#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 -3.64 0.00 -1.04 -1.25 -3.94 114.28 104.41 1orm n THR 2 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1orm n THR 2 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 1orm n THR 2 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1orm s SER 3 N -4.00 -0.78 0.00 8.00 1.04 -1.26 -3.85 113.70 112.86 1orm s SER 3 Ca 0.00 1.31 0.00 0.00 0.48 0.00 0.00 55.95 57.74 1orm s SER 3 Cb 0.00 1.33 0.00 0.00 0.10 0.00 0.00 66.02 67.45 1orm s SER 3 CO 0.00 -0.21 0.00 0.41 0.98 0.00 0.00 173.24 174.42 1orm n THR 4 N 3.65 0.00 -3.59 2.02 -1.04 -1.25 -4.21 114.28 109.86 1orm n THR 4 Ca -0.18 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.69 1orm n THR 4 Cb 0.58 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.02 1orm n THR 4 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1orm s VAL 5 N 1.18 0.00 0.02 12.58 0.11 -1.26 -4.78 120.40 128.25 1orm s VAL 5 Ca 0.00 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.03 1orm s VAL 5 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1orm s VAL 5 CO 0.00 0.00 0.02 -0.89 -3.33 0.00 0.00 175.10 170.90 1orm s THR 6 N -0.31 0.12 -0.87 5.04 2.01 -1.26 -4.11 115.64 116.25 1orm s THR 6 Ca -0.03 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 60.98 1orm s THR 6 Cb -0.03 -0.48 0.22 0.00 0.01 0.00 0.00 72.50 72.21 1orm s THR 6 CO 0.03 -0.53 0.76 -0.83 -0.69 0.00 0.00 174.62 173.35 1orm s GLY 7 N -1.66 3.03 1.22 4.40 0.00 -1.26 -3.67 107.32 109.38 1orm s GLY 7 Ca -0.12 -3.80 -0.18 0.00 0.00 0.00 0.00 44.72 40.62 1orm s GLY 7 CO -0.02 1.19 0.64 0.61 0.00 0.00 0.00 173.10 175.52 1orm n GLY 8 N 2.41 -2.94 3.09 0.20 0.00 -1.26 -4.07 105.19 102.62 1orm n GLY 8 Ca 0.20 -0.95 0.03 0.00 0.00 0.00 0.00 46.02 45.30 1orm n GLY 8 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1orm s TYR 9 N -2.06 -1.24 -0.40 1.61 6.14 -1.26 -4.76 117.35 115.38 1orm s TYR 9 Ca 0.49 0.43 0.03 0.00 0.64 0.00 0.00 57.07 58.66 1orm s TYR 9 Cb -0.09 0.22 0.11 0.00 0.42 0.00 0.00 41.96 42.63 1orm s TYR 9 CO 0.41 -0.79 0.14 0.00 0.64 0.00 0.00 175.55 175.96 1orm s ALA 10 N 2.33 2.62 -0.25 3.97 0.00 -1.26 -3.21 121.76 125.97 1orm s ALA 10 Ca 0.16 -2.57 -0.31 0.00 0.00 0.00 0.00 51.96 49.24 1orm s ALA 10 Cb -0.04 -1.94 0.17 0.00 0.00 0.00 0.00 23.12 21.32 1orm s ALA 10 CO -0.17 -1.83 1.28 1.14 0.00 0.00 0.00 175.76 176.18 1orm s GLN 11 N 0.65 0.19 0.03 0.00 -2.07 -1.26 -4.12 119.66 113.07 1orm s GLN 11 Ca 0.13 0.02 0.00 0.00 -1.82 0.00 0.00 55.36 53.69 1orm s GLN 11 Cb -0.21 0.09 0.00 0.00 -1.09 0.00 0.00 33.01 31.79 1orm s GLN 11 CO -0.08 -0.06 0.00 0.45 -1.32 0.00 0.00 175.29 174.28 1orm n SER 12 N 0.43 -0.31 -3.59 12.60 2.88 -1.26 -4.80 113.62 119.56 1orm n SER 12 Ca -0.01 0.22 -0.10 0.00 -1.33 0.00 0.00 58.87 57.65 1orm n SER 12 Cb 0.58 0.49 -0.06 0.00 -0.75 0.00 0.00 64.21 64.48 1orm n SER 12 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1orm s ASP 13 N -1.38 -0.38 -0.06 -3.46 1.01 -1.26 -5.01 116.67 106.13 1orm s ASP 13 Ca 0.00 0.50 0.05 0.00 0.71 0.00 0.00 52.55 53.81 1orm s ASP 13 Cb 0.00 0.43 -0.02 0.00 1.01 0.00 0.00 42.92 44.35 1orm s ASP 13 CO 0.00 -0.29 -0.22 0.00 0.21 0.00 0.00 175.17 174.88 1orm s ALA 14 N -0.76 2.32 -0.56 5.23 0.00 -1.26 -4.07 121.76 122.65 1orm s ALA 14 Ca -0.00 -1.02 -0.25 0.00 0.00 0.00 0.00 51.96 50.68 1orm s ALA 14 Cb -0.02 -0.78 -0.22 0.00 0.00 0.00 0.00 23.12 22.10 1orm s ALA 14 CO -0.01 0.44 1.83 0.94 0.00 0.00 0.00 175.76 178.96 1orm n GLN 15 N 2.83 1.04 0.00 0.00 7.27 -1.26 -3.74 117.38 123.52 1orm n GLN 15 Ca -0.17 -1.61 0.00 0.00 0.07 0.00 0.00 57.00 55.29 1orm n GLN 15 Cb 0.52 -2.83 0.00 0.00 2.41 0.00 0.00 30.24 30.34 1orm n GLN 15 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1orm n GLY 16 N 4.72 -1.37 0.00 1.69 0.00 -1.26 -4.83 105.19 104.15 1orm n GLY 16 Ca 0.49 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.89 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 -1.15 0.00 -2.82 1.61 7.27 -1.24 -5.07 117.38 115.98 1orm n GLN 17 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.06 1orm n GLN 17 Cb 0.00 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.64 1orm n GLN 17 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1orm n MET 18 N 0.00 -2.94 -3.91 3.69 2.81 -1.26 -5.00 117.12 110.51 1orm n MET 18 Ca 0.00 2.43 -0.30 0.00 -1.81 0.00 0.00 57.70 58.01 1orm n MET 18 Cb 0.00 -4.15 -0.15 0.00 -0.71 0.00 0.00 33.22 28.21 1orm n MET 18 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1orm s ASN 19 N -1.21 3.94 -0.89 7.83 0.01 -1.26 -5.04 114.94 118.31 1orm s ASN 19 Ca -0.06 -1.34 -0.24 0.00 -0.71 0.00 0.00 52.86 50.51 1orm s ASN 19 Cb 0.00 -1.17 -0.01 0.00 0.41 0.00 0.00 41.25 40.49 1orm s ASN 19 CO 0.58 -0.28 1.72 -0.54 -1.51 0.00 0.00 177.10 177.07 1orm s LYS 20 N 1.39 2.95 -0.72 -0.60 -0.14 -1.26 -4.55 119.74 116.82 1orm s LYS 20 Ca -0.02 -0.46 -0.01 0.00 -1.36 0.00 0.00 55.97 54.13 1orm s LYS 20 Cb -0.19 -5.01 0.18 0.00 -1.68 0.00 0.00 37.83 31.13 1orm s LYS 20 CO -0.09 -2.82 0.55 -1.64 -0.76 0.00 0.00 175.35 170.58 1orm s MET 21 N 6.25 2.74 0.18 1.68 -1.94 -1.26 -4.14 119.30 122.81 1orm s MET 21 Ca 0.59 -2.91 0.07 0.00 -1.71 0.00 0.00 55.69 51.73 1orm s MET 21 