#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1orm n THR 2 N 0.00 0.00 -3.77 0.00 -1.04 -1.19 -4.55 114.28 103.72 1orm n THR 2 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 1orm n THR 2 Cb 0.00 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.34 1orm n THR 2 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1orm s SER 3 N 0.00 2.68 -0.29 8.00 0.01 -1.26 -4.60 113.70 118.23 1orm s SER 3 Ca 0.00 -0.67 0.03 0.00 1.31 0.00 0.00 55.95 56.62 1orm s SER 3 Cb 0.00 -0.63 0.08 0.00 0.21 0.00 0.00 66.02 65.67 1orm s SER 3 CO 0.00 -0.26 -0.04 0.42 0.41 0.00 0.00 173.24 173.76 1orm s THR 4 N 1.83 2.11 -0.32 1.44 -4.23 -1.26 -4.09 115.64 111.12 1orm s THR 4 Ca 0.00 -1.84 -0.11 0.00 -1.18 0.00 0.00 61.69 58.56 1orm s THR 4 Cb -0.16 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.31 1orm s THR 4 CO -0.07 -0.25 0.19 -0.69 -0.54 0.00 0.00 174.62 173.26 1orm s VAL 5 N 1.07 4.96 -0.13 2.29 1.01 -1.26 -4.74 120.40 123.60 1orm s VAL 5 Ca -0.01 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1orm s VAL 5 Cb -0.19 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1orm s VAL 5 CO -0.07 0.05 -0.21 0.42 0.00 0.00 0.00 175.10 175.29 1orm s THR 6 N 1.67 1.94 -0.18 3.92 -4.23 -1.26 -4.48 115.64 113.02 1orm s THR 6 Ca 0.05 -0.91 -0.04 0.00 -1.18 0.00 0.00 61.69 59.61 1orm s THR 6 Cb -0.17 -1.72 0.06 0.00 1.34 0.00 0.00 72.50 72.01 1orm s THR 6 CO 0.08 0.53 0.08 -0.83 -0.54 0.00 0.00 174.62 173.94 1orm s GLY 7 N 0.80 0.45 0.00 3.99 0.00 -1.26 -4.77 107.32 106.53 1orm s GLY 7 Ca -0.08 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.19 1orm s GLY 7 CO -0.01 1.67 0.00 0.61 0.00 0.00 0.00 173.10 175.37 1orm n GLY 8 N 5.22 2.70 0.00 0.20 0.00 -1.26 -4.50 105.19 107.55 1orm n GLY 8 Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1orm n GLY 8 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1orm n TYR 9 N 0.00 -0.56 -3.26 1.61 4.02 -1.26 -4.34 117.16 113.37 1orm n TYR 9 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.88 1orm n TYR 9 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 1orm n TYR 9 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1orm s ALA 10 N -2.00 -1.78 0.16 -0.72 0.00 -0.83 -4.26 121.76 112.32 1orm s ALA 10 Ca 0.00 1.51 -0.14 0.00 0.00 0.00 0.00 51.96 53.33 1orm s ALA 10 Cb 0.00 -1.94 0.02 0.00 0.00 0.00 0.00 23.12 21.19 1orm s ALA 10 CO 0.00 -1.27 0.40 1.14 0.00 0.00 0.00 175.76 176.02 1orm s GLN 11 N 2.74 1.19 -0.00 0.00 -2.07 -1.26 -1.81 119.66 118.43 1orm s GLN 11 Ca 0.16 -0.91 0.06 0.00 -1.82 0.00 0.00 55.36 52.85 1orm s GLN 11 Cb -0.15 0.45 -0.03 0.00 -1.09 0.00 0.00 33.01 32.19 1orm s GLN 11 CO -0.19 -0.47 -0.18 -1.12 -1.32 0.00 0.00 175.29 172.01 1orm s SER 12 N -2.88 3.74 -0.16 12.60 0.01 -1.26 -3.69 113.70 122.05 1orm s SER 12 Ca 0.09 -0.35 -0.04 0.00 1.31 0.00 0.00 55.95 56.96 1orm s SER 12 Cb 0.01 -0.64 0.07 0.00 0.21 0.00 0.00 66.02 65.67 1orm s SER 12 CO -0.05 0.30 0.16 -0.62 0.41 0.00 0.00 173.24 173.44 1orm s ASP 13 N -1.02 1.51 -0.05 2.44 2.15 -1.26 -4.89 116.67 115.55 1orm s ASP 13 Ca 0.13 -0.20 -0.29 0.00 0.43 0.00 0.00 52.55 52.62 1orm s ASP 13 Cb -0.10 0.16 0.09 0.00 -0.30 0.00 0.00 42.92 42.77 1orm s ASP 13 CO 0.02 -0.31 1.28 0.00 -0.17 0.00 0.00 175.17 175.99 1orm n ALA 14 N 5.31 -3.65 -0.79 3.66 0.00 -1.26 -4.60 120.51 119.17 1orm n ALA 14 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1orm n ALA 14 Cb 0.49 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1orm n ALA 14 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1orm n GLN 15 N -0.93 0.00 0.00 0.00 -0.06 -1.07 -3.53 117.38 111.79 1orm n GLN 15 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 1orm n GLN 15 Cb 0.56 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.74 1orm n GLN 15 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1orm n GLY 16 N 0.00 -1.82 1.67 1.69 0.00 -1.26 -5.01 105.19 100.47 1orm n GLY 16 Ca 0.00 0.76 -0.02 0.00 0.00 0.00 0.00 46.02 46.77 1orm n GLY 16 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1orm n GLN 17 N 0.00 -0.30 -2.59 1.61 7.27 -1.23 -4.97 117.38 117.17 1orm n GLN 17 Ca 0.00 0.10 -0.41 0.00 0.07 0.00 0.00 57.00 56.76 1orm n GLN 17 Cb 0.00 -2.07 0.02 0.00 2.41 0.00 0.00 30.24 30.60 1orm n GLN 17 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 1orm n MET 18 N -1.68 5.37 -1.94 3.69 1.56 -1.26 -4.92 117.12 117.94 1orm n MET 18 Ca -0.01 -4.56 0.00 0.00 -0.27 0.00 0.00 57.70 52.86 1orm n MET 18 Cb 0.51 -2.49 0.00 0.00 2.15 0.00 0.00 33.22 33.40 1orm n MET 18 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1orm n ASN 19 N 0.12 -8.87 -3.59 6.12 3.02 -1.26 -5.07 115.26 105.73 1orm n ASN 19 Ca 0.48 1.32 -0.06 0.00 -0.03 0.00 0.00 54.58 56.29 1orm n ASN 19 Cb 0.26 -4.89 -0.03 0.00 -0.61 0.00 0.00 39.78 34.50 1orm n ASN 19 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1orm s LYS 20 N -1.22 0.38 0.21 3.52 0.00 -1.26 -4.91 119.74 116.46 1orm s LYS 20 