#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2m n LYS 2 N 0.00 -7.14 -1.98 0.03 4.01 -1.26 -4.94 118.16 106.87 1t2m n LYS 2 Ca 0.00 0.81 -0.38 0.00 -0.51 0.00 0.00 58.31 58.23 1t2m n LYS 2 Cb 0.00 -5.81 0.02 0.00 -0.51 0.00 0.00 35.03 28.72 1t2m n LYS 2 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1t2m s GLU 3 N -6.25 3.46 1.09 1.97 2.02 -1.26 -5.02 118.70 114.71 1t2m s GLU 3 Ca 0.55 2.06 -0.16 0.00 0.02 0.00 0.00 54.97 57.44 1t2m s GLU 3 Cb -0.25 -2.37 0.23 0.00 0.10 0.00 0.00 34.13 31.84 1t2m s GLU 3 CO 0.68 -0.88 1.15 -1.25 0.02 0.00 0.00 175.26 174.98 1t2m s PRO 4 N -2.75 -0.30 -0.72 0.39 0.04 -1.26 -5.00 135.00 125.39 1t2m s PRO 4 Ca 0.67 0.03 -0.12 0.00 0.04 0.00 0.00 61.00 61.62 1t2m s PRO 4 Cb -0.36 -1.70 0.19 0.00 0.04 0.00 0.00 34.50 32.67 1t2m s PRO 4 CO 0.43 -3.12 0.63 -2.00 0.04 0.00 0.00 177.00 172.99 1t2m s GLU 5 N -5.39 3.23 -0.48 4.56 2.12 -1.22 -4.94 118.70 116.58 1t2m s GLU 5 Ca 0.69 -2.30 -0.21 0.00 0.36 0.00 0.00 54.97 53.51 1t2m s GLU 5 Cb -0.11 -4.24 0.04 0.00 0.26 0.00 0.00 34.13 30.07 1t2m s GLU 5 CO 0.55 -1.27 0.72 0.42 -0.54 0.00 0.00 175.26 175.14 1t2m s ILE 6 N 0.45 4.73 -0.01 -3.70 -1.09 -1.26 -2.49 121.20 117.83 1t2m s ILE 6 Ca 0.14 0.05 0.02 0.00 -2.23 0.00 0.00 60.65 58.63 1t2m s ILE 6 Cb -0.16 -4.31 -0.00 0.00 -1.58 0.00 0.00 42.46 36.41 1t2m s ILE 6 CO -0.05 -0.76 -0.05 0.27 -1.23 0.00 0.00 174.94 173.11 1t2m s ILE 7 N 3.06 0.44 -0.04 2.92 -5.25 -0.23 -4.94 121.20 117.15 1t2m s ILE 7 Ca 0.23 -0.21 -0.02 0.00 -0.99 0.00 0.00 60.65 59.66 1t2m s ILE 7 Cb -0.15 -0.38 -0.04 0.00 2.95 0.00 0.00 42.46 44.84 1t2m s ILE 7 CO 0.18 0.13 0.07 0.28 -1.79 0.00 0.00 174.94 173.81 1t2m s THR 8 N 0.01 4.74 -0.03 8.37 -1.32 -1.26 0.62 115.64 126.77 1t2m s THR 8 Ca 0.00 -0.27 0.04 0.00 -1.21 0.00 0.00 61.69 60.25 1t2m s THR 8 Cb -0.04 -3.11 -0.00 0.00 -1.51 0.00 0.00 72.50 67.84 1t2m s THR 8 CO -0.00 0.46 -0.14 0.54 -2.21 0.00 0.00 174.62 173.27 1t2m s VAL 9 N -1.09 1.13 -0.82 5.08 0.11 -0.90 -4.85 120.40 119.06 1t2m s VAL 9 Ca 0.19 -0.57 -0.25 0.00 -2.93 0.00 0.00 61.98 58.42 1t2m s VAL 9 Cb -0.12 -0.97 0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1t2m s VAL 9 CO 0.09 0.33 1.29 0.42 -3.33 0.00 0.00 175.10 173.90 1t2m s THR 10 N -0.07 3.88 -0.01 5.04 -4.23 -1.26 -1.72 115.64 117.28 1t2m s THR 10 Ca 0.00 -0.09 -0.24 0.00 -1.18 0.00 0.00 61.69 60.17 1t2m s THR 10 Cb -0.08 -4.93 -0.05 0.00 1.34 0.00 0.00 72.50 68.78 1t2m s THR 10 CO 0.01 -1.83 0.74 -0.22 -0.54 0.00 0.00 174.62 172.78 1t2m s LEU 11 N 5.22 4.39 -0.28 4.79 2.96 0.95 -4.80 118.68 131.90 1t2m s LEU 11 Ca 0.37 1.34 -0.07 0.00 -0.22 0.00 0.00 54.13 55.55 1t2m s LEU 11 Cb -0.06 -3.17 0.00 0.00 0.50 0.00 0.00 46.19 43.46 1t2m s LEU 11 CO 0.06 -0.05 0.07 -0.54 -1.32 0.00 0.00 176.35 174.57 1t2m s LYS 12 N 0.35 3.17 -0.05 1.98 -0.14 -1.26 -0.92 119.74 122.88 1t2m s LYS 12 Ca 0.38 -0.80 -0.30 0.00 -1.36 0.00 0.00 55.97 53.90 1t2m s LYS 12 Cb -0.19 -3.33 -0.06 0.00 -1.68 0.00 0.00 37.83 32.57 1t2m s LYS 12 CO 0.21 -0.40 1.62 0.15 -0.76 0.00 0.00 175.35 176.17 1t2m