m s GLN 15 N 1.07 3.76 -0.70 0.00 -2.07 -1.26 -4.50 119.66 115.96 2e8m s GLN 15 Ca 0.10 0.48 -0.04 0.00 -1.82 0.00 0.00 55.36 54.08 2e8m s GLN 15 Cb -0.14 -2.36 0.01 0.00 -1.09 0.00 0.00 33.01 29.43 2e8m s GLN 15 CO 0.05 -0.09 0.66 1.63 -1.32 0.00 0.00 175.29 176.22 2e8m n LYS 16 N -1.47 -1.56 0.15 9.60 5.02 -1.26 -4.92 118.16 123.73 2e8m n LYS 16 Ca 0.03 1.45 -0.14 0.00 -2.02 0.00 0.00 58.31 57.62 2e8m n LYS 16 Cb 0.54 -4.89 -0.07 0.00 -0.02 0.00 0.00 35.03 30.59 2e8m n LYS 16 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2e8m h LYS 17 N 0.63 -0.37 -6.55 1.97 1.57 -2.05 -3.41 116.57 108.36 2e8m h LYS 17 Ca -0.15 0.03 -0.52 0.00 -1.87 0.00 0.00 60.65 58.13 2e8m h LYS 17 Cb 1.10 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 2e8m h LYS 17 CO 0.29 -0.25 0.39 -0.06 -0.57 0.00 0.00 179.45 179.26 2e8m s PHE 18 N -6.12 3.73 0.75 -1.35 0.08 -1.26 -5.02 117.98 108.79 2e8m s PHE 18 Ca -0.15 1.72 -0.14 0.00 0.12 0.00 0.00 56.93 58.48 2e8m s PHE 18 Cb 0.06 -3.12 0.05 0.00 -0.57 0.00 0.00 43.02 39.44 2e8m s PHE 18 CO 0.65 -0.05 1.20 -3.38 -0.10 0.00 0.00 175.22 173.54 2e8m s HIS 19 N 0.18 2.00 0.21 0.36 -3.43 -1.26 -5.04 115.29 108.32 2e8m s HIS 19 Ca 0.49 1.62 0.11 0.00 -0.80 0.00 0.00 55.06 56.48 2e8m s HIS 19 Cb -0.24 -3.46 -0.04 0.00 -1.43 0.00 0.00 32.58 27.41 2e8m s HIS 19 CO 0.30 -2.64 -0.18 0.14 -2.00 0.00 0.00 174.74 170.37 2e8m s VAL 20 N -2.07 2.67 -0.10 -5.38 -7.23 -1.26 -5.10 120.40 101.93 2e8m s VAL 20 Ca 0.73 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 58.60 2e8m s VAL 20 Cb -0.28 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 2e8m s VAL 20 CO 0.47 -0.19 1.53 -2.16 -0.31 0.00 0.00 175.10 174.44 2e8m s PRO 21 N -2.95 4.17 0.03 4.82 0.04 -1.26 -5.01 135.00 134.84 2e8m s PRO 21 Ca 0.24 1.98 -0.01 0.00 0.04 0.00 0.00 61.00 63.26 2e8m s PRO 21 Cb -0.07 -3.92 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 2e8m s PRO 21 CO 0.13 -0.83 0.20 -0.98 0.04 0.00 0.00 177.00 175.55 2e8m s ARG 22 N 3.91 3.44 0.56 4.56 1.70 -1.26 -5.08 118.95 126.78 2e8m s ARG 22 Ca 0.67 -0.38 -0.19 0.00 -0.47 0.00 0.00 55.73 55.36 2e8m s ARG 22 Cb -0.29 -3.07 -0.05 0.00 -0.57 0.00 0.00 34.95 30.97 2e8m s ARG 22 CO 0.25 0.64 1.17 -0.65 -1.08 0.00 0.00 175.30 175.63 2e8m s GLN 23 N -2.24 3.22 0.35 3.89 1.11 -1.26 -5.04 119.66 119.69 2e8m s GLN 23 Ca 0.31 1.72 0.01 0.00 0.01 0.00 0.00 55.36 57.41 2e8m s GLN 23 Cb -0.13 -2.00 -0.00 0.00 -1.01 0.00 0.00 33.01 29.87 2e8m s GLN 23 CO 0.24 -0.98 0.43 0.27 0.01 0.00 0.00 175.29 175.26 2e8m n ASN 24 N -1.36 -1.18 -4.86 5.90 0.23 -1.26 -5.16 115.26 107.57 2e8m n ASN 24 Ca 0.12 -3.01 -0.32 0.00 -0.53 0.00 0.00 54.58 50.84 2e8m n ASN 24 Cb 0.50 2.31 -0.05 0.00 -2.08 0.00 0.00 39.78 40.46 2e8m n ASN 24 