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 55.97 55.94 1orm s LYS 20 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 37.83 38.01 1orm s LYS 20 CO 0.00 -0.14 0.00 -0.12 0.00 0.00 0.00 175.35 175.09 1orm n MET 21 N 0.28 0.00 -1.59 1.78 1.56 -1.26 -4.83 117.12 113.05 1orm n MET 21 Ca -0.04 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.39 1orm n MET 21 Cb 0.59 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.96 1orm n MET 21 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1orm n GLY 22 N 0.05 -0.13 0.00 -5.12 0.00 -1.26 -4.99 105.19 93.74 1orm n GLY 22 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1orm n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1orm n GLY 23 N -0.48 -0.66 3.49 -0.02 0.00 -0.75 -4.05 105.19 102.73 1orm n GLY 23 Ca 0.00 -1.12 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 1orm n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1orm s PHE 24 N -3.00 2.31 -0.05 1.61 0.40 -1.26 -1.97 117.98 116.02 1orm s PHE 24 Ca 0.00 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 55.94 1orm s PHE 24 Cb 0.00 -1.12 0.02 0.00 0.51 0.00 0.00 43.02 42.43 1orm s PHE 24 CO 0.00 0.66 -0.06 0.54 0.70 0.00 0.00 175.22 177.06 1orm s ASN 25 N -3.54 1.09 0.28 1.36 4.22 -1.26 -4.67 114.94 112.43 1orm s ASN 25 Ca 0.31 -0.16 0.10 0.00 -2.14 0.00 0.00 52.86 50.97 1orm s ASN 25 Cb -0.02 -0.51 -0.05 0.00 1.28 0.00 0.00 41.25 41.94 1orm s ASN 25 CO 0.15 -0.03 -0.15 -0.76 -2.04 0.00 0.00 177.10 174.27 1orm s LEU 26 N 0.80 2.61 -0.05 3.54 1.43 -1.26 -4.62 118.68 121.13 1orm s LEU 26 Ca -0.12 -1.08 -0.15 0.00 -1.03 0.00 0.00 54.13 51.75 1orm s LEU 26 Cb -0.14 -0.97 0.03 0.00 0.03 0.00 0.00 46.19 45.13 1orm s LEU 26 CO 0.01 -0.08 0.34 -0.54 0.23 0.00 0.00 176.35 176.31 1orm s LYS 27 N -3.57 0.62 -0.03 1.70 1.02 -1.26 -4.70 119.74 113.52 1orm s LYS 27 Ca 0.29 0.02 0.06 0.00 0.02 0.00 0.00 55.97 56.36 1orm s LYS 27 Cb -0.02 0.28 -0.01 0.00 -0.52 0.00 0.00 37.83 37.56 1orm s LYS 27 CO 0.14 -0.15 -0.21 0.71 -0.92 0.00 0.00 175.35 174.91 1orm s TYR 28 N -0.91 1.96 0.45 3.18 2.02 -1.26 -4.88 117.35 117.91 1orm s TYR 28 Ca -0.10 -0.43 -0.12 0.00 -0.37 0.00 0.00 57.07 56.06 1orm s TYR 28 Cb -0.04 -1.27 -0.06 0.00 -0.40 0.00 0.00 41.96 40.18 1orm s TYR 28 CO 0.03 -0.07 0.84 -0.98 -1.57 0.00 0.00 175.55 173.80 1orm s ARG 29 N -0.38 3.79 -0.24 -0.62 3.03 -1.26 -4.69 118.95 118.57 1orm s ARG 29 Ca 0.05 0.58 0.01 0.00 2.03 0.00 0.00 55.73 58.40 1orm s ARG 29 Cb -0.09 -2.31 0.03 0.00 -1.03 0.00 0.00 34.95 31.55 1orm s ARG 29 CO 0.00 -0.15 0.91 0.98 -1.13 0.00 0.00 175.30 175.92 1orm n TYR 30 N -1.56 -0.15 -3.90 5.89 9.36 -1.26 -5.00 117.16 120.54 1orm n TYR 30 Ca 0.03 -0.48 -0.09 0.00 3.32 0.00 0.00 57.90 60.68 1orm n TYR 30 Cb 0.54 1.01 -0.05 0.00 -0.63 0.00 0.00 39.34 40.21 1orm n TYR 30 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 1orm s GLU 31 N 0.01 1.37 0.33 2.98 -1.05 -1.26 -4.41 118.70 116.67 1orm s GLU 31 Ca 0.01 -1.09 -0.05 0.00 -0.15 0.00 0.00 54.97 53.70 1orm s GLU 31 Cb 0.03 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.18 1orm s GLU 31 CO -0.01 -0.56 0.49 -2.00 0.95 0.00 0.00 175.26 174.14 1orm s GLU 32 N -3.95 1.88 0.00 -4.83 2.12 -1.22 -3.19 118.70 109.51 1orm s GLU 32 Ca 0.16 -1.68 0.17 0.00 0.36 0.00 0.00 54.97 53.98 1orm s GLU 32 Cb 0.00 0.46 0.86 0.00 0.26 0.00 0.00 34.13 35.71 1orm s GLU 32 CO 0.02 -0.78 1.57 -0.25 -0.54 0.00 0.00 175.26 175.28 1orm n ASP 33 N -1.27 0.54 -0.00 -1.70 8.00 -1.26 -2.68 116.55 118.18 1orm n ASP 33 Ca -0.00 -1.59 0.08 0.00 0.71 0.00 0.00 54.79 53.99 1orm n ASP 33 Cb 0.62 -0.04 -0.10 0.00 -0.02 0.00 0.00 41.12 41.58 1orm n ASP 33 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1orm n ASN 34 N -0.40 0.86 -3.19 -2.24 5.15 -1.26 -4.84 115.26 109.35 1orm n ASN 34 Ca 0.13 -0.68 0.01 0.00 -0.60 0.00 0.00 54.58 53.44 1orm n ASN 34 Cb 0.14 1.17 -0.01 0.00 -0.53 0.00 0.00 39.78 40.55 1orm n ASN 34 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1orm s SER 35 N -2.83 -1.27 -1.24 1.20 0.01 -1.09 -5.07 113.70 103.40 1orm s SER 35 Ca 0.03 -0.10 -0.20 0.00 1.31 0.00 0.00 55.95 56.99 1orm s SER 35 Cb 0.12 1.86 -0.01 0.00 0.21 0.00 0.00 66.02 68.20 1orm s SER 35 CO 0.66 -0.28 1.84 -0.81 0.41 0.00 0.00 173.24 175.06 1orm n PRO 36 N 5.21 2.41 -3.02 12.44 -0.04 -1.25 -3.43 135.00 147.33 1orm n PRO 36 Ca 0.06 -2.87 -0.01 0.00 -0.04 0.00 0.00 63.50 60.64 1orm n PRO 36 Cb 0.54 -3.60 -0.00 0.00 -0.04 0.00 0.00 33.50 30.39 1orm n PRO 36 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1orm s LEU 37 N 7.43 -1.43 0.36 1.53 2.96 -1.26 -4.81 118.68 123.47 1orm s LEU 37 Ca 0.61 -1.09 0.07 0.00 -0.22 0.00 0.00 54.13 53.50 1orm s LEU 37 Cb 0.02 1.84 -0.02 0.00 0.50 0.00 0.00 46.19 48.53 1orm s LEU 37 CO 0.11 -0.12 0.34 -0.83 -1.32 0.00 0.00 176.35 174.53 1orm s GLY 38 N 1.48 1.89 -0.09 7.98 0.00 -1.26 -4.69 107.32 112.62 1orm s GLY 38 Ca 0.21 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 43.22 1orm s GLY 38 