#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hpf s GLN 2 N 0.00 1.28 -0.08 -0.52 0.74 -1.26 -5.10 119.66 114.72 2hpf s GLN 2 Ca 0.00 -1.49 -0.02 0.00 0.05 0.00 0.00 55.36 53.89 2hpf s GLN 2 Cb 0.00 -1.17 0.04 0.00 1.10 0.00 0.00 33.01 32.98 2hpf s GLN 2 CO 0.00 0.21 0.05 -0.06 -0.55 0.00 0.00 175.29 174.94 2hpf s PHE 3 N -2.58 0.31 0.15 1.67 0.40 -1.26 -5.11 117.98 111.56 2hpf s PHE 3 Ca 0.19 -0.04 -0.30 0.00 -0.60 0.00 0.00 56.93 56.18 2hpf s PHE 3 Cb -0.03 -0.64 -0.07 0.00 0.51 0.00 0.00 43.02 42.79 2hpf s PHE 3 CO 0.06 -0.32 1.06 -1.12 0.70 0.00 0.00 175.22 175.60 2hpf s SER 4 N 2.09 7.34 -0.22 1.36 0.01 -1.26 -4.93 113.70 118.09 2hpf s SER 4 Ca 0.04 1.98 -0.01 0.00 1.31 0.00 0.00 55.95 59.27 2hpf s SER 4 Cb -0.13 -2.60 0.10 0.00 0.21 0.00 0.00 66.02 63.60 2hpf s SER 4 CO -0.05 -0.18 2.23 0.18 0.41 0.00 0.00 173.24 175.83 2hpf n LEU 5 N 2.58 6.05 -0.06 2.44 4.77 -1.26 -4.00 117.00 127.53 2hpf n LEU 5 Ca 0.03 -3.12 -0.05 0.00 -0.03 0.00 0.00 56.01 52.83 2hpf n LEU 5 Cb 0.47 -1.13 -0.02 0.00 -2.33 0.00 0.00 43.42 40.42 2hpf n LEU 5 CO 0.53 1.26 -0.41 0.79 -1.33 0.00 0.00 177.39 178.23 2hpf n TRP 6 N 0.91 0.11 -2.84 -1.77 7.02 -1.26 -4.88 117.44 114.73 2hpf n TRP 6 Ca 0.25 0.05 -0.35 0.00 -1.02 0.00 0.00 57.50 56.43 2hpf n TRP 6 Cb 0.58 -0.38 -0.07 0.00 -2.42 0.00 0.00 31.31 29.02 2hpf n TRP 6 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2hpf s LYS 7 N -2.19 4.36 0.47 -0.99 -0.14 -1.26 -5.06 119.74 114.93 2hpf s LYS 7 Ca -0.18 1.17 -0.25 0.00 -1.36 0.00 0.00 55.97 55.35 2hpf s LYS 7 Cb 0.02 -2.48 -0.08 0.00 -1.68 0.00 0.00 37.83 33.62 2hpf s LYS 7 CO 0.26 0.13 1.42 1.03 -0.76 0.00 0.00 175.35 177.43 2hpf s ARG 8 N -2.65 3.58 -1.37 1.68 0.52 -1.26 -4.88 118.95 114.57 2hpf s ARG 8 Ca 0.56 2.41 -0.07 0.00 -0.52 0.00 0.00 55.73 58.10 2hpf s ARG 8 Cb -0.13 -2.58 0.09 0.00 0.52 0.00 0.00 34.95 32.85 2hpf s ARG 8 CO 0.18 -0.90 2.36 -0.35 0.02 0.00 0.00 175.30 176.61 2hpf n PRO 9 N -0.35 4.17 -2.94 3.54 -0.04 -1.26 -4.97 135.00 133.15 2hpf n PRO 9 Ca 0.06 -3.24 -0.33 0.00 -0.04 0.00 0.00 63.50 59.95 2hpf n PRO 9 Cb 0.42 -2.75 -0.07 0.00 -0.04 0.00 0.00 33.50 31.07 2hpf n PRO 9 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2hpf s VAL 10 N -0.11 4.49 -0.07 0.52 0.11 -1.26 -2.06 120.40 122.02 2hpf s VAL 10 Ca 0.53 1.31 -0.07 0.00 -2.93 0.00 0.00 61.98 60.82 2hpf s VAL 10 Cb 0.16 -3.64 0.02 0.00 -1.53 0.00 0.00 36.38 31.39 2hpf s VAL 10 CO -0.07 -0.23 0.19 0.54 -3.33 0.00 0.00 175.10 172.20 2hpf s VAL 11 N -2.05 0.01 0.06 2.04 0.11 0.62 -4.94 120.40 116.24 2hpf s VAL 11 Ca 0.58 -0.05 -0.26 0.00 -2.93 0.00 0.00 61.98 59.31 2hpf s VAL 11 Cb -0.10 -0.29 -0.06 0.00 -1.53 0.00 0.00 36.38 34.40 2hpf s VAL 11 CO 0.15 -0.03 0.80 0.42 -3.33 0.00 0.00 175.10 173.12 2hpf s THR 12 N -0.02 4.69 0.38 5.04 -4.23 -1.26 0.42 115.64 120.65 2hpf s THR 12 Ca -0.01 1.71 0.04 0.00 -1.18 0.00 0.00 61.69 62.25 2hpf s THR 12 Cb -0.02 -4.15 -0.03 0.00 1.34 0.00 0.00 72.50 69.64 2hpf s THR 12 CO 0.00 0.35 0.12 0.00 -0.54 0.00 0.00 174.62 174.56 2hpf s ALA 13 N -0.04 2.70 -0.29 3.99 0.00 1.62 -4.68 121.76 125.06 2hpf s ALA 13 Ca 0.40 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 2hpf s ALA 13 Cb -0.21 0.79 0.09 0.00 0.00 0.00 0.00 23.12 23.80 2hpf s ALA 13 CO 0.24 -0.36 0.08 0.71 0.00 0.00 0.00 175.76 176.44 2hpf s TYR 14 N -3.28 1.67 -1.19 0.00 2.02 -1.09 -0.17 117.35 115.31 2hpf s TYR 14 Ca 0.27 -1.64 -0.11 0.00 -0.37 0.00 0.00 57.07 55.22 2hpf s TYR 14 Cb 0.04 -1.63 0.21 0.00 -0.40 0.00 0.00 41.96 40.17 2hpf s TYR 14 CO 0.15 -0.84 1.44 -0.89 -1.57 0.00 0.00 175.55 173.84 2hpf n ILE 15 N 4.86 4.45 -2.42 2.71 5.41 -0.56 -1.94 119.36 131.88 2hpf n ILE 15 Ca -0.03 -4.94 -0.07 0.00 1.00 0.00 0.00 62.75 58.70 2hpf n ILE 15 Cb 0.43 -2.44 0.04 0.00 -0.71 0.00 0.00 39.64 36.95 2hpf n ILE 15 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2hpf n GLU 16 N 4.20 -1.61 -0.86 0.38 1.02 -0.51 -3.65 120.64 119.61 2hpf n GLU 16 Ca 0.33 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 2hpf n GLU 16 Cb 0.40 -3.69 0.00 0.00 -0.02 0.00 0.00 31.44 28.12 2hpf n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hpf n GLY 17 N -1.29 1.22 3.43 0.62 0.00 -1.26 -5.03 105.19 102.89 2hpf n GLY 17 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2hpf n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hpf s GLN 18 N -0.02 3.62 -0.14 1.61 -0.21 -1.24 -5.04 119.66 118.23 2hpf s GLN 18 Ca 0.00 -0.51 -0.26 0.00 0.02 0.00 0.00 55.36 54.62 2hpf s GLN 18 Cb 0.00 -3.21 -0.02 0.00 1.00 0.00 0.00 33.01 30.79 2hpf s GLN 18 CO 0.00 -0.12 0.85 -1.25 -2.12 0.00 0.00 175.29 172.65 2hpf s PRO 19 N 1.38 4.34 -0.06 2.91 0.04 -1.26 -1.49 135.00 140.86 2hpf s PRO 19 Ca 0.05 1.06 -0.04 0.00 0.04 0.00 0.00 61.00 62.11 2hpf s PRO 19 Cb -0.15 -3.55 0.02 0.00 0.04 0.00 0.00 34.50 30.86 2hpf s PRO 19 CO 0.02 -0.28 0.14 0.08 0.04 0.00 0.00 177.00 177.00 2hpf s VAL 20 N 1.95 -0.02 -0.23 -0.36 1.01 0.77 -4.98 120.40 118.54 2hpf s VAL 20 Ca 0.40 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.32 2hpf s VAL 20 Cb -0.17 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.95 2hpf s VAL 20 CO 0.14 0.03 0.22 -0.70 0.00 0.00 0.00 175.10 174.78 2hpf s GLU 21 N 0.45 4.08 0.14 2.72 2.12 -1.26 0.46 118.70 127.42 2hpf s GLU 21 Ca -0.03 -0.16 0.07 0.00 0.36 0.00 0.00 54.97 55.21 2hpf s GLU 21 Cb -0.05 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 2hpf s GLU 21 CO -0.02 0.02 -0.17 0.14 -0.54 0.00 0.00 175.26 174.69 2hpf s VAL 22 N 1.17 1.62 -0.13 3.70 -7.23 1.40 -4.57 120.40 116.36 2hpf s VAL 22 Ca 0.10 -1.80 -0.09 0.00 -1.81 0.00 0.00 61.98 58.38 2hpf s VAL 22 Cb -0.14 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 2hpf s VAL 22 CO 0.06 -0.33 0.17 -0.22 -0.31 0.00 0.00 175.10 174.46 2hpf s LEU 23 N -2.51 4.34 -0.98 1.32 2.96 0.16 -0.27 118.68 123.70 2hpf s LEU 23 Ca 0.12 0.45 -0.19 0.00 -0.22 0.00 0.00 54.13 54.29 2hpf s LEU 23 Cb -0.06 -2.13 0.12 0.00 0.50 0.00 0.00 46.19 44.62 2hpf s LEU 23 CO 0.05 0.33 1.23 -0.76 -1.32 0.00 0.00 176.35 175.88 2hpf s LEU 24 N -0.61 4.77 -0.39 -0.68 1.02 -0.88 -1.12 118.68 120.79 2hpf s LEU 24 Ca 0.14 -2.06 -0.16 0.00 0.02 0.00 0.00 54.13 52.07 2hpf s LEU 24 Cb -0.12 -2.43 0.01 0.00 0.02 0.00 0.00 46.19 43.67 2hpf s LEU 24 CO 0.03 -1.11 0.41 -0.62 0.02 0.00 0.00 176.35 175.08 2hpf s ASP 25 N 3.78 6.19 0.00 2.29 -1.08 -0.86 -4.88 116.67 122.11 2hpf s ASP 25 Ca 0.36 -0.53 0.28 0.00 -0.52 0.00 0.00 52.55 52.14 2hpf s ASP 25 Cb -0.04 -2.21 0.98 0.00 -1.46 0.00 0.00 42.92 40.19 2hpf s ASP 25 CO -0.08 -0.49 1.70 0.35 0.52 