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 2e8m s VAL 25 N -2.99 4.70 0.87 3.53 -7.23 -1.26 -5.07 120.40 112.95 2e8m s VAL 25 Ca 0.33 0.87 -0.11 0.00 -1.81 0.00 0.00 61.98 61.25 2e8m s VAL 25 Cb -0.00 -3.66 0.11 0.00 0.56 0.00 0.00 36.38 33.39 2e8m s VAL 25 CO 0.23 -0.34 1.09 -2.16 -0.31 0.00 0.00 175.10 173.62 2e8m s PRO 26 N -3.35 1.47 -0.04 4.82 0.04 -1.26 -4.96 135.00 131.73 2e8m s PRO 26 Ca 0.54 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 62.17 2e8m s PRO 26 Cb -0.10 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 2e8m s PRO 26 CO 0.23 -2.11 1.51 0.08 0.04 0.00 0.00 177.00 176.74 2e8m s VAL 27 N -2.93 3.66 0.07 -0.36 1.01 -1.26 -5.00 120.40 115.59 2e8m s VAL 27 Ca 0.63 0.93 -0.11 0.00 0.00 0.00 0.00 61.98 63.43 2e8m s VAL 27 Cb -0.18 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 2e8m s VAL 27 CO 0.57 -0.04 0.42 -0.63 0.00 0.00 0.00 175.10 175.41 2e8m s ILE 28 N 3.20 5.06 0.06 2.22 -1.09 -1.26 -5.09 121.20 124.30 2e8m s ILE 28 Ca 0.67 0.57 -0.12 0.00 -2.23 0.00 0.00 60.65 59.54 2e8m s ILE 28 Cb -0.32 -3.67 0.01 0.00 -1.58 0.00 0.00 42.46 36.91 2e8m s ILE 28 CO 0.27 0.34 0.27 0.20 -1.23 0.00 0.00 174.94 174.79 2e8m s ASN 29 N -1.61 -0.06 0.11 3.58 -0.87 -1.26 -4.98 114.94 109.84 2e8m s ASN 29 Ca 0.32 -0.33 0.05 0.00 -1.57 0.00 0.00 52.86 51.33 2e8m s ASN 29 Cb -0.15 0.36 -0.04 0.00 -0.02 0.00 0.00 41.25 41.41 2e8m s ASN 29 CO 0.17 -0.66 -0.13 0.27 -2.57 0.00 0.00 177.10 174.18 2e8m s ILE 30 N -2.98 1.21 0.37 0.60 -4.36 -1.26 -4.97 121.20 109.80 2e8m s ILE 30 Ca -0.02 -1.63 0.04 0.00 -0.26 0.00 0.00 60.65 58.78 2e8m s ILE 30 Cb 0.01 -1.42 -0.03 0.00 1.25 0.00 0.00 42.46 42.27 2e8m s ILE 30 CO -0.06 -0.42 0.17 0.42 0.24 0.00 0.00 174.94 175.29 2e8m s THR 31 N -2.07 0.42 0.44 8.37 -4.23 -1.26 -4.89 115.64 112.42 2e8m s THR 31 Ca 0.06 -2.00 0.40 0.00 -1.18 0.00 0.00 61.69 58.97 2e8m s THR 31 Cb -0.05 -2.42 0.42 0.00 1.34 0.00 0.00 72.50 71.79 2e8m s THR 31 CO 0.02 0.00 2.21 1.88 -0.54 0.00 0.00 174.62 178.19 2e8m h TYR 32 N 1.96 0.00 -0.65 3.99 0.05 -1.95 -2.16 116.97 118.21 2e8m h TYR 32 Ca -0.33 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 58.01 2e8m h TYR 32 Cb 1.26 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 38.72 2e8m h TYR 32 CO 1.43 0.01 -0.22 -3.47 -1.05 0.00 0.00 178.16 174.86 2e8m n ASP 33 N -3.11 4.60 -4.97 3.88 2.03 -1.26 -2.93 116.55 114.79 2e8m n ASP 33 Ca -0.02 -3.78 -0.21 0.00 0.52 0.00 0.00 54.79 51.30 2e8m n ASP 33 Cb 0.17 -0.58 0.03 0.00 -0.72 0.00 0.00 41.12 40.02 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 -2.88 5.40 0.23 1.67 0.01 -0.81 -4.98 113.70 112.34 2e8m s SER 34 Ca 0.51 0.05 -0.00 0.00 1.31 0.00 0.00 55.95 57.82 2e8m s SER 34 Cb 0.43 -1.02 -0.04 0.00 0.21 0.00 0.00 