s LYS 13 N 1.51 4.19 -0.26 1.68 1.02 -0.53 -4.81 119.74 122.54 1t2m s LYS 13 Ca 0.03 2.16 -0.01 0.00 0.02 0.00 0.00 55.97 58.18 1t2m s LYS 13 Cb -0.17 -3.92 -0.16 0.00 -0.52 0.00 0.00 37.83 33.06 1t2m s LYS 13 CO 0.02 -0.81 -0.25 0.00 -0.92 0.00 0.00 175.35 173.38 1t2m n GLN 14 N 6.88 0.64 -2.17 1.68 0.00 -1.26 -4.86 117.38 118.29 1t2m n GLN 14 Ca 0.17 0.17 -0.02 0.00 0.00 0.00 0.00 57.00 57.32 1t2m n GLN 14 Cb 0.43 -1.51 0.08 0.00 0.00 0.00 0.00 30.24 29.23 1t2m n GLN 14 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1t2m n ASN 15 N -3.43 -1.06 0.00 2.61 6.94 -1.26 -5.15 115.26 113.90 1t2m n ASN 15 Ca -0.47 -1.86 0.00 0.00 -0.02 0.00 0.00 54.58 52.22 1t2m n ASN 15 Cb 0.97 0.48 0.00 0.00 -2.36 0.00 0.00 39.78 38.87 1t2m n ASN 15 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1t2m n GLY 16 N -1.01 0.80 1.49 4.83 0.00 -1.26 -4.99 105.19 105.06 1t2m n GLY 16 Ca -0.15 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1t2m n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1t2m n MET 17 N 0.00 0.00 -2.54 1.61 2.81 -1.26 -4.03 117.12 113.71 1t2m n MET 17 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 1t2m n MET 17 Cb 0.00 -0.09 0.00 0.00 -0.71 0.00 0.00 33.22 32.42 1t2m n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1t2m n GLY 18 N 2.54 -1.04 2.66 3.03 0.00 -1.26 -3.70 105.19 107.42 1t2m n GLY 18 Ca 0.00 0.52 -0.23 0.00 0.00 0.00 0.00 46.02 46.31 1t2m n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t2m s LEU 19 N -2.89 0.17 -0.98 0.99 1.43 -1.26 -0.95 118.68 115.19 1t2m s LEU 19 Ca 0.07 -0.56 -0.23 0.00 -1.03 0.00 0.00 54.13 52.38 1t2m s LEU 19 Cb -0.02 0.01 0.05 0.00 0.03 0.00 0.00 46.19 46.26 1t2m s LEU 19 CO 0.54 -0.35 1.41 -0.44 0.23 0.00 0.00 176.35 177.73 1t2m s SER 20 N 2.21 6.47 0.61 2.29 0.01 0.11 -4.98 113.70 120.42 1t2m s SER 20 Ca 0.05 -1.39 0.06 0.00 1.31 0.00 0.00 55.95 55.98 1t2m s SER 20 Cb -0.16 -2.56 0.09 0.00 0.21 0.00 0.00 66.02 63.61 1t2m s SER 20 CO -0.15 -1.51 0.85 0.27 0.41 0.00 0.00 173.24 173.11 1t2m s ILE 21 N 4.89 2.21 -0.23 1.44 -5.25 -1.26 -1.23 121.20 121.77 1t2m s ILE 21 Ca 0.44 -0.86 -0.18 0.00 -0.99 0.00 0.00 60.65 59.06 1t2m s ILE 21 Cb -0.01 -2.35 0.06 0.00 2.95 0.00 0.00 42.46 43.11 1t2m s ILE 21 CO -0.07 0.00 0.59 0.54 -1.79 0.00 0.00 174.94 174.21 1t2m s VAL 22 N -2.81 -0.00 -0.87 8.37 0.11 0.16 -4.88 120.40 120.47 1t2m s VAL 22 Ca 0.63 0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 59.58 1t2m s VAL 22 Cb -0.06 -0.84 0.23 0.00 -1.53 0.00 0.00 36.38 34.18 1t2m s VAL 22 CO 0.40 0.01 0.81 0.00 -3.33 0.00 0.00 175.10 172.99 1t2m s ALA 23 N 0.82 4.19 0.43 1.54 0.00 -1.26 0.03 121.76 127.50 1t2m s ALA 23 Ca -0.04 -3.46 0.03 0.00 0.00 0.00 0.00 51.96 48.49 1t2m s ALA 23 Cb -0.05 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1t2m s ALA 23 CO -0.07 -2.24 0.08 0.00 0.00 0.00 0.00 175.76 173.54 1t2m s ALA 24 N -0.25 3.17 0.55 0.00 0.00 -1.08 -4.60 121.76 119.56 1t2m s ALA 24 Ca 0.21 -1.16 0.08 0.00 0.00 0.00 0.00 51.96 51.09 1t2m s ALA 24 Cb -0.11 0.53 0.07 0.00 0.00 0.00 0.00 