CO -0.07 -1.60 -0.07 0.14 0.00 0.00 0.00 173.10 171.50 1orm s VAL 39 N -2.35 0.89 -1.00 1.40 1.01 -1.26 -4.52 120.40 114.57 1orm s VAL 39 Ca 0.44 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 1orm s VAL 39 Cb -0.05 -0.91 0.31 0.00 0.00 0.00 0.00 36.38 35.72 1orm s VAL 39 CO 0.27 0.33 1.48 2.30 0.00 0.00 0.00 175.10 179.49 1orm n ILE 40 N 4.67 5.17 -3.39 2.22 -5.35 -1.26 -4.75 119.36 116.67 1orm n ILE 40 Ca -0.15 -5.87 -0.40 0.00 -0.27 0.00 0.00 62.75 56.06 1orm n ILE 40 Cb 0.50 -1.89 -0.09 0.00 -1.74 0.00 0.00 39.64 36.42 1orm n ILE 40 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1orm s GLY 41 N -1.83 1.89 0.19 3.28 0.00 -1.26 -4.59 107.32 104.99 1orm s GLY 41 Ca 0.35 -1.05 -0.04 0.00 0.00 0.00 0.00 44.72 43.98 1orm s GLY 41 CO 0.02 1.00 0.21 -0.56 0.00 0.00 0.00 173.10 173.77 1orm s SER 42 N 1.71 0.12 -0.04 1.64 0.01 -1.26 -4.64 113.70 111.23 1orm s SER 42 Ca 0.13 -1.20 0.06 0.00 1.31 0.00 0.00 55.95 56.25 1orm s SER 42 Cb -0.16 0.41 -0.01 0.00 0.21 0.00 0.00 66.02 66.47 1orm s SER 42 CO 0.11 -0.89 -0.22 0.72 0.41 0.00 0.00 173.24 173.38 1orm s PHE 43 N -4.09 2.08 0.26 2.43 -0.12 -1.26 -4.59 117.98 112.69 1orm s PHE 43 Ca 0.30 -0.57 0.07 0.00 -0.05 0.00 0.00 56.93 56.68 1orm s PHE 43 Cb 0.05 -1.37 -0.05 0.00 -0.63 0.00 0.00 43.02 41.02 1orm s PHE 43 CO 0.08 -0.16 -0.07 0.99 -0.05 0.00 0.00 175.22 176.00 1orm s THR 44 N -0.16 1.62 -0.03 -4.49 2.01 -1.14 -4.74 115.64 108.71 1orm s THR 44 Ca -0.01 -2.14 -0.01 0.00 0.31 0.00 0.00 61.69 59.84 1orm s THR 44 Cb -0.12 -2.35 0.02 0.00 0.01 0.00 0.00 72.50 70.07 1orm s THR 44 CO 0.02 -0.37 0.06 -0.72 -0.69 0.00 0.00 174.62 172.92 1orm s TYR 45 N -3.04 -0.04 0.21 4.92 -0.85 -1.26 -2.47 117.35 114.82 1orm s TYR 45 Ca 0.28 0.21 0.05 0.00 -0.52 0.00 0.00 57.07 57.09 1orm s TYR 45 Cb 0.03 -0.13 -0.03 0.00 0.38 0.00 0.00 41.96 42.21 1orm s TYR 45 CO 0.10 -0.09 0.27 0.99 -1.52 0.00 0.00 175.55 175.31 1orm s THR 46 N 0.80 4.95 -0.50 -3.49 2.01 -1.26 -4.58 115.64 113.58 1orm s THR 46 Ca -0.06 -1.05 0.03 0.00 0.31 0.00 0.00 61.69 60.92 1orm s THR 46 Cb -0.09 -3.64 0.42 0.00 0.01 0.00 0.00 72.50 69.21 1orm s THR 46 CO -0.03 -0.26 1.43 -0.62 -0.69 0.00 0.00 174.62 174.46 1orm n GLU 47 N -1.03 3.26 -4.30 4.92 -0.58 -1.26 -4.97 120.64 116.69 1orm n GLU 47 Ca -0.08 -4.05 -0.17 0.00 -0.42 0.00 0.00 57.16 52.43 1orm n GLU 47 Cb 0.56 -2.27 -0.10 0.00 -0.57 0.00 0.00 31.44 29.06 1orm n GLU 47 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1orm s LYS 48 N -3.70 1.20 2.39 3.49 2.47 -1.26 -4.72 119.74 119.62 1orm s LYS 48 Ca 0.52 -1.49 0.00 0.00 -1.56 0.00 0.00 55.97 53.44 1orm s LYS 48 Cb 0.43 -0.95 0.00 0.00 -1.46 0.00 0.00 37.83 35.85 1orm s LYS 48 CO -0.13 0.15 0.00 0.45 0.16 0.00 0.00 175.35 175.98 1orm n SER 49 N -0.16 -0.34 -3.14 1.43 2.88 -1.26 -5.01 113.62 108.01 1orm n SER 49 Ca -0.10 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.39 1orm n SER 49 Cb 0.60 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.06 1orm n SER 49 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1orm n ARG 50 N 0.00 -1.08 -2.56 -1.46 0.63 -1.26 -4.35 116.66 106.57 1orm n ARG 50 Ca 0.00 1.23 -0.03 0.00 -0.92 0.00 0.00 57.85 58.14 1orm n ARG 50 Cb 0.00 -2.00 0.00 0.00 0.45 0.00 0.00 32.46 30.91 1orm n ARG 50 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1orm n THR 51 N 0.96-10.05 0.00 5.15 -1.04 0.08 -4.89 114.28 104.50 1orm n THR 51 Ca -0.01 1.20 0.00 0.00 -2.04 0.00 0.00 64.05 63.20 1orm n THR 51 Cb 0.44 -6.59 0.00 0.00 -1.82 0.00 0.00 70.33 62.36 1orm n THR 51 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1orm n ALA 52 N 0.19 0.00 -0.68 2.41 0.00 -1.26 -4.99 120.51 116.18 1orm n ALA 52 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1orm n ALA 52 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1orm n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1orm n SER 53 N -1.84 0.00 -1.04 0.00 2.88 -1.26 -4.97 113.62 107.39 1orm n SER 53 Ca 0.00 0.08 -0.04 0.00 -1.33 0.00 0.00 58.87 57.57 1orm n SER 53 Cb 0.00 -0.16 -0.03 0.00 -0.75 0.00 0.00 64.21 63.27 1orm n SER 53 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1orm n SER 54 N -1.42 -0.75 -0.02 -3.46 2.88 -1.26 -4.95 113.62 104.64 1orm n SER 54 Ca 0.00 -1.47 -0.03 0.00 -1.33 0.00 0.00 58.87 56.04 1orm n SER 54 Cb 0.00 0.25 -0.12 0.00 -0.75 0.00 0.00 64.21 63.58 1orm n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1orm n GLY 55 N -0.14 -1.08 5.26 0.46 0.00 -1.26 -4.92 105.19 103.51 1orm n GLY 55 Ca -0.19 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1orm n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1orm n ASP 56 N -2.79 0.00 -3.47 1.61 9.92 -1.26 -4.12 116.55 116.44 1orm n ASP 56 Ca -0.17 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 53.95 1orm n ASP 56 Cb 0.93 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 41.29 1orm n ASP 56 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1orm s TYR 57 N 0.00 -0.47 -0.30 