66.02 65.60 2e8m s SER 34 CO 0.01 -1.04 0.42 0.42 0.41 0.00 0.00 173.24 173.46 2e8m s THR 35 N -2.71 5.19 -1.18 1.44 -4.23 -1.26 -3.04 115.64 109.84 2e8m s THR 35 Ca 0.55 -0.41 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 70.15 2e8m s THR 35 CO 0.38 -0.25 1.43 -0.81 -0.54 0.00 0.00 174.62 174.84 2e8m n PRO 36 N -0.89 0.09 0.00 3.99 -0.04 -1.26 -2.27 135.00 134.63 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 -4.07 120.64 117.31 2e8m n GLU 37 Ca 0.05 0.12 -0.18 0.00 0.66 0.00 0.00 57.16 57.81 2e8m n GLU 37 Cb 0.14 -1.71 -0.11 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 0.62 -0.69 4.31 3.32 -1.83 -3.27 116.42 118.88 2e8m h ASP 38 Ca -0.21 -0.59 0.05 0.00 0.02 0.00 0.00 57.03 56.31 2e8m h ASP 38 Cb 1.61 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.92 2e8m h ASP 38 CO 0.04 1.42 0.46 0.58 -1.72 0.00 0.00 179.24 180.01 2e8m h VAL 39 N 0.18 1.06 -0.42 -1.35 2.07 -1.71 -1.42 116.25 114.66 2e8m h VAL 39 Ca -0.14 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.18 2e8m h VAL 39 Cb 1.85 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 2e8m h VAL 39 CO 0.21 0.14 0.07 0.50 0.02 0.00 0.00 177.57 178.51 2e8m h LYS 40 N 0.77 0.19 -0.12 1.57 3.64 -1.72 -1.05 116.57 119.85 2e8m h LYS 40 Ca 0.29 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.48 2e8m h LYS 40 Cb 0.17 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2e8m h LYS 40 CO -0.09 0.13 -0.66 1.15 -2.27 0.00 0.00 179.45 177.71 2e8m h THR 41 N 0.20 1.35 -0.45 1.00 2.02 -1.55 -2.83 112.91 112.65 2e8m h THR 41 Ca 0.21 -1.99 0.02 0.00 0.77 0.00 0.00 66.41 65.42 2e8m h THR 41 Cb 0.26 1.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 2e8m h THR 41 CO -0.28 0.61 0.30 -0.25 0.37 0.00 0.00 175.52 176.26 2e8m h TRP 42 N 0.35 0.49 0.04 3.16 7.01 -0.56 0.21 115.95 126.65 2e8m h TRP 42 Ca -0.02 0.01 -0.22 0.00 2.11 0.00 0.00 58.89 60.78 2e8m h TRP 42 Cb 1.23 -0.17 0.02 0.00 -2.10 0.00 0.00 29.16 28.14 2e8m h TRP 42 CO 0.05 0.30 -0.87 -0.07 -2.79 0.00 0.00 178.44 175.05 2e8m h LEU 43 N 0.52 0.70 -0.33 0.65 3.38 -1.14 -3.15 115.31 115.94 2e8m h LEU 43 Ca 0.18 -0.78 -0.05 0.00 0.09 0.00 0.00 57.88 57.31 2e8m h LEU 43 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2e8m h LEU 43 CO -0.04 1.40 -0.00 1.56 0.09 0.00 0.00 178.44 181.45 2e8m h GLN 44 N 0.08 0.58 -0.35 1.13 1.08 -1.18 -1.76 115.11 114.71 2e8m h GLN 44 Ca -0.12 -0.19 0.07 0.00 -1.45 0.00 0.00 58.65 56.96 2e8m h GLN 44 Cb 1.57 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 28.88 2e8m h GLN 44 CO 0.17 0.71 -0.11 1.03 -0.95 0.00 0.00 178.83 179.69 2e8m h SER 45 N 0.39 -0.38 0.03 1.46 0.87 -0.70 0.97 113.55 116.19 2e8m h SER 45 Ca 0.09 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2e8m h SER 45 Cb 