23.12 23.61 1t2m s ALA 24 CO -0.08 -0.24 0.75 0.21 0.00 0.00 0.00 175.76 176.40 1t2m s LYS 25 N -3.78 2.39 0.00 0.00 2.20 -1.26 -2.00 119.74 117.30 1t2m s LYS 25 Ca 0.21 -1.49 0.00 0.00 -0.36 0.00 0.00 55.97 54.33 1t2m s LYS 25 Cb 0.03 -2.65 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 1t2m s LYS 25 CO 0.12 -0.76 0.00 0.41 -0.36 0.00 0.00 175.35 174.76 1t2m n GLY 26 N -2.19 4.23 3.68 5.54 0.00 -1.26 -4.98 105.19 110.21 1t2m n GLY 26 Ca 0.14 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 1t2m n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t2m s ALA 27 N -1.31 3.28 -1.68 4.61 0.00 -1.26 -4.41 121.76 121.00 1t2m s ALA 27 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1t2m s ALA 27 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.94 1t2m s ALA 27 CO 0.00 0.69 0.00 0.41 0.00 0.00 0.00 175.76 176.86 1t2m n GLY 28 N 0.52 1.51 2.68 0.00 0.00 -1.26 -4.91 105.19 103.72 1t2m n GLY 28 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1t2m n GLY 28 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1t2m s GLN 29 N -3.32 0.14 -0.23 1.61 -0.44 -1.26 -5.01 119.66 111.15 1t2m s GLN 29 Ca 0.00 0.02 0.05 0.00 -2.50 0.00 0.00 55.36 52.93 1t2m s GLN 29 Cb 0.00 -1.44 0.48 0.00 -1.64 0.00 0.00 33.01 30.41 1t2m s GLN 29 CO 0.00 -0.71 1.47 -3.47 0.50 0.00 0.00 175.29 173.09 1t2m n ASP 30 N 5.30 3.76 0.00 6.67 -0.08 -1.26 -4.10 116.55 126.83 1t2m n ASP 30 Ca -0.06 -2.85 0.00 0.00 -1.51 0.00 0.00 54.79 50.37 1t2m n ASP 30 Cb 0.49 -0.68 0.00 0.00 2.34 0.00 0.00 41.12 43.27 1t2m n ASP 30 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1t2m n LYS 31 N -0.14 3.80 -3.67 -0.67 4.01 -1.26 -5.02 118.16 115.22 1t2m n LYS 31 Ca 0.30 0.00 -0.28 0.00 -0.51 0.00 0.00 58.31 57.82 1t2m n LYS 31 Cb 1.09 0.00 -0.16 0.00 -0.51 0.00 0.00 35.03 35.45 1t2m n LYS 31 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1t2m s LEU 32 N 0.00 1.02 0.23 -0.35 2.96 -1.26 -4.44 118.68 116.84 1t2m s LEU 32 Ca 0.00 -0.98 -0.06 0.00 -0.22 0.00 0.00 54.13 52.87 1t2m s LEU 32 Cb 0.00 -0.50 -0.06 0.00 0.50 0.00 0.00 46.19 46.13 1t2m s LEU 32 CO 0.00 -0.36 0.50 -0.83 -1.32 0.00 0.00 176.35 174.35 1t2m s GLY 33 N 1.94 2.06 -0.72 7.98 0.00 -0.85 -1.70 107.32 116.03 1t2m s GLY 33 Ca 0.03 -0.49 -0.20 0.00 0.00 0.00 0.00 44.72 44.06 1t2m s GLY 33 CO -0.16 -0.39 0.91 -0.42 0.00 0.00 0.00 173.10 173.05 1t2m s ILE 34 N -1.90 4.66 0.28 0.90 -1.09 -1.08 -2.63 121.20 120.34 1t2m s ILE 34 Ca 0.44 -1.00 -0.11 0.00 -2.23 0.00 0.00 60.65 57.75 1t2m s ILE 34 Cb -0.11 -4.64 -0.07 0.00 -1.58 0.00 0.00 42.46 36.06 1t2m s ILE 34 CO 0.26 -1.34 0.62 -0.31 -1.23 0.00 0.00 174.94 172.94 1t2m s TYR 35 N 3.05 3.42 -0.16 3.97 2.02 0.10 0.43 117.35 130.18 1t2m s TYR 35 Ca 0.21 0.97 -0.05 0.00 -0.37 0.00 0.00 57.07 57.83 1t2m s TYR 35 Cb -0.16 -2.34 -0.03 0.00 -0.40 0.00 0.00 41.96 39.03 1t2m s TYR 35 CO 0.03 0.17 0.00 0.08 -1.57 0.00 0.00 175.55 174.26 1t2m s VAL 36 N -1.94 4.27 -0.03 0.71 1.01 0.84 0.37 120.40 125.63 1t2m s VAL 36 Ca 0.49 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.28 1t2m s