1.24 2.02 -1.26 -0.74 117.35 117.84 1orm s TYR 57 Ca 0.00 0.52 -0.14 0.00 -0.37 0.00 0.00 57.07 57.07 1orm s TYR 57 Cb 0.00 -0.20 0.18 0.00 -0.40 0.00 0.00 41.96 41.54 1orm s TYR 57 CO 0.00 -0.61 1.11 0.54 -1.57 0.00 0.00 175.55 175.02 1orm s ASN 58 N 2.41 -0.33 0.00 2.29 4.22 -1.26 -2.16 114.94 120.11 1orm s ASN 58 Ca 0.08 0.18 0.00 0.00 -2.14 0.00 0.00 52.86 50.98 1orm s ASN 58 Cb -0.15 1.27 0.00 0.00 1.28 0.00 0.00 41.25 43.64 1orm s ASN 58 CO -0.13 -0.06 0.00 2.29 -2.04 0.00 0.00 177.10 177.16 1orm n LYS 59 N 5.43 0.00 0.00 3.55 2.85 -1.22 -4.50 118.16 124.27 1orm n LYS 59 Ca -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1orm n LYS 59 Cb 0.55 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.93 1orm n LYS 59 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1orm n ASN 60 N 0.00 0.00 -3.63 -5.58 2.85 -1.26 -4.41 115.26 103.22 1orm n ASN 60 Ca 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.36 1orm n ASN 60 Cb 0.00 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 40.95 1orm n ASN 60 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1orm s GLN 61 N 0.00 0.62 -0.35 1.20 -2.07 -1.26 -5.05 119.66 112.74 1orm s GLN 61 Ca 0.00 0.71 -0.29 0.00 -1.82 0.00 0.00 55.36 53.96 1orm s GLN 61 Cb 0.00 0.30 0.02 0.00 -1.09 0.00 0.00 33.01 32.24 1orm s GLN 61 CO 0.00 -0.08 1.07 -0.47 -1.32 0.00 0.00 175.29 174.49 1orm s TYR 62 N 0.22 3.09 0.02 9.60 5.04 -1.03 -5.02 117.35 129.27 1orm s TYR 62 Ca 0.02 1.08 0.03 0.00 -2.44 0.00 0.00 57.07 55.76 1orm s TYR 62 Cb -0.05 -3.80 -0.04 0.00 0.35 0.00 0.00 41.96 38.42 1orm s TYR 62 CO -0.04 -0.85 -0.03 -0.47 -1.34 0.00 0.00 175.55 172.82 1orm s TYR 63 N 3.76 2.96 -0.39 4.97 5.04 -1.26 -2.91 117.35 129.52 1orm s TYR 63 Ca 0.45 -0.00 0.06 0.00 -2.44 0.00 0.00 57.07 55.13 1orm s TYR 63 Cb -0.11 -1.61 0.17 0.00 0.35 0.00 0.00 41.96 40.76 1orm s TYR 63 CO 0.18 0.42 0.52 0.20 -1.34 0.00 0.00 175.55 175.53 1orm s GLY 64 N -1.66 -0.71 -0.48 8.97 0.00 -1.26 -4.25 107.32 107.92 1orm s GLY 64 Ca 0.20 -0.30 -0.27 0.00 0.00 0.00 0.00 44.72 44.35 1orm s GLY 64 CO 0.11 3.25 1.01 -0.26 0.00 0.00 0.00 173.10 177.21 1orm s ILE 65 N 1.68 4.35 -0.02 0.90 -4.36 -1.26 -4.70 121.20 117.79 1orm s ILE 65 Ca 0.16 0.84 0.05 0.00 -0.26 0.00 0.00 60.65 61.44 1orm s ILE 65 Cb -0.09 -4.52 -0.01 0.00 1.25 0.00 0.00 42.46 39.09 1orm s ILE 65 CO -0.06 -0.95 -0.16 0.28 0.24 0.00 0.00 174.94 174.29 1orm s THR 66 N 4.07 1.29 -0.29 8.37 -1.32 -1.26 -3.51 115.64 122.99 1orm s THR 66 Ca 0.40 -0.68 0.01 0.00 -1.21 0.00 0.00 61.69 60.21 1orm s THR 66 Cb -0.09 -1.09 0.09 0.00 -1.51 0.00 0.00 72.50 69.90 1orm s THR 66 CO 0.27 0.37 0.04 0.00 -2.21 0.00 0.00 174.62 173.09 1orm s ALA 67 N -0.24 1.99 -0.20 11.08 0.00 -1.18 -4.29 121.76 128.93 1orm s ALA 67 Ca 0.03 -1.77 -0.04 0.00 0.00 0.00 0.00 51.96 50.18 1orm s ALA 67 Cb -0.08 -1.64 0.07 0.00 0.00 0.00 0.00 23.12 21.47 1orm s ALA 67 CO 0.00 -1.52 0.08 0.20 0.00 0.00 0.00 175.76 174.53 1orm s GLY 68 N 1.38 0.47 0.00 0.00 0.00 -1.26 -4.56 107.32 103.34 1orm s GLY 68 Ca 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.23 1orm s GLY 68 CO -0.14 1.70 0.00 -1.55 0.00 0.00 0.00 173.10 173.11 1orm n PRO 69 N 5.21 -0.44 -3.68 2.90 -0.04 -1.26 -4.78 135.00 132.90 1orm n PRO 69 Ca -0.07 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.13 1orm n PRO 69 Cb 0.47 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.77 1orm n PRO 69 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1orm s ALA 70 N -3.50 0.69 0.14 0.55 0.00 -1.26 -4.90 121.76 113.47 1orm s ALA 70 Ca 0.00 -0.42 0.06 0.00 0.00 0.00 0.00 51.96 51.60 1orm s ALA 70 Cb 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1orm s ALA 70 CO 0.00 -1.06 0.03 -0.47 0.00 0.00 0.00 175.76 174.26 1orm s TYR 71 N 2.00 2.98 -0.47 0.00 5.04 -1.26 -4.88 117.35 120.76 1orm s TYR 71 Ca 0.01 -0.06 0.05 0.00 -2.44 0.00 0.00 57.07 54.63 1orm s TYR 71 Cb -0.16 -1.47 0.24 0.00 0.35 0.00 0.00 41.96 40.92 1orm s TYR 71 CO -0.08 0.50 0.93 -2.13 -1.34 0.00 0.00 175.55 173.43 1orm n ARG 72 N 0.09 0.69 -0.07 4.97 0.00 -1.26 -4.39 116.66 116.68 1orm n ARG 72 Ca -0.10 -1.61 -0.12 0.00 -0.00 0.00 0.00 57.85 56.02 1orm n ARG 72 Cb 0.54 -1.31 -0.06 0.00 0.00 0.00 0.00 32.46 31.63 1orm n ARG 72 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 1orm n ILE 73 N 1.69 0.79 0.00 5.15 0.00 -1.26 -4.98 119.36 120.74 1orm n ILE 73 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 62.75 62.58 1orm n ILE 73 Cb 0.64 -1.32 0.00 0.00 0.00 0.00 0.00 39.64 38.96 1orm n ILE 73 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1orm n ASN 74 N -3.25 0.00 0.00 9.51 4.13 -1.26 -5.09 115.26 119.30 1orm n ASN 74 Ca -0.26 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.00 1orm n ASN 74 Cb 0.73 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.97 1orm n ASN 74 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1orm n ASP 75 N 0.00 0.00 -2.68 6.41 3.85 -1.26 -5.04 116.55 117.83 1orm