0.00 0.00 175.17 177.17 2hpf n THR 26 N 5.36 0.00 0.23 1.71 -2.24 -1.26 -2.77 114.28 115.31 2hpf n THR 26 Ca -0.08 -0.17 0.10 0.00 -2.27 0.00 0.00 64.05 61.63 2hpf n THR 26 Cb 0.48 0.36 0.19 0.00 -2.10 0.00 0.00 70.33 69.27 2hpf n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hpf n GLY 27 N 1.24 1.68 3.35 3.38 0.00 -1.26 -4.83 105.19 108.75 2hpf n GLY 27 Ca 0.16 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 2hpf n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hpf s ALA 28 N -1.35 3.23 0.23 4.61 0.00 -1.11 -4.97 121.76 122.40 2hpf s ALA 28 Ca 0.35 -1.72 -0.16 0.00 0.00 0.00 0.00 51.96 50.42 2hpf s ALA 28 Cb 0.20 -2.52 0.25 0.00 0.00 0.00 0.00 23.12 21.05 2hpf s ALA 28 CO 0.28 -1.37 1.57 -0.44 0.00 0.00 0.00 175.76 175.79 2hpf h ASP 29 N 8.39 -1.21 -2.22 0.00 3.32 -1.88 1.21 116.42 124.02 2hpf h ASP 29 Ca -0.25 0.28 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2hpf h ASP 29 Cb 1.10 0.66 0.00 0.00 0.22 0.00 0.00 39.33 41.31 2hpf h ASP 29 CO 0.65 -0.29 0.00 0.47 -1.72 0.00 0.00 179.24 178.35 2hpf n ASP 30 N -5.49 1.14 -3.90 6.45 9.92 -1.26 -2.73 116.55 120.68 2hpf n ASP 30 Ca 0.10 -0.40 -0.16 0.00 -0.53 0.00 0.00 54.79 53.80 2hpf n ASP 30 Cb 0.40 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.73 2hpf n ASP 30 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2hpf s SER 31 N -0.31 0.51 0.21 -2.24 0.01 -1.26 0.28 113.70 110.90 2hpf s SER 31 Ca 0.00 -0.07 0.03 0.00 1.31 0.00 0.00 55.95 57.22 2hpf s SER 31 Cb 0.00 -0.15 -0.05 0.00 0.21 0.00 0.00 66.02 66.03 2hpf s SER 31 CO 0.00 -0.00 0.00 -0.63 0.41 0.00 0.00 173.24 173.02 2hpf s ILE 32 N 0.33 0.88 0.00 1.44 1.01 0.24 -2.55 121.20 122.55 2hpf s ILE 32 Ca -0.03 -2.01 0.00 0.00 0.00 0.00 0.00 60.65 58.60 2hpf s ILE 32 Cb -0.07 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.14 2hpf s ILE 32 CO -0.01 -0.37 0.00 0.52 0.00 0.00 0.00 174.94 175.08 2hpf n VAL 33 N -0.35 0.00 -3.61 2.92 0.31 -1.11 -1.68 118.33 114.81 2hpf n VAL 33 Ca -0.05 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.94 2hpf n VAL 33 Cb 0.64 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.51 2hpf n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hpf s ALA 34 N 0.00 3.75 0.00 3.52 0.00 -1.19 -3.22 121.76 124.61 2hpf s ALA 34 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.51 2hpf s ALA 34 Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.90 2hpf s ALA 34 CO 0.00 0.60 0.00 0.41 0.00 0.00 0.00 175.76 176.77 2hpf n GLY 35 N 0.58 1.19 3.06 0.00 0.00 -1.26 -4.99 105.19 103.77 2hpf n GLY 35 Ca -0.06 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 2hpf n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2hpf s ILE 36 N -2.00 0.32 -0.47 -0.61 -4.36 -1.26 -5.12 121.20 107.70 2hpf s ILE 36 Ca 0.00 -1.41 0.04 0.00 -0.26 0.00 0.00 60.65 59.02 2hpf s ILE 36 Cb 0.00 -0.98 0.12 0.00 1.25 0.00 0.00 42.46 42.86 2hpf s ILE 36 CO 0.00 -0.71 0.20 -0.70 0.24 0.00 0.00 174.94 173.97 2hpf s GLU 37 N -2.69 1.82 0.18 0.37 2.56 -1.26 -5.00 118.70 114.68 2hpf s GLU 37 Ca -0.03 -2.41 0.02 0.00 0.00 0.00 0.00 54.97 52.55 2hpf s GLU 37 Cb -0.02 -3.27 0.05 0.00 2.00 0.00 0.00 34.13 32.90 2hpf s GLU 37 CO -0.04 -1.06 1.42 -0.07 -0.56 0.00 0.00 175.26 174.94 2hpf h LEU 38 N 6.81 0.33 0.00 2.70 3.38 -2.00 -3.50 