VAL 36 Cb -0.11 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1t2m s VAL 36 CO 0.22 0.49 0.01 2.29 0.00 0.00 0.00 175.10 178.11 1t2m n LYS 37 N 3.38 3.43 -3.88 2.72 2.85 -0.37 0.68 118.16 126.97 1t2m n LYS 37 Ca -0.17 -0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 56.99 1t2m n LYS 37 Cb 0.52 -1.08 -0.09 0.00 -0.65 0.00 0.00 35.03 33.74 1t2m n LYS 37 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1t2m s SER 38 N -3.40 0.09 -0.05 -5.58 0.01 -1.13 -4.45 113.70 99.18 1t2m s SER 38 Ca -0.02 -0.44 -0.02 0.00 1.31 0.00 0.00 55.95 56.79 1t2m s SER 38 Cb 0.01 0.27 0.03 0.00 0.21 0.00 0.00 66.02 66.54 1t2m s SER 38 CO 0.13 -0.55 0.03 -0.69 0.41 0.00 0.00 173.24 172.57 1t2m s VAL 39 N -2.66 0.09 0.12 3.43 1.01 -1.26 0.04 120.40 121.18 1t2m s VAL 39 Ca -0.04 0.29 -0.31 0.00 0.00 0.00 0.00 61.98 61.91 1t2m s VAL 39 Cb -0.01 -0.30 -0.09 0.00 0.00 0.00 0.00 36.38 35.98 1t2m s VAL 39 CO -0.05 0.21 1.61 -0.69 0.00 0.00 0.00 175.10 176.18 1t2m s VAL 40 N 2.00 2.79 -0.49 2.92 1.01 -0.12 -4.91 120.40 123.59 1t2m s VAL 40 Ca 0.04 0.46 -0.27 0.00 0.00 0.00 0.00 61.98 62.20 1t2m s VAL 40 Cb -0.12 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 1t2m s VAL 40 CO -0.04 0.02 1.89 -0.75 0.00 0.00 0.00 175.10 176.22 1t2m s LYS 41 N 1.79 2.84 0.00 2.72 2.47 -1.26 -2.54 119.74 125.76 1t2m s LYS 41 Ca 0.72 0.99 0.00 0.00 -1.56 0.00 0.00 55.97 56.12 1t2m s LYS 41 Cb -0.42 -4.33 0.00 0.00 -1.46 0.00 0.00 37.83 31.61 1t2m s LYS 41 CO 0.32 -2.46 0.00 0.41 0.16 0.00 0.00 175.35 173.78 1t2m n GLY 42 N 5.62 0.76 0.00 5.54 0.00 -1.26 -5.13 105.19 110.73 1t2m n GLY 42 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1t2m n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t2m n GLY 43 N 0.00 -1.39 0.13 -0.02 0.00 -1.05 -4.88 105.19 97.98 1t2m n GLY 43 Ca 0.00 -1.46 -0.20 0.00 0.00 0.00 0.00 46.02 44.37 1t2m n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t2m n ALA 44 N -3.00 1.00 -0.02 4.61 0.00 -1.24 -3.74 120.51 118.11 1t2m n ALA 44 Ca 0.00 -0.66 -0.12 0.00 0.00 0.00 0.00 53.44 52.66 1t2m n ALA 44 Cb 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 19.45 18.81 1t2m n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t2m h ALA 45 N 0.18 0.58 -0.30 0.00 0.00 -1.92 -1.14 119.26 116.65 1t2m h ALA 45 Ca -0.42 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 53.86 1t2m h ALA 45 Cb 2.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 1t2m h ALA 45 CO 0.07 0.69 -0.21 0.22 0.00 0.00 0.00 179.25 180.03 1t2m h ASP 46 N 0.51 0.56 0.20 0.00 1.82 -1.84 -2.36 116.42 115.30 1t2m h ASP 46 Ca 0.00 -0.18 -0.27 0.00 -0.39 0.00 0.00 57.03 56.19 1t2m h ASP 46 Cb 1.16 -0.15 0.03 0.00 0.68 0.00 0.00 39.33 41.05 1t2m h ASP 46 CO 0.12 0.77 -1.21 0.58 -1.61 0.00 0.00 179.24 177.89 1t2m h VAL 47 N 0.50 1.34 0.33 2.25 2.07 -1.64 -3.36 116.25 117.75 1t2m h VAL 47 Ca 0.08 -2.60 -0.01 0.00 0.82 0.00 0.00 66.70 64.99 1t2m h VAL 47 Cb 0.64 3.08 -0.00 0.00 -1.52 0.00 0.00 31.29 33.48 1t2m h VAL 47 CO 0.05 0.77 -0.19 0.44 0.02 0.00 0.00 177.57 178.65 1t2m h ASP 48 N -0.11 -0.48 -1.05 0.57 3.32 -1.20 -3.48 116.42 113.99 1t2m h ASP 48 Ca -0.22 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1t2m h ASP 48 Cb 1.92 0.14 0.00 0.00 0.22 0.00 0.00 39.33 41.60 1t2m h ASP 48 CO 0.20 -0.31 0.00 0.61 -1.72 0.00 0.00 179.24 178.02 1t2m n GLY 49 N -1.32 0.55 1.03 2.75 0.00 -0.89 -5.04 105.19 102.27 1t2m n GLY 49 Ca -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1t2m n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t2m n ARG 50 N -0.52 0.00 -4.52 1.61 5.12 -1.26 -5.05 116.66 112.03 1t2m n ARG 50 Ca 0.00 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.58 1t2m n ARG 50 Cb 0.24 -0.49 -0.11 0.00 -1.16 0.00 0.00 32.46 30.95 1t2m n ARG 50 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 1t2m s LEU 51 N -6.08 3.31 0.47 0.55 0.05 -1.26 -5.12 118.68 110.61 1t2m s LEU 51 Ca 0.00 0.02 0.02 0.00 0.05 0.00 0.00 54.13 54.23 1t2m s LEU 51 Cb 0.00 -1.74 -0.02 0.00 -2.05 0.00 0.00 46.19 42.38 1t2m s LEU 51 CO 0.00 0.35 0.04 0.00 -0.55 0.00 0.00 176.35 176.19 1t2m s ALA 52 N -0.72 3.66 0.56 1.48 0.00 -1.26 -4.75 121.76 120.73 1t2m s ALA 52 Ca 0.11 -0.82 -0.19 0.00 0.00 0.00 0.00 51.96 51.06 1t2m s ALA 52 Cb -0.11 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 1t2m s ALA 52 CO 0.02 -0.12 1.13 0.00 0.00 0.00 0.00 175.76 176.78 1t2m s ALA 53 N -2.97 2.65 -0.10 0.00 0.00 -1.26 -3.90 121.76 116.19 1t2m s ALA 53 Ca 0.14 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 52.88 1t2m s ALA 53 Cb 0.03 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1t2m s ALA 53 CO 0.08 -0.87 0.09 0.41 0.00 0.00 0.00 175.76 175.47 1t2m n GLY 54 N 0.07 0.82 3.60 0.00 0.00 0.21 -4.96 105.19 104.94 1t2m n GLY 54 Ca 0.12 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 1t2m n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t2m s ASP 55 N -3.03 3.28 0.09 1.61 1.01 -1.03 -4.77 116.67 113.84 1t2m s ASP 55 Ca 0.04 -1.65 0.08 0.00 0.71 0.00 0.00 52.55 51.73 1t2m s ASP 55 Cb -0.02 0.47 -0.03 0.00 1.01 0.00 0.00 42.92 44.35 1t2m s ASP 55 CO 0.05 -0.88 -0.22 -1.58 0.21 0.00 0.00 175.17 172.76 1t2m s GLN 56 N -3.77 1.20 -0.14 8.23 -0.44 -1.04 -0.11 119.66 123.59 1t2m s GLN 56 Ca 0.18 -1.14 0.01 0.00 -2.50 0.00 0.00 55.36 51.91 1t2m s GLN 56 Cb 0.03 -1.46 0.02 0.00 -1.64 0.00 0.00 33.01 29.95 1t2m s GLN 56 CO 0.11 0.35 -0.16 -0.51 0.50 0.00 0.00 175.29 175.58 1t2m s LEU 57 N -1.78 1.78 -0.22 3.68 1.43 0.17 0.41 118.68 124.14 1t2m s LEU 57 Ca 0.07 -0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 1t2m s LEU 57 Cb -0.10 -1.22 -0.12 0.00 0.03 0.00 0.00 46.19 44.79 1t2m s LEU 57 CO 0.04 -0.02 -0.17 0.18 0.23 0.00 0.00 176.35 176.61 1t2m n LEU 58 N 4.56 1.91 -4.31 1.79 4.77 -0.66 -2.64 117.00 122.42 1t2m n LEU 58 Ca -0.18 0.40 -0.19 0.00 -0.03 0.00 0.00 56.01 56.01 1t2m n LEU 58 Cb 0.50 -0.86 -0.11 0.00 -2.33 0.00 0.00 43.42 40.63 1t2m n LEU 58 CO 0.23 0.19 -0.46 -0.55 -1.33 0.00 0.00 177.39 175.47 1t2m s SER 59 N -6.78 2.45 -0.18 -1.43 0.15 -1.26 -1.32 113.70 105.33 1t2m s SER 59 Ca -0.31 -0.92 -0.05 0.00 0.70 0.00 0.00 55.95 55.38 1t2m s SER 59 