n ASP 75 Ca 0.00 0.00 -0.05 0.00 -0.71 0.00 0.00 54.79 54.03 1orm n ASP 75 Cb 0.00 0.00 0.07 0.00 -1.35 0.00 0.00 41.12 39.84 1orm n ASP 75 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.20 178.06 1orm n TRP 76 N -1.81 -1.13 0.00 2.11 -0.00 -1.26 -5.01 117.44 110.34 1orm n TRP 76 Ca 0.00 -1.14 0.00 0.00 -0.00 0.00 0.00 57.50 56.36 1orm n TRP 76 Cb 0.00 1.32 0.00 0.00 -0.00 0.00 0.00 31.31 32.63 1orm n TRP 76 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1orm n ALA 77 N 0.01 0.00 -3.17 5.87 0.00 -1.26 -4.56 120.51 117.39 1orm n ALA 77 Ca -0.10 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.39 1orm n ALA 77 Cb 0.73 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.16 1orm n ALA 77 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1orm s SER 78 N 0.00 -0.36 0.00 0.00 1.04 -1.26 -4.65 113.70 108.47 1orm s SER 78 Ca 0.00 0.26 -0.13 0.00 0.48 0.00 0.00 55.95 56.56 1orm s SER 78 Cb 0.00 1.31 0.02 0.00 0.10 0.00 0.00 66.02 67.45 1orm s SER 78 CO 0.00 -0.07 0.28 -0.51 0.98 0.00 0.00 173.24 173.92 1orm s ILE 79 N 2.85 0.07 -0.30 -1.02 2.07 -1.26 -4.17 121.20 119.44 1orm s ILE 79 Ca -0.03 -0.58 -0.20 0.00 -1.41 0.00 0.00 60.65 58.43 1orm s ILE 79 Cb -0.09 -0.69 0.20 0.00 0.13 0.00 0.00 42.46 42.01 1orm s ILE 79 CO -0.11 -0.32 1.32 -0.47 -1.91 0.00 0.00 174.94 173.45 1orm s TYR 80 N -1.71 -0.09 0.68 3.50 6.14 -1.26 -4.68 117.35 119.92 1orm s TYR 80 Ca -0.11 0.20 -0.12 0.00 0.64 0.00 0.00 57.07 57.68 1orm s TYR 80 Cb -0.04 0.24 0.00 0.00 0.42 0.00 0.00 41.96 42.58 1orm s TYR 80 CO 0.02 -0.05 1.07 0.20 0.64 0.00 0.00 175.55 177.43 1orm s GLY 81 N 0.63 1.83 0.55 8.97 0.00 -1.26 -4.23 107.32 113.81 1orm s GLY 81 Ca -0.02 0.24 0.09 0.00 0.00 0.00 0.00 44.72 45.03 1orm s GLY 81 CO -0.12 0.56 0.68 -1.34 0.00 0.00 0.00 173.10 172.88 1orm s VAL 82 N -2.80 2.11 -0.30 1.40 -7.23 -1.26 -4.82 120.40 107.50 1orm s VAL 82 Ca 0.61 -1.11 -0.17 0.00 -1.81 0.00 0.00 61.98 59.49 1orm s VAL 82 Cb -0.16 -2.23 0.18 0.00 0.56 0.00 0.00 36.38 34.74 1orm s VAL 82 CO 0.49 0.00 1.14 0.54 -0.31 0.00 0.00 175.10 176.96 1orm s VAL 83 N -2.66 -0.22 0.13 1.32 0.11 -1.26 -4.61 120.40 113.20 1orm s VAL 83 Ca 0.55 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.59 1orm s VAL 83 Cb -0.05 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1orm s VAL 83 CO 0.34 0.00 0.18 0.61 -3.33 0.00 0.00 175.10 172.90 1orm n GLY 84 N 4.50 2.76 2.55 6.54 0.00 -1.26 -3.10 105.19 117.18 1orm n GLY 84 Ca -0.10 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 1orm n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1orm s VAL 85 N -2.57 0.35 0.93 1.61 0.11 -1.23 -4.66 120.40 114.93 1orm s VAL 85 Ca 0.11 -1.54 -0.13 0.00 -2.93 0.00 0.00 61.98 57.49 1orm s VAL 85 Cb -0.00 -1.27 0.04 0.00 -1.53 0.00 0.00 36.38 33.62 1orm s VAL 85 CO 0.08 -0.87 0.52 0.61 -3.33 0.00 0.00 175.10 172.10 1orm n GLY 86 N 4.38 -1.74 2.70 6.54 0.00 -0.96 -4.60 105.19 111.51 1orm n GLY 86 Ca 0.05 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 1orm n GLY 86 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1orm n TYR 87 N -3.57 -3.18 -0.97 1.61 9.36 -1.26 -3.60 117.16 115.55 1orm n TYR 87 Ca 0.08 -1.84 -0.21 0.00 3.32 0.00 0.00 57.90 59.25 1orm n TYR 87 Cb 0.53 1.38 0.05 0.00 -0.63 0.00 0.00 39.34 40.67 1orm n TYR 87 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1orm n GLY 88 N 1.92 4.48 2.79 2.98 0.00 -1.26 -4.60 105.19 111.48 1orm n GLY 88 Ca 0.12 -1.35 -0.23 0.00 0.00 0.00 0.00 46.02 44.57 1orm n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1orm s LYS 89 N -2.27 0.64 0.34 1.61 -0.14 -1.26 -4.88 119.74 113.79 1orm s LYS 89 Ca 0.38 0.08 -0.15 0.00 -1.36 0.00 0.00 55.97 54.93 1orm s LYS 89 Cb 0.30 -0.97 0.03 0.00 -1.68 0.00 0.00 37.83 35.52 1orm s LYS 89 CO -0.00 -0.28 0.70 -0.06 -0.76 0.00 0.00 175.35 174.94 1orm s PHE 90 N 1.85 0.22 0.01 3.18 0.08 -1.26 -4.74 117.98 117.32 1orm s PHE 90 Ca 0.03 -0.75 0.00 0.00 0.12 0.00 0.00 56.93 56.33 1orm s PHE 90 Cb -0.12 0.61 0.00 0.00 -0.57 0.00 0.00 43.02 42.94 1orm s PHE 90 CO -0.05 -1.38 0.00 1.04 -0.10 0.00 0.00 175.22 174.73 1orm n GLN 91 N -0.51 -0.10 0.00 0.44 1.13 -1.26 -3.46 117.38 113.62 1orm n GLN 91 Ca -0.05 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 1orm n GLN 91 Cb 0.60 -0.12 0.00 0.00 0.11 0.00 0.00 30.24 30.83 1orm n GLN 91 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1orm n THR 92 N -0.69 0.00 0.00 5.09 -2.24 -1.20 -1.83 114.28 113.41 1orm n THR 92 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1orm n THR 92 Cb 0.02 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 1orm n THR 92 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1orm n THR 93 N 0.00 0.00 0.00 4.28 5.66 -0.92 -3.61 114.28 119.69 1orm n THR 93 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1orm n THR 93 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1orm n THR 93 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1orm n GLU 94 N 