115.31 123.03 2hpf h LEU 38 Ca -0.07 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2hpf h LEU 38 Cb 0.93 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2hpf h LEU 38 CO 0.64 0.99 0.00 0.61 0.09 0.00 0.00 178.44 180.77 2hpf n GLY 39 N 0.69 0.35 0.30 0.83 0.00 -1.26 -4.97 105.19 101.13 2hpf n GLY 39 Ca -0.04 -1.57 0.04 0.00 0.00 0.00 0.00 46.02 44.46 2hpf n GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2hpf n ASN 40 N 0.19 1.07 -2.48 1.61 5.15 -1.26 -4.80 115.26 114.73 2hpf n ASN 40 Ca 0.00 -2.48 -0.30 0.00 -0.60 0.00 0.00 54.58 51.20 2hpf n ASN 40 Cb 0.00 -0.30 0.02 0.00 -0.53 0.00 0.00 39.78 38.97 2hpf n ASN 40 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 2hpf n ASN 41 N -0.65 5.62 -5.02 1.20 6.94 -1.26 -4.99 115.26 117.10 2hpf n ASN 41 Ca 0.07 -3.76 -0.19 0.00 -0.02 0.00 0.00 54.58 50.69 2hpf n ASN 41 Cb 0.67 -0.62 0.04 0.00 -2.36 0.00 0.00 39.78 37.51 2hpf n ASN 41 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 2hpf s TYR 42 N -3.69 1.92 -0.06 -2.53 1.13 -1.26 -4.43 117.35 108.43 2hpf s TYR 42 Ca 0.51 -0.60 -0.02 0.00 -1.41 0.00 0.00 57.07 55.55 2hpf s TYR 42 Cb 0.42 -2.28 0.04 0.00 -1.10 0.00 0.00 41.96 39.03 2hpf s TYR 42 CO -0.19 -0.90 0.11 0.45 -2.51 0.00 0.00 175.55 172.52 2hpf s SER 43 N -4.55 0.21 0.03 -0.18 0.15 -1.14 -4.86 113.70 103.37 2hpf s SER 43 Ca 0.59 0.23 -0.31 0.00 0.70 0.00 0.00 55.95 57.16 2hpf s SER 43 Cb -0.07 0.12 -0.10 0.00 -1.71 0.00 0.00 66.02 64.25 2hpf s SER 43 CO 0.37 -0.17 1.94 -2.65 1.20 0.00 0.00 173.24 173.92 2hpf n PRO 44 N 4.52 2.74 -4.15 5.44 -0.02 -1.26 -0.45 135.00 141.82 2hpf n PRO 44 Ca -0.20 1.00 -0.13 0.00 -2.02 0.00 0.00 63.50 62.15 2hpf n PRO 44 Cb 0.51 -2.93 -0.11 0.00 -0.02 0.00 0.00 33.50 30.95 2hpf n PRO 44 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2hpf s LYS 45 N 4.10 0.78 -0.05 -0.52 -0.14 -0.81 -4.92 119.74 118.19 2hpf s LYS 45 Ca 0.89 -1.14 0.04 0.00 -1.36 0.00 0.00 55.97 54.39 2hpf s LYS 45 Cb -0.49 -0.37 0.00 0.00 -1.68 0.00 0.00 37.83 35.29 2hpf s LYS 45 CO 0.43 0.04 -0.15 0.42 -0.76 0.00 0.00 175.35 175.33 2hpf s ILE 46 N -2.64 1.26 -0.03 2.17 1.01 -1.26 0.11 121.20 121.83 2hpf s ILE 46 Ca 0.05 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.11 2hpf s ILE 46 Cb -0.01 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.35 2hpf s ILE 46 CO -0.02 0.37 -0.09 0.68 0.00 0.00 0.00 174.94 175.89 2hpf s VAL 47 N 0.20 0.78 0.26 2.92 -7.23 -0.86 -4.90 120.40 111.56 2hpf s VAL 47 Ca -0.06 -0.36 -0.06 0.00 -1.81 0.00 0.00 61.98 59.70 2hpf s VAL 47 Cb -0.12 -0.70 -0.06 0.00 0.56 0.00 0.00 36.38 36.06 2hpf s VAL 47 CO 0.02 0.25 0.52 -0.83 -0.31 0.00 0.00 175.10 174.75 2hpf s GLY 48 N 0.23 1.98 0.00 2.32 0.00 -1.26 0.10 107.32 110.68 2hpf s GLY 48 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.16 2hpf s GLY 48 CO 0.01 -0.41 0.00 0.61 0.00 0.00 0.00 173.10 173.30 2hpf n GLY 49 N -0.65 5.98 0.16 0.20 0.00 1.46 -4.93 105.19 107.41 2hpf n GLY 49 Ca -0.02 -1.89 0.12 0.00 0.00 0.00 0.00 46.02 44.23 2hpf n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2hpf h ILE 50 N 0.35 0.00 -0.05 -0.61 2.10 -2.03 -2.99 117.51 114.28 2hpf h ILE 50 Ca 0.00 -0.98 0.00 0.00 1.08 0.00 0.00 64.86 64.96 2hpf h ILE 50 Cb 0.00 1.71 0.00 0.00 -1.09 0.00 0.00 36.82 37.44 2hpf h ILE 