Cb 0.09 -0.12 0.07 0.00 -1.71 0.00 0.00 66.02 64.34 1t2m s SER 59 CO 0.47 -0.12 0.12 -0.69 1.20 0.00 0.00 173.24 174.22 1t2m s VAL 60 N -2.49 -0.14 -1.46 4.45 1.01 0.14 -1.32 120.40 120.59 1t2m s VAL 60 Ca 0.17 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 1t2m s VAL 60 Cb -0.03 -0.61 0.03 0.00 0.00 0.00 0.00 36.38 35.77 1t2m s VAL 60 CO 0.06 -0.28 0.64 -0.67 0.00 0.00 0.00 175.10 174.84 1t2m n ASP 61 N 5.29 -5.34 0.00 3.32 -0.08 0.13 -1.43 116.55 118.43 1t2m n ASP 61 Ca -0.07 -0.36 0.00 0.00 -1.51 0.00 0.00 54.79 52.85 1t2m n ASP 61 Cb 0.49 -4.33 0.00 0.00 2.34 0.00 0.00 41.12 39.62 1t2m n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1t2m n GLY 62 N -1.46 0.59 3.05 0.27 0.00 -1.26 -4.95 105.19 101.42 1t2m n GLY 62 Ca -0.07 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 1t2m n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t2m s ARG 63 N -1.14 2.33 0.09 1.61 0.52 -0.51 -5.12 118.95 116.72 1t2m s ARG 63 Ca 0.00 -0.59 -0.27 0.00 -0.52 0.00 0.00 55.73 54.35 1t2m s ARG 63 Cb 0.00 -2.03 -0.06 0.00 0.52 0.00 0.00 34.95 33.38 1t2m s ARG 63 CO 0.00 -0.13 0.85 -1.12 0.02 0.00 0.00 175.30 174.92 1t2m s SER 64 N 1.19 7.36 0.00 0.23 0.01 -1.26 0.24 113.70 121.47 1t2m s SER 64 Ca -0.02 1.63 0.11 0.00 1.31 0.00 0.00 55.95 58.98 1t2m s SER 64 Cb -0.14 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.59 1t2m s SER 64 CO -0.06 0.01 0.73 0.18 0.41 0.00 0.00 173.24 174.52 1t2m n LEU 65 N 2.61 1.51 -4.57 2.44 4.77 -0.43 -4.90 117.00 118.43 1t2m n LEU 65 Ca -0.01 -0.84 -0.24 0.00 -0.03 0.00 0.00 56.01 54.89 1t2m n LEU 65 Cb 0.49 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 1t2m n LEU 65 CO 0.49 0.29 1.34 0.54 -1.33 0.00 0.00 177.39 178.72 1t2m s VAL 66 N -1.28 3.37 0.00 4.08 0.11 -1.25 -1.72 120.40 123.72 1t2m s VAL 66 Ca 0.11 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 58.74 1t2m s VAL 66 Cb 0.09 -3.98 0.00 0.00 -1.53 0.00 0.00 36.38 30.96 1t2m s VAL 66 CO 0.23 -0.75 0.00 0.61 -3.33 0.00 0.00 175.10 171.87 1t2m n GLY 67 N 6.56 0.89 0.39 6.54 0.00 -0.69 -4.50 105.19 114.39 1t2m n GLY 67 Ca 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.42 1t2m n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t2m n LEU 68 N 0.00 0.00 -4.90 0.99 4.77 -0.70 -4.58 117.00 112.59 1t2m n LEU 68 Ca 0.00 -0.21 -0.25 0.00 -0.03 0.00 0.00 56.01 55.52 1t2m n LEU 68 Cb 0.00 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 1t2m n LEU 68 CO 0.00 -0.55 0.05 -0.94 -1.33 0.00 0.00 177.39 174.62 1t2m s SER 69 N -1.42 4.69 0.49 -1.43 1.04 -1.26 -4.60 113.70 111.22 1t2m s SER 69 Ca 0.07 -1.15 0.15 0.00 0.48 0.00 0.00 55.95 55.49 1t2m s SER 69 Cb -0.00 0.24 1.18 0.00 0.10 0.00 0.00 66.02 67.54 1t2m s SER 69 CO 0.05 -1.03 2.11 -0.61 0.98 0.00 0.00 173.24 174.74 1t2m h GLN 70 N 0.79 0.13 -0.44 4.02 4.15 -1.95 -1.54 115.11 120.28 1t2m h GLN 70 Ca -0.37 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 58.91 1t2m h GLN 70 Cb 1.29 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.94 1t2m h GLN 70 CO 0.57 0.09 -0.22 1.49 -1.93 0.00 0.00 178.83 