0.00 0.00 -4.56 1.09 4.71 -1.26 -4.29 120.64 116.32 1orm n GLU 94 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.16 56.89 1orm n GLU 94 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 31.44 30.32 1orm n GLU 94 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1orm s TYR 95 N -0.77 2.26 -0.90 -0.32 2.02 -1.26 -4.52 117.35 113.87 1orm s TYR 95 Ca 0.00 -0.81 -0.07 0.00 -0.37 0.00 0.00 57.07 55.83 1orm s TYR 95 Cb 0.00 -1.57 -0.10 0.00 -0.40 0.00 0.00 41.96 39.88 1orm s TYR 95 CO 0.00 0.26 2.58 -0.35 -1.57 0.00 0.00 175.55 176.46 1orm n PRO 96 N -0.88 2.44 0.05 -1.71 -0.04 -1.26 -3.40 135.00 130.19 1orm n PRO 96 Ca -0.05 -1.50 0.00 0.00 -0.04 0.00 0.00 63.50 61.91 1orm n PRO 96 Cb 0.67 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 1orm n PRO 96 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1orm n THR 97 N 3.59 0.04 -3.31 0.52 -1.04 -1.26 -4.97 114.28 107.85 1orm n THR 97 Ca 0.52 0.01 -0.45 0.00 -2.04 0.00 0.00 64.05 62.09 1orm n THR 97 Cb 0.31 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 1orm n THR 97 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1orm n TYR 98 N -2.86 5.27 -0.69 -1.42 4.19 -1.22 -5.04 117.16 115.39 1orm n TYR 98 Ca 0.00 -3.88 -0.29 0.00 3.31 0.00 0.00 57.90 57.04 1orm n TYR 98 Cb 0.04 -1.75 0.14 0.00 0.49 0.00 0.00 39.34 38.26 1orm n TYR 98 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 1orm n LYS 99 N 2.89 -1.49 -0.33 2.98 4.81 -1.26 -4.09 118.16 121.66 1orm n LYS 99 Ca 0.25 -0.43 -0.10 0.00 -0.87 0.00 0.00 58.31 57.17 1orm n LYS 99 Cb 0.39 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 33.86 1orm n LYS 99 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 1orm h ASN 100 N -2.05 -1.82 0.00 3.14 7.08 -1.42 -3.43 115.58 117.08 1orm h ASN 100 Ca -0.42 0.27 0.00 0.00 -3.08 0.00 0.00 56.30 53.07 1orm h ASN 100 Cb 1.18 0.80 0.00 0.00 -2.08 0.00 0.00 38.32 38.22 1orm h ASN 100 CO 0.28 -0.21 0.00 -0.67 -2.08 0.00 0.00 177.43 174.75 1orm n ASP 101 N -4.92 0.00 -4.84 6.14 2.03 -1.26 -4.70 116.55 109.00 1orm n ASP 101 Ca 0.01 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.06 1orm n ASP 101 Cb 0.23 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.58 1orm n ASP 101 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1orm s THR 102 N 0.00 4.70 0.21 5.18 -1.32 -1.26 -5.13 115.64 118.02 1orm s THR 102 Ca 0.00 -0.99 0.01 0.00 -1.21 0.00 0.00 61.69 59.50 1orm s THR 102 Cb 0.00 -3.41 0.01 0.00 -1.51 0.00 0.00 72.50 67.59 1orm s THR 102 CO 0.00 -0.11 0.09 -1.20 -2.21 0.00 0.00 174.62 171.18 1orm n SER 103 N -0.43 2.09 -2.82 8.08 7.64 -1.26 -4.88 113.62 122.03 1orm n SER 103 Ca -0.08 -1.81 -0.14 0.00 1.01 0.00 0.00 58.87 57.85 1orm n SER 103 Cb 0.55 0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.76 1orm n SER 103 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1orm n ASP 104 N -1.56 -0.96 -3.82 6.43 2.03 -1.26 -5.04 116.55 112.37 1orm n ASP 104 Ca -0.04 -2.76 -0.08 0.00 0.52 0.00 0.00 54.79 52.43 1orm n ASP 104 Cb 0.25 1.92 -0.03 0.00 -0.72 0.00 0.00 41.12 42.54 1orm n ASP 104 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1orm s TYR 105 N -3.17 0.01 0.00 -0.67 -0.85 -1.26 -4.51 117.35 106.90 1orm s TYR 105 Ca 0.29 -0.46 0.00 0.00 -0.52 0.00 0.00 57.07 56.39 1orm s TYR 105 Cb 0.00 0.56 0.00 0.00 0.38 0.00 0.00 41.96 42.90 1orm s TYR 105 CO 0.21 -1.19 0.00 0.41 -1.52 0.00 0.00 175.55 173.45 1orm n GLY 106 N -0.45 1.35 1.14 5.49 0.00 -1.24 -4.89 105.19 106.59 1orm n GLY 106 Ca -0.04 0.50 -0.01 0.00 0.00 0.00 0.00 46.02 46.47 1orm n GLY 106 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1orm n PHE 107 N 0.00 -0.89 -1.50 1.61 7.35 -1.26 -2.26 117.46 120.51 1orm n PHE 107 Ca 0.00 -0.40 0.00 0.00 -0.76 0.00 0.00 57.45 56.29 1orm n PHE 107 Cb 0.00 0.20 0.00 0.00 0.35 0.00 0.00 39.48 40.03 1orm n PHE 107 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1orm n SER 108 N -0.84 0.00 -1.13 -2.13 2.88 -1.26 -3.56 113.62 107.58 1orm n SER 108 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1orm n SER 108 Cb 0.17 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1orm n SER 108 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1orm n TYR 109 N 2.02 0.00 0.00 0.66 4.01 -1.26 -4.28 117.16 118.31 1orm n TYR 109 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1orm n TYR 109 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1orm n TYR 109 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1orm n GLY 110 N 2.56 -0.03 3.59 2.72 0.00 -1.24 -2.16 105.19 110.64 1orm n GLY 110 Ca 0.00 0.56 -0.15 0.00 0.00 0.00 0.00 46.02 46.43 1orm n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1orm s ALA 111 N -1.00 -1.80 -0.38 4.61 0.00 -1.12 -4.87 121.76 117.19 1orm s ALA 111 Ca 0.00 1.75 -0.10 0.00 0.00 0.00 0.00 51.96 53.61 1orm s ALA 111 Cb 0.00 -0.77 0.05 0.00 0.00 0.00 0.00 23.12 22.40 1orm s ALA 111 CO 0.00 -0.34 0.21 0.20 0.00 0.00 0.00 175.76 175.82 1orm s GLY 112 N -0.25 1.93 -1.26 0.00 0.00 -1.26 -4.70 107.32 101.77 1orm s GLY 112 Ca -0.04 -1.86 -0.16 0.00 0.00 0.00 0.00 44.72 42.66 1orm s GLY 112 CO 0.04 0.87 1.61 -0.10 0.00 0.00 0.00 173.10 175.52 1orm n LEU 113 N 4.94 5.07 -4.11 0.66 7.94 -1.26 -4.68 117.00 125.55 1orm n LEU 113 Ca -0.11 -4.16 -0.37 0.00 -1.11 0.00 0.00 56.01 50.26 1orm n LEU 113 Cb 0.45 -1.69 -0.08 0.00 0.53 0.00 0.00 43.42 42.62 1orm n LEU 113 CO 0.36 0.40 0.16 -1.58 -1.11 0.00 0.00 177.39 175.63 1orm s GLN 114 N 3.06 2.87 0.30 1.96 0.74 -1.26 -2.63 119.66 124.69 1orm s GLN 114 Ca 0.49 -2.78 -0.01 0.00 0.05 0.00 0.00 55.36 53.11 1orm s GLN 114 Cb 0.01 -3.85 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 1orm s GLN 114 CO 0.05 -1.21 0.35 0.12 -0.55 0.00 0.00 175.29 174.04 1orm s PHE 115 N -0.49 1.18 -0.32 1.67 5.36 -1.26 -4.25 117.98 119.86 1orm s PHE 115 Ca 0.21 -1.34 -0.09 0.00 -0.96 0.00 0.00 56.93 54.74 1orm s PHE 115 Cb -0.15 -0.32 0.00 0.00 -0.34 0.00 0.00 43.02 42.21 1orm s PHE 115 CO -0.07 -0.94 0.15 0.54 -1.46 0.00 0.00 175.22 173.45 1orm s ASN 116 N -3.23 5.53 -0.02 6.13 2.20 -1.26 -3.97 114.94 120.33 1orm s ASN 116 Ca 0.34 -0.62 -0.03 0.00 -0.94 0.00 0.00 52.86 51.61 1orm s ASN 116 Cb 0.02 -1.99 -0.01 0.00 -2.00 0.00 0.00 41.25 37.26 1orm s ASN 116 CO 0.19 -0.23 0.29 1.55 -2.94 0.00 0.00 177.10 175.96 1orm h PRO 117 N 8.35 -0.09 0.00 3.55 0.13 -1.96 -3.45 132.00 138.53 1orm h PRO 117 Ca -0.31 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1orm h PRO 117 Cb 1.14 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1orm h PRO 117 CO 0.62 -0.06 -0.99 0.00 -0.23 0.00 0.00 178.00 177.34 1orm n MET 118 N -2.85 0.94 0.00 0.86 0.00 -1.26 -5.00 117.12 109.81 1orm n MET 118 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.69 1orm n MET 118 Cb 0.04 -0.99 0.00 0.00 0.00 0.00 0.00 33.22 32.27 1orm n MET 118 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1orm n GLU 119 N -2.36 0.00 0.00 3.17 -0.58 -1.26 -5.08 120.64 114.52 1orm n GLU 119 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1orm n GLU 119 Cb 0.49 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.36 1orm n GLU 119 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1orm n ASN 120 N -1.07 0.00 -3.92 1.62 5.15 -1.26 -4.90 115.26 110.89 1orm n ASN 120 Ca 0.00 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 1orm n ASN 120 Cb 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.13 1orm n ASN 120 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1orm s VAL 121 N 0.00 0.07 0.44 3.44 0.11 -1.25 -4.82 120.40 118.38 1orm s VAL 121 Ca 0.00 -0.57 0.07 0.00 -2.93 0.00 0.00 61.98 58.55 1orm s VAL 121 Cb 0.00 -0.24 -0.03 0.00 -1.53 0.00 0.00 36.38 34.59 1orm s VAL 121 CO 0.00 -0.31 0.28 0.00 -3.33 0.00 0.00 175.10 171.74 1orm s ALA 122 N -0.96 3.89 -0.30 1.54 0.00 -1.26 -4.28 121.76 120.40 1orm s ALA 122 Ca -0.10 -1.87 -0.17 0.00 0.00 0.00 0.00 51.96 49.82 1orm s ALA 122 Cb -0.06 -0.65 0.18 0.00 0.00 0.00 0.00 23.12 22.59 1orm s ALA 122 CO -0.00 -0.23 1.11 -1.17 0.00 0.00 0.00 175.76 175.47 1orm s LEU 123 N -4.04 -0.34 -0.09 0.00 0.20 -1.08 -4.46 118.68 108.86 1orm s LEU 123 Ca 0.42 0.49 -0.26 0.00 0.69 0.00 0.00 54.13 55.47 1orm s LEU 123 Cb 0.00 1.42 -0.03 0.00 -0.43 0.00 0.00 46.19 47.16 1orm s LEU 123 CO 0.24 -0.07 0.83 1.51 -0.29 0.00 0.00 176.35 178.57 1orm s ASP 124 N 1.96 7.08 -0.28 3.68 1.47 -1.26 -4.33 116.67 124.99 1orm s ASP 124 Ca -0.03 1.32 -0.04 0.00 1.18 0.00 0.00 52.55 54.97 1orm s ASP 124 Cb -0.04 -2.47 -0.02 0.00 -0.34 0.00 0.00 42.92 40.05 1orm s ASP 124 CO -0.16 -0.27 2.91 0.33 0.68 0.00 0.00 175.17 178.66 1orm n PHE 125 N 4.42 1.02 -3.20 2.11 -0.00 -1.26 -4.46 117.46 116.09 1orm n PHE 125 Ca 0.03 -1.76 -0.07 0.00 -0.00 0.00 0.00 57.45 55.65 1orm n PHE 125 Cb 0.50 -1.36 0.01 0.00 -0.00 0.00 0.00 39.48 38.63 1orm n PHE 125 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1orm n SER 126 N 1.34 -6.24 -3.22 -2.13 2.88 -0.77 -4.97 113.62 100.51 1orm n SER 126 Ca 0.43 0.29 -0.01 0.00 -1.33 0.00 0.00 58.87 58.24 1orm n SER 126 Cb 0.66 -1.54 -0.02 0.00 -0.75 0.00 0.00 64.21 62.56 1orm n SER 126 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1orm s TYR 127 N -1.06 -1.54 0.00 0.66 2.02 -1.26 -4.65 117.35 111.51 1orm s TYR 127 Ca 0.07 0.33 0.00 0.00 -0.37 0.00 0.00 57.07 57.10 1orm s TYR 127 Cb -0.01 0.20 0.00 0.00 -0.40 0.00 0.00 41.96 41.75 1orm s TYR 127 CO 0.16 -1.12 0.00 -0.85 -1.57 0.00 0.00 175.55 172.17 1orm n GLU 128 N 4.70 0.00 0.00 -0.62 0.28 -1.17 -2.81 120.64 121.02 1orm n GLU 128 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1orm n GLU 128 Cb 0.54 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.41 1orm n GLU 128 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1orm n GLN 129 N 0.00 0.00 0.00 3.44 1.13 -0.73 -4.38 117.38 116.84 1orm n GLN 129 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1orm n GLN 129 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1orm n GLN 129 