50 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.68 2hpf n GLY 51 N 1.15 1.18 0.00 8.18 0.00 -1.26 -5.14 105.19 109.31 2hpf n GLY 51 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2hpf n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hpf n GLY 52 N -0.08 0.86 3.80 -0.02 0.00 -1.13 -5.12 105.19 103.50 2hpf n GLY 52 Ca 0.02 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 2hpf n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hpf s PHE 53 N -2.84 3.35 0.41 1.61 0.08 -1.26 0.43 117.98 119.77 2hpf s PHE 53 Ca 0.00 0.29 0.03 0.00 0.12 0.00 0.00 56.93 57.37 2hpf s PHE 53 Cb 0.00 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 2hpf s PHE 53 CO 0.00 0.58 0.10 0.96 -0.10 0.00 0.00 175.22 176.77 2hpf s ILE 54 N -1.12 0.76 -0.12 0.64 -4.36 0.11 -4.95 121.20 112.16 2hpf s ILE 54 Ca 0.20 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 2hpf s ILE 54 Cb -0.12 -2.38 -0.02 0.00 1.25 0.00 0.00 42.46 41.19 2hpf s ILE 54 CO 0.10 0.00 -0.13 0.20 0.24 0.00 0.00 174.94 175.35 2hpf s ASN 55 N -3.63 4.02 0.50 4.36 0.01 -1.25 -2.04 114.94 116.91 2hpf s ASN 55 Ca 0.23 -0.31 0.01 0.00 -0.71 0.00 0.00 52.86 52.08 2hpf s ASN 55 Cb 0.03 -1.55 -0.01 0.00 0.41 0.00 0.00 41.25 40.13 2hpf s ASN 55 CO 0.13 0.18 0.02 0.42 -1.51 0.00 0.00 177.10 176.34 2hpf s THR 56 N 0.25 1.08 -0.06 1.60 -4.23 0.31 -4.46 115.64 110.12 2hpf s THR 56 Ca -0.09 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.46 2hpf s THR 56 Cb -0.15 -2.17 -0.00 0.00 1.34 0.00 0.00 72.50 71.52 2hpf s THR 56 CO 0.05 0.00 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.18 2hpf s LEU 57 N -3.85 1.94 -0.43 4.79 1.43 0.59 -1.92 118.68 121.23 2hpf s LEU 57 Ca 0.07 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 2hpf s LEU 57 Cb 0.02 -1.13 0.11 0.00 0.03 0.00 0.00 46.19 45.22 2hpf s LEU 57 CO 0.04 0.15 0.25 -0.70 0.23 0.00 0.00 176.35 176.32 2hpf s GLU 58 N 0.17 2.14 -0.32 1.70 2.12 0.41 0.95 118.70 125.87 2hpf s GLU 58 Ca -0.09 -1.81 -0.11 0.00 0.36 0.00 0.00 54.97 53.33 2hpf s GLU 58 Cb -0.14 -3.69 -0.01 0.00 0.26 0.00 0.00 34.13 30.55 2hpf s GLU 58 CO 0.04 -1.11 0.18 0.71 -0.54 0.00 0.00 175.26 174.55 2hpf s TYR 59 N 1.20 3.20 0.41 5.30 1.51 0.28 -2.88 117.35 126.38 2hpf s TYR 59 Ca 0.08 -0.46 -0.20 0.00 -1.01 0.00 0.00 57.07 55.47 2hpf s TYR 59 Cb -0.24 -2.40 -0.11 0.00 -0.11 0.00 0.00 41.96 39.11 2hpf s TYR 59 CO -0.03 -0.43 0.92 0.15 -1.11 0.00 0.00 175.55 175.05 2hpf s LYS 60 N 1.65 4.21 -0.87 -0.62 1.02 -1.26 -2.52 119.74 121.35 2hpf s LYS 60 Ca 0.05 1.06 -0.05 0.00 0.02 0.00 0.00 55.97 57.05 2hpf s LYS 60 Cb -0.17 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 2hpf s LYS 60 CO 0.08 0.01 0.67 -1.71 -0.92 0.00 0.00 175.35 173.48 2hpf n ASN 61 N -0.54 -5.77 -4.58 2.83 2.85 -1.10 -4.96 115.26 103.98 2hpf n ASN 61 Ca 0.06 -0.73 -0.39 0.00 -0.11 0.00 0.00 54.58 53.41 2hpf n ASN 61 Cb 0.54 -3.03 -0.10 0.00 1.24 0.00 0.00 39.78 38.43 2hpf n ASN 61 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2hpf s VAL 62 N -3.10 5.22 0.01 3.44 1.01 -0.15 -4.77 120.40 122.05 2hpf s VAL 62 Ca 0.11 0.30 -0.38 0.00 0.00 0.00 0.00 61.98 62.01 2hpf s VAL 62 Cb -0.04 -3.67 -0.17 0.00 0.00 0.00 0.00 36.38 32.49 2hpf s VAL 62 CO 0.85 0.13 1.33 1.21 0.00 0.00 0.00 175.10 178.62 2hpf n GLU 63 N 