178.83 1t2m h GLU 71 N 0.14 0.89 -0.56 1.69 4.57 -1.99 -1.62 114.58 117.71 1t2m h GLU 71 Ca 0.07 -0.37 -0.11 0.00 -1.18 0.00 0.00 59.36 57.76 1t2m h GLU 71 Cb 0.10 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1t2m h GLU 71 CO -0.01 1.02 -0.09 0.00 -1.18 0.00 0.00 179.01 178.75 1t2m h ARG 72 N 0.77 1.04 0.16 1.92 -0.00 -1.68 -0.47 114.38 116.12 1t2m h ARG 72 Ca 0.10 -0.38 -0.01 0.00 -0.50 0.00 0.00 59.98 59.20 1t2m h ARG 72 Cb 0.77 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.67 1t2m h ARG 72 CO 0.06 1.07 -0.07 0.00 0.00 0.00 0.00 179.97 181.03 1t2m h ALA 73 N 0.94 -0.21 -0.74 0.04 0.00 -1.36 -0.66 119.26 117.28 1t2m h ALA 73 Ca 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1t2m h ALA 73 Cb 0.66 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1t2m h ALA 73 CO 0.05 -0.38 0.42 0.00 0.00 0.00 0.00 179.25 179.34 1t2m h ALA 74 N 0.02 1.35 -0.06 0.00 0.00 -1.35 0.05 119.26 119.27 1t2m h ALA 74 Ca -0.02 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1t2m h ALA 74 Cb 0.50 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1t2m h ALA 74 CO 0.04 0.54 -0.56 1.49 0.00 0.00 0.00 179.25 180.76 1t2m h GLU 75 N 1.02 0.18 0.07 0.00 4.57 -1.10 -2.59 114.58 116.73 1t2m h GLU 75 Ca 0.26 -0.11 -0.25 0.00 -1.18 0.00 0.00 59.36 58.08 1t2m h GLU 75 Cb -0.00 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1t2m h GLU 75 CO -0.05 0.69 -1.10 -0.07 -1.18 0.00 0.00 179.01 177.31 1t2m h LEU 76 N 0.14 0.47 -0.83 1.64 3.38 -0.44 -3.07 115.31 116.59 1t2m h LEU 76 Ca -0.00 -0.44 -0.12 0.00 0.09 0.00 0.00 57.88 57.41 1t2m h LEU 76 Cb 1.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1t2m h LEU 76 CO 0.08 1.28 -0.52 0.24 0.09 0.00 0.00 178.44 179.61 1t2m h MET 77 N 0.14 0.16 -0.01 1.13 2.86 -0.98 -3.07 114.93 115.16 1t2m h MET 77 Ca -0.11 -0.09 -0.16 0.00 -2.06 0.00 0.00 59.70 57.28 1t2m h MET 77 Cb 1.78 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.43 1t2m h MET 77 CO 0.18 0.65 -0.73 0.00 1.06 0.00 0.00 176.91 178.07 1t2m h THR 78 N 0.12 1.50 -0.88 2.22 1.03 -1.51 -3.28 112.91 112.11 1t2m h THR 78 Ca 0.00 -2.45 -0.44 0.00 -0.01 0.00 0.00 66.41 63.51 1t2m h THR 78 Cb 0.97 2.32 -0.16 0.00 -1.07 0.00 0.00 68.15 70.21 1t2m h THR 78 CO 0.08 0.70 0.29 -2.11 -0.01 0.00 0.00 175.52 174.47 1t2m n ARG 79 N -3.69 2.30 -4.61 0.00 1.85 -1.16 -4.91 116.66 106.43 1t2m n ARG 79 Ca -0.01 -2.10 -0.28 0.00 -1.00 0.00 0.00 57.85 54.46 1t2m n ARG 79 Cb 0.71 -2.08 -0.10 0.00 -1.05 0.00 0.00 32.46 29.94 1t2m n ARG 79 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1t2m s THR 80 N -1.82 1.72 0.00 8.89 -4.23 -1.24 -5.01 115.64 113.95 1t2m s THR 80 Ca 0.58 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1t2m s THR 80 Cb 0.36 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1t2m s THR 80 CO -0.18 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 172.36 1t2m n SER 81 N -0.98 0.00 -0.03 3.99 3.41 -1.26 -4.97 113.62 113.79 1t2m n SER 81 Ca -0.07 -0.57 0.04 0.00 -0.26 0.00 0.00 58.87 58.02 1t2m n SER 81 Cb 0.67 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 