0.45 0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.65 2e8m h SER 45 CO 0.02 -0.14 -0.02 0.11 -0.53 0.00 0.00 176.83 176.27 2e8m h LYS 46 N -0.03 0.00 0.00 2.24 1.79 -1.50 -3.46 116.57 115.61 2e8m h LYS 46 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 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 -0.37 0.02 0.00 0.41 -1.08 0.00 0.00 179.45 178.43 2e8m n GLY 47 N -1.33 0.78 3.90 3.86 0.00 0.34 -5.11 105.19 107.63 2e8m n GLY 47 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2e8m n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2e8m s PHE 48 N -1.55 3.54 0.79 1.61 0.08 -0.68 -5.03 117.98 116.74 2e8m s PHE 48 Ca 0.00 0.45 -0.15 0.00 0.12 0.00 0.00 56.93 57.35 2e8m s PHE 48 Cb 0.00 -1.91 0.00 0.00 -0.57 0.00 0.00 43.02 40.54 2e8m s PHE 48 CO 0.00 0.59 0.64 0.27 -0.10 0.00 0.00 175.22 176.62 2e8m n ASN 49 N 0.74 -0.92 0.18 1.36 6.94 -1.26 -4.65 115.26 117.65 2e8m n ASN 49 Ca -0.08 0.53 0.03 0.00 -0.02 0.00 0.00 54.58 55.04 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 -1.99 -2.84 132.00 126.05 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 0.00 178.00 178.87 2e8m h VAL 51 N 0.00 0.36 0.05 1.56 2.07 -2.00 -1.15 116.25 117.13 2e8m h VAL 51 Ca -0.00 -0.05 -0.32 0.00 0.82 0.00 0.00 66.70 67.15 2e8m h VAL 51 Cb 0.81 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 -1.80 0.41 0.02 0.00 0.00 177.57 176.26 2e8m n THR 52 N -3.58 1.62 0.31 2.57 -1.04 -1.08 -3.65 114.28 109.43 2e8m n THR 52 Ca -0.03 -0.35 0.19 0.00 -2.04 0.00 0.00 64.05 61.82 2e8m n THR 52 Cb 0.09 -1.85 1.04 0.00 -1.82 0.00 0.00 70.33 67.79 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 -0.51 0.18 0.19 12.58 2.07 -1.36 0.26 116.25 129.65 2e8m h VAL 53 Ca -0.44 -0.12 -0.26 0.00 0.82 0.00 0.00 66.70 66.70 2e8m h VAL 53 Cb 1.67 1.10 0.03 0.00 -1.52 0.00 0.00 31.29 32.56 2e8m h VAL 53 CO -0.12 0.01 -1.15 0.78 0.02 0.00 0.00 177.57 177.12 2e8m h ASN 54 N 0.00 0.62 0.86 0.57 2.35 -1.37 -0.78 115.58 117.83 2e8m h ASN 54 Ca -0.00 -0.93 -0.19 0.00 -0.55 0.00 0.00 56.30 54.62 2e8m h ASN 54 Cb 0.10 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2e8m h ASN 54 CO 0.00 1.55 -0.91 -1.28 -1.65 0.00 0.00 177.43 175.14 2e8m h SER 55 N -0.15 0.04 -0.41 5.81 0.87 -1.48 -3.23 113.55 115.00 2e8m h SER 55 Ca -0.21 -0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.23 2e8m h SER 55 Cb 1.87 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 63.77 2e8m h SER 55 CO 0.20 0.93 0.05 0.18 -0.53 0.00 0.00 176.83 177.65 2e8m n LEU 56 N -3.49 4.55 -1.09 2.23 4.77 0.86 -4.43 117.00 120.41 2e8m n LEU 56 Ca -0.01 -3.21 0.11 0.00 -0.03 0.00 0.00 56.01 52.87 2e8m n LEU 56 Cb 0.86 -0.62 0.21 0.00 -2.33 0.00 0.00 43.42 41.54 2e8m n LEU 56 CO 0.46 0.82 0.69 0.61 -1.33 