5.25 0.85 -3.74 2.72 2.13 -1.26 -2.28 120.64 124.32 2hpf n GLU 63 Ca -0.10 0.31 -0.12 0.00 0.66 0.00 0.00 57.16 57.90 2hpf n GLU 63 Cb 0.51 -1.92 -0.11 0.00 0.27 0.00 0.00 31.44 30.19 2hpf n GLU 63 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2hpf s ILE 64 N 0.77 -0.01 -0.23 6.31 1.01 0.62 -1.42 121.20 128.24 2hpf s ILE 64 Ca 0.88 0.05 -0.04 0.00 0.00 0.00 0.00 60.65 61.54 2hpf s ILE 64 Cb -1.06 -0.50 0.09 0.00 0.01 0.00 0.00 42.46 41.01 2hpf s ILE 64 CO 0.52 0.02 0.15 -1.61 0.00 0.00 0.00 174.94 174.02 2hpf s GLU 65 N 0.67 0.16 -0.10 2.79 2.02 -0.82 -1.89 118.70 121.53 2hpf s GLU 65 Ca -0.04 -0.22 -0.07 0.00 0.02 0.00 0.00 54.97 54.66 2hpf s GLU 65 Cb -0.05 -1.36 0.03 0.00 0.10 0.00 0.00 34.13 32.86 2hpf s GLU 65 CO -0.04 -0.84 0.25 0.54 0.02 0.00 0.00 175.26 175.18 2hpf s VAL 66 N 2.18 -0.02 -0.40 2.63 0.11 -1.07 -2.67 120.40 121.15 2hpf s VAL 66 Ca 0.06 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 2hpf s VAL 66 Cb -0.16 -0.36 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 2hpf s VAL 66 CO -0.23 0.03 0.00 0.18 -3.33 0.00 0.00 175.10 171.75 2hpf n LEU 67 N 3.50 0.11 0.00 2.54 4.77 -1.26 -2.80 117.00 123.85 2hpf n LEU 67 Ca -0.18 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2hpf n LEU 67 Cb 0.56 -1.70 0.00 0.00 -2.33 0.00 0.00 43.42 39.95 2hpf n LEU 67 CO 0.16 -0.58 0.00 -3.20 -1.33 0.00 0.00 177.39 172.44 2hpf n ASN 68 N -0.36 -0.45 -4.25 -1.43 2.85 -1.26 -5.05 115.26 105.31 2hpf n ASN 68 Ca -0.04 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.29 2hpf n ASN 68 Cb 0.32 -0.10 -0.10 0.00 1.24 0.00 0.00 39.78 41.14 2hpf n ASN 68 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2hpf s LYS 69 N -0.78 1.06 -0.04 1.20 -0.14 -1.12 -5.16 119.74 114.76 2hpf s LYS 69 Ca 0.00 -1.45 0.07 0.00 -1.36 0.00 0.00 55.97 53.23 2hpf s LYS 69 Cb 0.00 -0.61 -0.01 0.00 -1.68 0.00 0.00 37.83 35.52 2hpf s LYS 69 CO 0.00 0.07 -0.25 0.15 -0.76 0.00 0.00 175.35 174.56 2hpf s LYS 70 N -3.75 2.33 -0.00 1.68 1.02 -1.26 -2.61 119.74 117.15 2hpf s LYS 70 Ca 0.17 -0.91 0.01 0.00 0.02 0.00 0.00 55.97 55.25 2hpf s LYS 70 Cb 0.03 -2.09 -0.00 0.00 -0.52 0.00 0.00 37.83 35.24 2hpf s LYS 70 CO 0.00 0.46 -0.02 0.14 -0.92 0.00 0.00 175.35 175.01 2hpf s VAL 71 N -0.36 0.18 -0.08 3.17 -7.23 -0.79 -5.01 120.40 110.28 2hpf s VAL 71 Ca 0.03 -0.11 -0.00 0.00 -1.81 0.00 0.00 61.98 60.09 2hpf s VAL 71 Cb -0.12 -0.16 0.02 0.00 0.56 0.00 0.00 36.38 36.68 2hpf s VAL 71 CO 0.02 0.05 -0.04 -0.13 -0.31 0.00 0.00 175.10 174.68 2hpf s ARG 72 N -0.06 1.06 0.14 4.82 0.52 -1.26 -0.28 118.95 123.89 2hpf s ARG 72 Ca 0.01 -0.09 -0.07 0.00 -0.52 0.00 0.00 55.73 55.06 2hpf s ARG 72 Cb -0.01 -1.22 0.03 0.00 0.52 0.00 0.00 34.95 34.26 2hpf s ARG 72 CO -0.00 -0.24 0.35 0.00 0.02 0.00 0.00 175.30 175.43 2hpf n ALA 73 N 4.85 -0.84 -3.57 2.13 0.00 -0.97 -4.82 120.51 117.29 2hpf n ALA 73 Ca -0.12 -0.49 -0.36 0.00 0.00 0.00 0.00 53.44 52.46 2hpf n ALA 73 Cb 0.50 0.36 -0.13 0.00 0.00 0.00 0.00 19.45 20.19 2hpf n ALA 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2hpf s THR 74 N -2.55 3.31 -0.19 0.00 2.01 -1.26 -0.98 115.64 115.98 2hpf s THR 74 Ca 0.07 -1.51 -0.09 0.00 0.31 0.00 0.00 61.69 60.47 2hpf s THR 74 Cb -0.02 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.44 2hpf s THR 74 