Cb -0.05 -3.73 -0.05 0.00 2.01 0.00 0.00 34.83 33.02 1orm s MET 21 CO -0.00 -1.21 -0.13 0.20 -0.01 0.00 0.00 175.02 173.86 1orm s GLY 22 N 0.01 1.30 0.00 -0.03 0.00 -1.26 -4.08 107.32 103.25 1orm s GLY 22 Ca 0.22 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.36 1orm s GLY 22 CO -0.08 -1.67 0.00 0.61 0.00 0.00 0.00 173.10 171.96 1orm n GLY 23 N -0.22 2.72 0.00 0.20 0.00 -1.26 -3.94 105.19 102.69 1orm n GLY 23 Ca -0.09 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1orm n GLY 23 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1orm n PHE 24 N -0.21 0.00 0.00 1.61 1.16 -1.26 -4.44 117.46 114.33 1orm n PHE 24 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1orm n PHE 24 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1orm n PHE 24 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 1orm n ASN 25 N 0.00 0.00 -3.63 5.98 0.23 -1.26 -4.56 115.26 112.02 1orm n ASN 25 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.94 1orm n ASN 25 Cb 0.00 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.63 1orm n ASN 25 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1orm s LEU 26 N 0.00 -0.66 -0.31 -4.53 0.20 -1.24 -4.89 118.68 107.25 1orm s LEU 26 Ca 0.00 1.25 -0.03 0.00 0.69 0.00 0.00 54.13 56.04 1orm s LEU 26 Cb 0.00 2.25 0.19 0.00 -0.43 0.00 0.00 46.19 48.20 1orm s LEU 26 CO 0.00 -0.21 0.84 -0.75 -0.29 0.00 0.00 176.35 175.94 1orm s LYS 27 N 0.47 0.37 -0.22 1.98 2.47 -1.26 -4.72 119.74 118.82 1orm s LYS 27 Ca -0.00 0.22 -0.00 0.00 -1.56 0.00 0.00 55.97 54.63 1orm s LYS 27 Cb -0.05 0.13 0.06 0.00 -1.46 0.00 0.00 37.83 36.51 1orm s LYS 27 CO -0.04 -0.64 -0.03 0.71 0.16 0.00 0.00 175.35 175.51 1orm s TYR 28 N 2.68 2.00 0.25 4.03 2.02 -1.26 -3.93 117.35 123.13 1orm s TYR 28 Ca 0.19 -1.49 0.01 0.00 -0.37 0.00 0.00 57.07 55.41 1orm s TYR 28 Cb -0.04 -1.42 -0.04 0.00 -0.40 0.00 0.00 41.96 40.06 1orm s TYR 28 CO -0.21 -0.73 0.16 -0.98 -1.57 0.00 0.00 175.55 172.22 1orm s ARG 29 N 1.53 1.39 -0.21 -0.62 1.70 -1.25 -4.15 118.95 117.33 1orm s ARG 29 Ca -0.04 -1.76 -0.02 0.00 -0.47 0.00 0.00 55.73 53.44 1orm s ARG 29 Cb -0.18 0.16 0.06 0.00 -0.57 0.00 0.00 34.95 34.42 1orm s ARG 29 CO -0.07 -0.44 0.01 -0.47 -1.08 0.00 0.00 175.30 173.26 1orm s TYR 30 N -3.90 1.49 -0.04 5.89 5.04 -1.25 -4.01 117.35 120.57 1orm s TYR 30 Ca 0.39 -1.17 -0.02 0.00 -2.44 0.00 0.00 57.07 53.82 1orm s TYR 30 Cb 0.06 -1.23 0.02 0.00 0.35 0.00 0.00 41.96 41.16 1orm s TYR 30 CO 0.16 -0.67 0.09 -1.83 -1.34 0.00 0.00 175.55 171.95 1orm s GLU 31 N 1.70 0.07 -0.26 4.97 -1.05 -1.26 -4.58 118.70 118.28 1orm s GLU 31 Ca -0.02 0.19 