0.00 0.00 177.39 178.64 2e8m n GLY 57 N -0.50 1.79 0.00 -0.72 0.00 -0.30 -4.27 105.19 101.20 2e8m n GLY 57 Ca 0.29 -0.69 0.02 0.00 0.00 0.00 0.00 46.02 45.64 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 1.37 0.00 -3.22 1.61 0.24 -1.26 -4.56 118.33 112.52 2e8m n VAL 58 Ca 0.18 -0.12 -0.39 0.00 -2.04 0.00 0.00 64.34 61.98 2e8m n VAL 58 Cb 0.57 0.50 -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 -3.10 4.49 0.84 1.34 1.43 -1.26 -4.69 118.68 117.73 2e8m s LEU 59 Ca -0.01 1.27 -0.12 0.00 -1.03 0.00 0.00 54.13 54.24 2e8m s LEU 59 Cb 0.02 -2.95 0.09 0.00 0.03 0.00 0.00 46.19 43.38 2e8m s LEU 59 CO 0.14 0.20 1.10 0.54 0.23 0.00 0.00 176.35 178.56 2e8m s ASN 60 N -0.76 4.13 0.33 2.29 2.20 -1.26 -4.21 114.94 117.66 2e8m s ASN 60 Ca 0.31 1.27 0.09 0.00 -0.94 0.00 0.00 52.86 53.59 2e8m s ASN 60 Cb -0.19 -1.97 0.82 0.00 -2.00 0.00 0.00 41.25 37.90 2e8m s ASN 60 CO 0.19 -2.19 1.80 1.23 -2.94 0.00 0.00 177.10 175.19 2e8m h GLY 61 N -1.24 1.54 0.94 0.45 0.00 -1.68 -0.21 103.07 102.87 2e8m h GLY 61 Ca -0.48 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 46.50 2e8m h GLY 61 CO 0.59 -0.03 -0.31 0.00 0.00 0.00 0.00 176.54 176.79 2e8m h ALA 62 N 1.63 -0.81 -0.06 3.60 0.00 -1.60 0.12 119.26 122.12 2e8m h ALA 62 Ca 0.55 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2e8m h ALA 62 Cb 0.95 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2e8m h ALA 62 CO -0.32 -0.96 0.03 1.96 0.00 0.00 0.00 179.25 179.96 2e8m h GLN 63 N -0.81 0.07 -0.89 0.00 1.08 -1.70 -2.39 115.11 110.46 2e8m h GLN 63 Ca -0.07 -0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.20 2e8m h GLN 63 Cb 0.64 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.99 2e8m h GLN 63 CO 0.10 0.04 0.58 1.25 -0.95 0.00 0.00 178.83 179.86 2e8m h LEU 64 N 0.07 0.85 -1.97 1.46 6.46 -1.00 1.00 115.31 122.18 2e8m h LEU 64 Ca 0.03 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 2e8m h LEU 64 Cb 0.00 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.77 2e8m h LEU 64 CO -0.02 0.52 -0.08 -0.26 -0.62 0.00 0.00 178.44 177.99 2e8m h PHE 65 N 0.95 0.00 0.00 1.25 -1.00 -0.27 -2.13 116.94 115.73 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 0.30 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.84 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 0.00 -2.83 2.17 0.87 -0.41 -3.44 113.55 109.92 2e8m h SER 66 Ca -0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.01 2e8m h SER 66 Cb 0.34 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 2e8m h SER 66 CO 0.01 0.89 0.92 -0.76 -0.53 0.00 0.00 176.83 177.35 2e8m s LEU 67 N -6.90 4.29 0.00 2.23 1.43 -0.80 -5.02 118.68 113.91 2e8m s LEU 67 Ca 0.01 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 2e8m s LEU 67 Cb 0.10 