CO 0.04 -0.30 0.12 -0.63 -0.69 0.00 0.00 174.62 173.16 2hpf s ILE 75 N 1.26 5.36 -0.06 1.82 -1.09 -1.05 -4.41 121.20 123.03 2hpf s ILE 75 Ca -0.00 0.17 -0.06 0.00 -2.23 0.00 0.00 60.65 58.53 2hpf s ILE 75 Cb -0.21 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 2hpf s ILE 75 CO -0.01 0.46 0.18 -0.32 -1.23 0.00 0.00 174.94 174.03 2hpf s MET 76 N 0.19 3.47 -0.24 2.79 1.75 -1.06 -0.55 119.30 125.66 2hpf s MET 76 Ca 0.08 -0.17 0.01 0.00 -1.25 0.00 0.00 55.69 54.36 2hpf s MET 76 Cb -0.11 -3.14 0.04 0.00 2.84 0.00 0.00 34.83 34.45 2hpf s MET 76 CO -0.01 0.72 -0.11 0.95 -0.65 0.00 0.00 175.02 175.92 2hpf s THR 77 N -1.17 2.38 0.00 10.11 -4.23 0.27 -2.75 115.64 120.25 2hpf s THR 77 Ca 0.21 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 2hpf s THR 77 Cb -0.13 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.46 2hpf s THR 77 CO 0.11 0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.97 2hpf n GLY 78 N 4.55 4.04 3.43 3.99 0.00 -1.20 0.22 105.19 120.22 2hpf n GLY 78 Ca -0.16 -1.32 -0.44 0.00 0.00 0.00 0.00 46.02 44.10 2hpf n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hpf s ASP 79 N 0.34 6.81 -0.21 1.61 -1.08 -1.26 -3.19 116.67 119.69 2hpf s ASP 79 Ca 0.00 -2.48 -0.11 0.00 -0.52 0.00 0.00 52.55 49.44 2hpf s ASP 79 Cb 0.00 -2.36 -0.05 0.00 -1.46 0.00 0.00 42.92 39.05 2hpf s ASP 79 CO 0.00 -0.87 0.20 0.28 0.52 0.00 0.00 175.17 175.30 2hpf s THR 80 N 1.83 5.35 0.24 1.71 -1.32 -1.26 -5.00 115.64 117.19 2hpf s THR 80 Ca 0.33 0.30 -0.06 0.00 -1.21 0.00 0.00 61.69 61.06 2hpf s THR 80 Cb -0.05 -3.54 0.23 0.00 -1.51 0.00 0.00 72.50 67.63 2hpf s THR 80 CO -0.07 0.37 1.68 1.55 -2.21 0.00 0.00 174.62 175.95 2hpf h PRO 81 N 7.09 0.25 -5.99 7.08 0.13 -2.02 -3.42 132.00 135.13 2hpf h PRO 81 Ca -0.39 -0.02 -0.59 0.00 -0.87 0.00 0.00 66.00 64.14 2hpf h PRO 81 Cb 1.16 -0.06 -0.28 0.00 0.13 0.00 0.00 31.00 31.95 2hpf h PRO 81 CO 0.71 0.17 -0.85 0.42 -0.23 0.00 0.00 178.00 178.22 2hpf s ILE 82 N -6.06 1.60 -0.07 -3.56 1.01 -1.26 -5.06 121.20 107.80 2hpf s ILE 82 Ca -0.13 -0.99 -0.30 0.00 0.00 0.00 0.00 60.65 59.24 2hpf s ILE 82 Cb 0.21 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.30 2hpf s ILE 82 CO 0.75 0.35 1.01 0.20 0.00 0.00 0.00 174.94 177.26 2hpf s ASN 83 N -0.75 7.27 -0.03 3.58 0.01 -1.26 -4.75 114.94 119.02 2hpf s ASN 83 Ca 0.08 1.59 0.07 0.00 -0.71 0.00 0.00 52.86 53.88 2hpf s ASN 83 Cb -0.08 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 39.00 2hpf s ASN 83 CO 0.00 -0.40 -0.23 0.27 -1.51 0.00 0.00 177.10 175.23 2hpf s ILE 84 N 1.72 1.84 -0.15 0.60 -4.36 -0.67 0.37 121.20 120.55 2hpf s ILE 84 Ca 0.50 -0.98 -0.05 0.00 -0.26 0.00 0.00 60.65 59.87 2hpf s ILE 84 Cb -0.20 -1.54 -0.03 0.00 1.25 0.00 0.00 42.46 41.94 2hpf s ILE 84 CO 0.21 0.52 0.01 -0.36 0.24 0.00 0.00 174.94 175.56 2hpf s PHE 85 N -0.38 3.16 0.23 1.37 0.08 -0.28 0.81 117.98 122.97 2hpf s PHE 85 Ca 0.04 -0.02 0.03 0.00 0.12 0.00 0.00 56.93 57.11 2hpf s PHE 85 Cb -0.10 -1.96 0.03 0.00 -0.57 0.00 0.00 43.02 40.42 2hpf s PHE 85 CO 0.01 0.18 0.29 0.41 -0.10 0.00 0.00 175.22 176.01 2hpf n GLY 86 N 3.14 2.15 0.29 4.36 0.00 0.78 -2.03 105.19 113.89 2hpf n GLY 86 Ca -0.17 -2.18 0.11 0.00 0.00 0.00 0.00 46.02 43.78 2hpf n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2hpf h ARG 