65.03 1t2m n SER 81 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1t2m h SER 82 N 0.00 0.50 -3.78 4.04 4.64 -1.95 -3.42 113.55 113.59 1t2m h SER 82 Ca 0.00 -0.01 -0.69 0.00 -0.47 0.00 0.00 61.79 60.62 1t2m h SER 82 Cb 0.00 -0.12 -0.21 0.00 -0.31 0.00 0.00 62.40 61.76 1t2m h SER 82 CO 0.00 0.36 -0.72 -0.69 -0.87 0.00 0.00 176.83 174.90 1t2m s VAL 83 N -5.52 3.45 -0.05 0.95 1.01 -1.26 -1.45 120.40 117.52 1t2m s VAL 83 Ca -0.08 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1t2m s VAL 83 Cb 0.18 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 34.20 1t2m s VAL 83 CO 0.74 0.59 0.12 -0.69 0.00 0.00 0.00 175.10 175.86 1t2m s VAL 84 N -0.71 -0.05 -0.33 2.92 1.01 -0.10 -4.94 120.40 118.22 1t2m s VAL 84 Ca 0.11 0.18 -0.19 0.00 0.00 0.00 0.00 61.98 62.08 1t2m s VAL 84 Cb -0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 1t2m s VAL 84 CO 0.01 0.07 0.56 0.42 0.00 0.00 0.00 175.10 176.17 1t2m s THR 85 N 1.11 4.98 -0.28 3.92 -4.23 -1.25 -0.03 115.64 119.86 1t2m s THR 85 Ca -0.09 0.59 -0.05 0.00 -1.18 0.00 0.00 61.69 60.97 1t2m s THR 85 Cb -0.11 -3.97 0.02 0.00 1.34 0.00 0.00 72.50 69.78 1t2m s THR 85 CO -0.05 -0.16 0.03 -0.76 -0.54 0.00 0.00 174.62 173.13 1t2m s LEU 86 N 2.49 3.67 -0.69 4.79 2.01 -0.70 0.18 118.68 130.43 1t2m s LEU 86 Ca 0.22 -0.86 -0.27 0.00 0.01 0.00 0.00 54.13 53.23 1t2m s LEU 86 Cb -0.15 -1.79 0.04 0.00 0.01 0.00 0.00 46.19 44.29 1t2m s LEU 86 CO 0.13 -0.19 1.21 -0.70 1.01 0.00 0.00 176.35 177.81 1t2m s GLU 87 N 1.41 3.25 0.13 1.70 2.12 -0.43 -2.11 118.70 124.76 1t2m s GLU 87 Ca 0.01 -0.22 -0.08 0.00 0.36 0.00 0.00 54.97 55.03 1t2m s GLU 87 Cb -0.17 -4.15 -0.06 0.00 0.26 0.00 0.00 34.13 30.01 1t2m s GLU 87 CO -0.00 -2.00 0.42 0.54 -0.54 0.00 0.00 175.26 173.68 1t2m s VAL 88 N 5.33 5.09 -0.14 3.70 0.11 0.20 -1.65 120.40 133.05 1t2m s VAL 88 Ca 0.35 0.31 0.02 0.00 -2.93 0.00 0.00 61.98 59.73 1t2m s VAL 88 Cb -0.09 -3.63 0.01 0.00 -1.53 0.00 0.00 36.38 31.13 1t2m s VAL 88 CO 0.16 0.14 -0.21 0.00 -3.33 0.00 0.00 175.10 171.87 1t2m s ALA 89 N -1.56 2.30 -0.15 1.54 0.00 0.17 -1.07 121.76 122.99 1t2m s ALA 89 Ca 0.38 -1.06 -0.14 0.00 0.00 0.00 0.00 51.96 51.15 1t2m s ALA 89 Cb -0.13 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 1t2m s ALA 89 CO 0.21 0.03 0.30 0.15 0.00 0.00 0.00 175.76 176.45 1t2m s LYS 90 N 0.72 4.19 0.00 0.00 3.01 -1.04 -2.48 119.74 124.14 1t2m s LYS 90 Ca -0.09 0.11 0.00 0.00 -1.01 0.00 0.00 55.97 54.99 1t2m s LYS 90 Cb -0.16 -3.40 0.00 0.00 -1.01 0.00 0.00 37.83 33.26 1t2m s LYS 90 CO 0.01 0.29 0.00 0.00 0.51 0.00 0.00 175.35 176.16 1t2m n GLN 91 N 3.38 0.00 0.00 1.68 0.00 -1.26 -3.40 117.38 117.77 1t2m n GLN 91 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.88 1t2m n GLN 91 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.76 1t2m n GLN 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1t2m n GLY 92 N 0.00 2.38 0.00 2.61 0.00 -1.26 -5.03 105.19 103.89 1t2m n GLY 92 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1t2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32