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.80 2e8m s LEU 67 CO 0.80 -0.79 0.15 0.59 0.23 0.00 0.00 176.35 177.34 2e8m n ASN 68 N 6.12 0.22 0.27 2.29 3.02 -1.26 -4.70 115.26 121.21 2e8m n ASN 68 Ca 0.14 -1.18 0.18 0.00 -0.03 0.00 0.00 54.58 53.69 2e8m n ASN 68 Cb 0.44 -0.10 0.94 0.00 -0.61 0.00 0.00 39.78 40.45 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 0.13 116.57 121.91 2e8m h LYS 69 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2e8m h LYS 69 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2e8m h LYS 69 CO 0.06 0.00 -0.21 0.22 -2.27 0.00 0.00 179.45 177.25 2e8m h ASP 70 N 0.00 0.00 -0.86 4.20 1.82 -1.94 -2.81 116.42 116.82 2e8m h ASP 70 Ca 0.04 0.00 0.15 0.00 -0.39 0.00 0.00 57.03 56.83 2e8m h ASP 70 Cb 0.32 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 40.23 2e8m h ASP 70 CO -0.00 0.56 0.45 -0.33 -1.61 0.00 0.00 179.24 178.31 2e8m h GLU 71 N -0.91 0.61 -0.26 0.28 5.08 -1.87 0.56 114.58 118.07 2e8m h GLU 71 Ca 0.00 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 2e8m h GLU 71 Cb 0.21 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2e8m h GLU 71 CO 0.00 0.40 -0.40 -0.07 -1.00 0.00 0.00 179.01 177.94 2e8m h LEU 72 N 0.62 0.64 -1.44 1.33 3.38 -1.15 -2.26 115.31 116.44 2e8m h LEU 72 Ca 0.48 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 2e8m h LEU 72 Cb 0.69 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2e8m h LEU 72 CO -0.37 0.97 -0.20 -0.09 0.09 0.00 0.00 178.44 178.84 2e8m h ARG 73 N 0.50 0.00 0.06 1.13 2.43 -0.70 -1.52 114.38 116.29 2e8m h ARG 73 Ca 0.04 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 2e8m h ARG 73 Cb 0.91 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.47 2e8m h ARG 73 CO 0.08 0.20 -0.44 1.79 -1.51 0.00 0.00 179.97 180.09 2e8m h THR 74 N 0.00 1.62 -0.47 0.20 1.35 -0.76 -3.34 112.91 111.51 2e8m h THR 74 Ca -0.00 -2.43 -0.07 0.00 -0.55 0.00 0.00 66.41 63.36 2e8m h THR 74 Cb 0.59 3.25 -0.02 0.00 -1.73 0.00 0.00 68.15 70.24 2e8m h THR 74 CO 0.03 0.65 0.01 1.62 -0.25 0.00 0.00 175.52 177.57 2e8m h VAL 75 N -0.71 1.24 -3.69 6.82 3.04 -1.36 -3.45 116.25 118.14 2e8m h VAL 75 Ca -0.08 -0.97 -0.12 0.00 -1.01 0.00 0.00 66.70 64.51 2e8m h VAL 75 Cb 1.31 0.88 -0.18 0.00 -2.01 0.00 0.00 31.29 31.28 2e8m h VAL 75 CO 0.06 0.34 -0.48 0.00 -1.01 0.00 0.00 177.57 176.48 2e8m h PRO 77 N 3.66 0.00 -0.76 0.00 0.13 -1.81 -2.69 132.00 130.53 2e8m h PRO 77 Ca -0.32 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.71 2e8m h PRO 77 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 2e8m h PRO 77 CO 0.49 0.14 0.12 0.39 -0.23 0.00 0.00 178.00 178.91 2e8m n GLU 78 N -3.34 3.48 0.26 0.86 -0.58 -1.26 -4.55 120.64 115.50 2e8m n GLU 78 Ca -0.00 -2.36 -0.16 0.00 -0.42 0.00 0.00 57.16 