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1orm n SER 130 N 0.00 0.00 0.00 1.08 2.88 -1.25 -2.90 113.62 113.43 1orm n SER 130 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1orm n SER 130 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1orm n SER 130 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1orm n ARG 131 N 0.00 0.00 0.00 -1.46 3.00 -1.23 -4.89 116.66 112.08 1orm n ARG 131 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 57.85 57.97 1orm n ARG 131 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 32.46 31.87 1orm n ARG 131 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 1orm n ILE 132 N -2.30 0.00 0.00 5.15 3.06 -1.26 -4.91 119.36 119.10 1orm n ILE 132 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1orm n ILE 132 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1orm n ILE 132 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 1orm n ARG 133 N 0.00 0.00 0.00 9.51 3.00 -1.26 -4.83 116.66 123.08 1orm n ARG 133 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1orm n ARG 133 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 32.46 31.59 1orm n ARG 133 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1orm n SER 134 N -2.56 0.62 0.00 6.15 7.64 -1.26 -4.98 113.62 119.23 1orm n SER 134 Ca 0.00 -1.28 0.00 0.00 1.01 0.00 0.00 58.87 58.60 1orm n SER 134 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1orm n SER 134 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1orm n VAL 135 N -0.14 0.00 -3.17 0.44 0.31 -1.26 -2.61 118.33 111.90 1orm n VAL 135 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 1orm n VAL 135 Cb 0.38 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.30 1orm n VAL 135 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1orm s ASP 136 N 0.00 -1.58 0.49 4.52 -4.77 -1.26 -4.17 116.67 109.90 1orm s ASP 136 Ca 0.00 -0.11 0.04 0.00 -3.30 0.00 0.00 52.55 49.17 1orm s ASP 136 Cb 0.00 1.99 -0.02 0.00 -1.09 0.00 0.00 42.92 43.80 1orm s ASP 136 CO 0.00 -0.25 0.11 0.54 0.70 0.00 0.00 175.17 176.26 1orm s VAL 137 N 2.53 1.52 0.00 2.11 0.11 -1.14 -4.64 120.40 120.88 1orm s VAL 137 Ca 0.12 -1.86 0.00 0.00 -2.93 0.00 0.00 61.98 57.31 1orm s VAL 137 Cb -0.08 -2.38 0.00 0.00 -1.53 0.00 0.00 36.38 32.39 1orm s VAL 137 CO -0.20 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.18 1orm n GLY 138 N -1.32 0.82 3.45 6.54 0.00 -1.26 -1.78 105.19 111.64 1orm n GLY 138 Ca -0.11 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 1orm n GLY 138 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1orm s THR 139 N -1.75 5.15 -1.06 2.61 2.01 -1.26 -4.54 115.64 116.79 1orm s THR 139 Ca 0.00 -0.61 -0.05 0.00 0.31 0.00 0.00 61.69 61.34 1orm s THR 139 Cb 0.00 -4.05 0.29 0.00 0.01 0.00 0.00 72.50 68.74 1orm s THR 139 CO 0.00 -0.46 1.25 1.87 -0.69 0.00 0.00 174.62 176.59 1orm n TRP 140 N 5.45 3.65 -4.12 4.92 -0.00 -1.24 -1.84 117.44 124.24 1orm n TRP 140 Ca -0.09 -3.29 -0.10 0.00 -0.00 0.00 0.00 57.50 54.01 1orm n TRP 140 Cb 0.46 -1.39 -0.09 0.00 -0.00 0.00 0.00 31.31 30.29 1orm n TRP 140 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1orm s ILE 141 N -2.10 0.06 -0.74 5.87 -1.09 -1.26 -4.64 121.20 117.30 1orm s ILE 141 Ca 0.31 -1.82 0.00 0.00 -2.23 0.00 0.00 60.65 56.91 1orm s ILE 141 Cb -0.01 -2.15 0.18 0.00 -1.58 0.00 0.00 42.46 38.90 1orm s ILE 141 CO 0.01 -0.28 0.56 0.00 -1.23 0.00 0.00 174.94 174.01 1orm s ALA 142 N -4.07 3.87 0.22 9.38 0.00 -1.26 -4.37 121.76 125.53 1orm s ALA 142 Ca 0.27 -3.65 -0.30 0.00 0.00 0.00 0.00 51.96 48.29 1orm s ALA 142 Cb 0.06 -2.54 -0.08 0.00 0.00 0.00 0.00 23.12 20.56 1orm s ALA 142 CO 0.05 -2.11 1.03 0.20 0.00 0.00 0.00 175.76 174.92 1orm s GLY 143 N -0.33 3.02 -0.55 0.00 0.00 -1.26 -4.78 107.32 103.42 1orm s GLY 143 Ca 0.23 0.74 -0.20 0.00 0.00 0.00 0.00 44.72 45.49 1orm s GLY 143 CO -0.10 1.43 0.73 0.14 0.00 0.00 0.00 173.10 175.30 1orm s VAL 144 N -0.77 4.72 -0.28 1.40 1.01 -1.26 -4.49 120.40 120.72 1orm s VAL 144 Ca 0.45 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.68 1orm s VAL 144 Cb -0.28 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 31.67 1orm s VAL 144 CO 0.35 -1.02 0.84 -0.83 0.00 0.00 0.00 175.10 174.44 1orm s GLY 145 N 3.08 1.71 -0.24 4.51 0.00 -1.26 -4.49 107.32 110.63 1orm s GLY 145 Ca 0.17 -0.27 -0.06 0.00 0.00 0.00 0.00 44.72 44.56 1orm s GLY 145 CO 0.11 1.84 0.49 -0.47 0.00 0.00 0.00 173.10 175.07 1orm s TYR 146 N 3.01 -1.03 0.18 1.90 5.04 -1.26 -4.48 117.35 120.71 1orm s TYR 146 Ca 0.35 1.65 0.06 0.00 -2.44 0.00 0.00 57.07 56.69 1orm s TYR 146 Cb -0.14 0.42 -0.04 0.00 0.35 0.00 0.00 41.96 42.55 1orm s TYR 146 CO 0.11 -0.61 0.09 -0.98 -1.34 0.00 0.00 175.55 172.82 1orm s ARG 147 N 2.70 2.71 0.00 4.97 3.03 -1.26 -4.01 118.95 127.09 1orm s ARG 147 Ca 0.02 -1.00 0.00 0.00 2.03 0.00 0.00 55.73 56.78 1orm s ARG 147 Cb -0.13 -2.52 0.00 0.00 -1.03 0.00 0.00 34.95 31.27 1orm s ARG 147 CO -0.16 0.46 0.00 0.34 -1.13 0.00 0.00 175.30 174.81