87 N 0.00 0.00 -0.51 1.61 3.08 0.15 0.46 114.38 119.16 2hpf h ARG 87 Ca -0.12 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.04 2hpf h ARG 87 Cb 0.50 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.46 2hpf h ARG 87 CO 0.17 0.00 -0.05 -2.95 -1.07 0.00 0.00 179.97 176.07 2hpf h ASN 88 N 0.00 -0.32 0.48 7.04 -1.07 -1.73 -3.05 115.58 116.92 2hpf h ASN 88 Ca 0.05 0.14 -0.29 0.00 0.07 0.00 0.00 56.30 56.26 2hpf h ASN 88 Cb 0.21 0.26 -0.04 0.00 -2.07 0.00 0.00 38.32 36.68 2hpf h ASN 88 CO -0.00 -0.12 -1.69 0.40 0.07 0.00 0.00 177.43 176.09 2hpf h ILE 89 N 0.07 0.88 -0.83 6.14 2.04 -0.57 -3.34 117.51 121.89 2hpf h ILE 89 Ca 0.26 -2.71 0.19 0.00 1.00 0.00 0.00 64.86 63.60 2hpf h ILE 89 Cb 0.40 2.46 -0.12 0.00 -0.74 0.00 0.00 36.82 38.82 2hpf h ILE 89 CO -0.47 0.56 0.31 -0.07 0.00 0.00 0.00 178.15 178.48 2hpf h LEU 90 N 0.01 0.22 -0.62 1.44 4.07 -0.77 -2.18 115.31 117.47 2hpf h LEU 90 Ca -0.28 0.15 -0.13 0.00 0.08 0.00 0.00 57.88 57.69 2hpf h LEU 90 Cb 2.00 0.15 -0.02 0.00 1.08 0.00 0.00 40.66 43.87 2hpf h LEU 90 CO 0.09 0.00 -0.63 0.71 -1.08 0.00 0.00 178.44 177.53 2hpf h THR 91 N 0.37 1.34 -0.69 0.22 1.35 -1.73 0.41 112.91 114.18 2hpf h THR 91 Ca 0.49 -2.23 -0.01 0.00 -0.55 0.00 0.00 66.41 64.11 2hpf h THR 91 Cb 0.88 2.24 -0.03 0.00 -1.73 0.00 0.00 68.15 69.51 2hpf h THR 91 CO -0.51 0.62 0.40 0.00 -0.25 0.00 0.00 175.52 175.78 2hpf h ALA 92 N 1.37 0.88 -0.10 6.62 0.00 -1.64 -3.16 119.26 123.23 2hpf h ALA 92 Ca -0.01 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 2hpf h ALA 92 Cb 1.19 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.71 2hpf h ALA 92 CO 0.08 0.37 -0.59 -0.07 0.00 0.00 0.00 179.25 179.04 2hpf h LEU 93 N 0.94 0.69 -0.13 0.00 3.38 -1.25 -3.48 115.31 115.46 2hpf h LEU 93 Ca 0.25 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2hpf h LEU 93 Cb -0.01 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2hpf h LEU 93 CO -0.04 1.24 0.00 0.61 0.09 0.00 0.00 178.44 180.33 2hpf n GLY 94 N 0.76 0.86 3.90 0.83 0.00 0.13 -5.09 105.19 106.58 2hpf n GLY 94 Ca -0.08 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 2hpf n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2hpf s MET 95 N -0.25 3.64 0.16 1.61 -1.94 -0.34 -5.02 119.30 117.16 2hpf s MET 95 Ca 0.00 -0.01 0.02 0.00 -1.71 0.00 0.00 55.69 53.99 2hpf s MET 95 Cb 0.00 -2.70 -0.01 0.00 2.01 0.00 0.00 34.83 34.13 2hpf s MET 95 CO 0.00 0.29 0.16 -1.13 -0.01 0.00 0.00 175.02 174.33 2hpf n SER 96 N -0.64 -0.43 -4.18 3.03 3.41 -1.26 -4.57 113.62 108.98 2hpf n SER 96 Ca -0.02 -1.99 -0.39 0.00 -0.26 0.00 0.00 58.87 56.21 2hpf n SER 96 Cb 0.53 0.92 -0.10 0.00 -0.26 0.00 0.00 64.21 65.30 2hpf n SER 96 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2hpf s LEU 97 N 0.00 5.52 -0.23 1.04 1.43 -1.26 -5.08 118.68 120.10 2hpf s LEU 97 Ca 0.17 -1.96 -0.20 0.00 -1.03 0.00 0.00 54.13 51.11 2hpf s LEU 97 Cb 0.00 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 2hpf s LEU 97 CO 0.12 -0.63 0.63 0.20 0.23 0.00 0.00 176.35 176.89 2hpf s ASN 98 N 2.34 6.63 0.00 2.29 0.01 -1.26 -5.29 114.94 119.65 2hpf s ASN 98 Ca 0.07 0.76 0.26 0.00 -0.71 0.00 0.00 52.86 53.24 2hpf s ASN 98 Cb -0.25 -2.34 0.73 0.00 0.41 0.00 0.00 41.25 39.80 2hpf s ASN 98 CO -0.02 -0.32 1.56 -0.11 -1.51 0.00 0.00 177.10 176.70