54.21 2e8m n GLU 78 Cb 0.35 -2.04 -0.08 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 3.66 -0.93 0.35 0.62 0.00 -1.55 0.17 103.07 105.39 2e8m h GLY 79 Ca 0.12 0.44 0.24 0.00 0.00 0.00 0.00 47.33 48.13 2e8m h GLY 79 CO 0.49 -0.32 0.59 0.00 0.00 0.00 0.00 176.54 177.30 2e8m h ALA 80 N -0.43 2.77 0.07 3.60 0.00 -1.80 0.33 119.26 123.80 2e8m h ALA 80 Ca -0.04 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.59 2e8m h ALA 80 Cb 0.72 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2e8m h ALA 80 CO -0.04 -1.02 -1.22 0.00 0.00 0.00 0.00 179.25 176.97 2e8m h ARG 81 N 0.00 0.15 -0.01 0.00 2.47 -1.65 -3.19 114.38 112.14 2e8m h ARG 81 Ca 0.39 -0.26 -0.03 0.00 -1.26 0.00 0.00 59.98 58.83 2e8m h ARG 81 Cb 1.57 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.99 2e8m h ARG 81 CO -0.00 1.08 -0.10 0.28 0.56 0.00 0.00 179.97 181.78 2e8m h VAL 82 N 0.04 1.54 -0.72 2.04 2.07 0.25 -3.25 116.25 118.22 2e8m h VAL 82 Ca -0.11 -1.73 0.11 0.00 0.82 0.00 0.00 66.70 65.79 2e8m h VAL 82 Cb 1.91 2.65 -0.08 0.00 -1.52 0.00 0.00 31.29 34.24 2e8m h VAL 82 CO 0.16 0.46 0.32 0.22 0.02 0.00 0.00 177.57 178.75 2e8m h TYR 83 N -0.57 0.56 -0.04 1.57 3.20 -0.81 0.27 116.97 121.15 2e8m h TYR 83 Ca -0.01 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.90 2e8m h TYR 83 Cb 0.81 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 2e8m h TYR 83 CO 0.17 0.14 0.08 0.77 -1.64 0.00 0.00 178.16 177.68 2e8m h SER 84 N 0.51 0.00 0.79 -2.11 0.02 -1.62 0.30 113.55 111.45 2e8m h SER 84 Ca 0.37 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.23 2e8m h SER 84 Cb 0.48 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 2e8m h SER 84 CO -0.33 0.00 -1.27 0.00 -1.14 0.00 0.00 176.83 174.09 2e8m n GLN 85 N -3.48 0.62 0.01 3.45 1.13 0.84 -4.13 117.38 115.83 2e8m n GLN 85 Ca -0.02 0.16 -0.13 0.00 -1.94 0.00 0.00 57.00 55.07 2e8m n GLN 85 Cb 0.16 -1.80 -0.14 0.00 0.11 0.00 0.00 30.24 28.57 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 -0.85 5.09 2.04 0.25 -3.35 117.51 121.67 2e8m h ILE 86 Ca -0.09 -2.74 0.14 0.00 1.00 0.00 0.00 64.86 63.17 2e8m h ILE 86 Cb 1.32 2.57 -0.06 0.00 -0.74 0.00 0.00 36.82 39.90 2e8m h ILE 86 CO 0.02 0.70 0.55 0.00 0.00 0.00 0.00 178.15 179.43 2e8m h THR 87 N 0.03 0.83 0.00 -0.27 1.03 -0.68 0.26 112.91 114.11 2e8m h THR 87 Ca -0.27 -0.21 -0.05 0.00 -0.01 0.00 0.00 66.41 65.87 2e8m h THR 87 Cb 1.99 0.15 -0.01 0.00 -1.07 0.00 0.00 68.15 69.22 2e8m h THR 87 CO 0.11 0.11 -0.23 1.62 -0.01 0.00 0.00 175.52 177.12 2e8m h VAL 88 N 0.62 0.68 0.10 0.00 3.04 -1.73 -1.97 116.25 117.00 2e8m h VAL 88 Ca 0.42 -1.01 -0.15 0.00 -1.01 0.00 0.00 66.70 64.95 2e8m h VAL 88 Cb 0.74 1.65 0.01 0.00 -2.01 0.00 0.00 31.29 31.68 2e8m h VAL 88 CO -0.18 0.23 -0.68 1.56 -1.01 0.00 0.00 177.57 177.49 2e8m h GLN 89 N 0.00 0.22 -0.81 4.17 1.08 -0.69 -3.17 115.11 115.90 2e8m h GLN 89 Ca -0.00 -0.37 -0.04 0.00 -1.45 0.00 0.00 58.65 56.79 2e8m h GLN 89 Cb 0.63 0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 28.16 2e8m h GLN 89 CO 0.03 1.18 0.36 0.87 -0.95 0.00 0.00 178.83 180.31 2e8m h LYS 90 N -0.53 1.18 0.00 1.46 1.57 -1.19 -1.96 116.57 117.10 2e8m h LYS 90 Ca -0.13 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 2e8m h LYS 90 Cb 1.49 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 2e8m h LYS 90 CO 0.10 0.93 -0.12 0.00 -0.57 0.00 0.00 179.45 179.80 2e8m h ALA 91 N 1.19 1.35 -0.16 3.86 0.00 -1.48 -0.03 119.26 124.00 2e8m h ALA 91 Ca 0.27 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 2e8m h ALA 91 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2e8m h ALA 91 CO -0.03 0.15 -0.72 0.00 0.00 0.00 0.00 179.25 178.65 2e8m h ALA 92 N 1.88 0.43 0.11 0.00 0.00 -1.33 -3.26 119.26 117.09 2e8m h ALA 92 Ca -0.00 -0.58 -0.27 0.00 0.00 0.00 0.00 54.91 54.06 2e8m h ALA 92 Cb 0.31 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2e8m h ALA 92 CO 0.02 0.70 -1.24 -0.07 0.00 0.00 0.00 179.25 178.66 2e8m h LEU 93 N 0.49 0.35 -9.18 0.00 3.38 -1.23 -3.44 115.31 105.67 2e8m h LEU 93 Ca -0.03 -0.38 -0.58 0.00 0.09 0.00 0.00 57.88 56.97 2e8m h LEU 93 Cb 1.33 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.88 2e8m h LEU 93 CO 0.14 1.30 0.12 -0.55 0.09 0.00 0.00 178.44 179.55 2e8m s SER 94 N -7.05 6.76 1.05 -0.43 0.15 -0.07 -5.07 113.70 109.05 2e8m s SER 94 Ca -0.04 0.93 -0.14 0.00 0.70 0.00 0.00 55.95 57.40 2e8m s SER 94 Cb 0.07 -2.36 0.20 0.00 -1.71 0.00 0.00 66.02 62.22 2e8m s SER 94 CO 0.87 -0.23 1.02 0.61 1.20 0.00 0.00 173.24 176.70 2e8m n GLY 95 N 3.60 -1.75 0.16 9.45 0.00 -1.26 -4.73 105.19 110.66 2e8m n GLY 95 Ca -0.01 -1.65 0.01 0.00 0.00 0.00 0.00 46.02 44.36 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 0.01 -1.71 1.61 0.13 -1.97 -3.42 132.00 126.65 2e8m h PRO 96 Ca -0.34 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.66 2e8m h PRO 96 Cb 0.96 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.81 2e8m h PRO 96 CO 0.24 0.50 -0.46 0.45 -0.23 0.00 0.00 178.00 178.49 2e8m s SER 97 N -6.89 -0.00 0.28 1.44 0.15 -1.26 -5.16 113.70 102.26 2e8m s SER 97 Ca -0.02 0.20 0.05 0.00 0.70 0.00 0.00 55.95 56.88 2e8m s SER 97 Cb 0.14 1.28 -0.06 0.00 -1.71 0.00 0.00 66.02 65.67 2e8m s SER 97 CO 0.74 -0.30 -0.01 -0.55 1.20 0.00 0.00 173.24 174.32 2e8m s SER 98 N 2.60 2.42 0.00 5.45 0.15 -1.26 -5.24 113.70 117.82 2e8m s SER 98 Ca 0.13 -1.26 0.25 0.00 0.70 0.00 0.00 55.95 55.77 2e8m s SER 98 Cb -0.15 -0.10 0.46 0.00 -1.71 0.00 0.00 66.02 64.52 2e8m s SER 98 CO -0.20 -0.47 1.41 0.61 1.20 0.00 0.00 173.24 175.80