0.23 0.00 -0.15 0.00 0.00 54.97 55.21 1orm s GLU 31 Cb -0.18 -0.07 0.51 0.00 -0.44 0.00 0.00 34.13 33.95 1orm s GLU 31 CO -0.08 -0.08 1.10 -1.91 0.95 0.00 0.00 175.26 175.24 1orm n GLU 32 N 3.54 1.69 0.00 -4.83 2.13 -1.26 -3.90 120.64 118.01 1orm n GLU 32 Ca -0.19 -3.49 0.00 0.00 0.66 0.00 0.00 57.16 54.14 1orm n GLU 32 Cb 0.56 -1.58 0.00 0.00 0.27 0.00 0.00 31.44 30.68 1orm n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1orm n ASP 33 N -0.56 0.00 -3.20 4.31 2.03 -1.26 -4.49 116.55 113.37 1orm n ASP 33 Ca 0.07 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.15 1orm n ASP 33 Cb 0.80 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 41.14 1orm n ASP 33 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1orm n ASN 34 N 2.94 0.85 -3.22 1.67 0.23 -1.26 -4.42 115.26 112.05 1orm n ASN 34 Ca 0.00 -2.88 -0.24 0.00 -0.53 0.00 0.00 54.58 50.92 1orm n ASN 34 Cb 0.00 -0.63 -0.07 0.00 -2.08 0.00 0.00 39.78 36.99 1orm n ASN 34 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1orm n SER 35 N 1.00 0.19 -2.86 0.53 2.88 -1.26 -5.00 113.62 109.11 1orm n SER 35 Ca 0.23 -2.68 -0.22 0.00 -1.33 0.00 0.00 58.87 54.87 1orm n SER 35 Cb 0.55 -0.63 -0.06 0.00 -0.75 0.00 0.00 64.21 63.32 1orm n SER 35 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1orm n PRO 36 N 1.55 2.35 -3.33 -1.46 -0.04 -1.26 -4.59 135.00 128.22 1orm n PRO 36 Ca 0.22 -1.43 -0.10 0.00 -0.04 0.00 0.00 63.50 62.15 1orm n PRO 36 Cb 0.52 -2.36 -0.07 0.00 -0.04 0.00 0.00 33.50 31.56 1orm n PRO 36 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1orm s LEU 37 N 0.08 -0.68 -0.10 1.53 2.34 -1.26 -4.86 118.68 115.74 1orm s LEU 37 Ca 0.52 -0.26 -0.31 0.00 0.06 0.00 0.00 54.13 54.13 1orm s LEU 37 Cb 0.17 1.03 0.11 0.00 -0.56 0.00 0.00 46.19 46.94 1orm s LEU 37 CO -0.03 -0.34 1.39 -0.83 -1.06 0.00 0.00 176.35 175.47 1orm s GLY 38 N 2.52 -0.25 -0.06 -3.48 0.00 -1.26 -4.76 107.32 100.03 1orm s GLY 38 Ca 0.10 0.26 -0.02 0.00 0.00 0.00 0.00 44.72 45.06 1orm s GLY 38 CO -0.27 6.26 0.13 0.54 0.00 0.00 0.00 173.10 179.76 1orm s VAL 39 N -2.00 -0.07 -0.05 1.40 0.11 -1.26 -4.05 120.40 114.48 1orm s VAL 39 Ca 0.31 0.21 0.01 0.00 -2.93 0.00 0.00 61.98 59.57 1orm s VAL 39 Cb 0.01 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.61 1orm s VAL 39 CO -0.03 0.09 -0.04 -0.51 -3.33 0.00 0.00 175.10 171.28 1orm s ILE 40 N 1.29 3.94 0.00 7.04 1.10 -0.97 -4.44 121.20 129.17 1orm s ILE 40 Ca -0.08 -0.50 0.00 0.00 -0.51 0.00 0.00 60.65 59.57 1orm s ILE 40 Cb -0.12 -2.67 0.00 0.00 0.15 0.00 0.00 42.46 39.82 1orm s ILE 40 CO -0.05 0.52 0.00 0.61 -2.11 0.00 0.00 174.94 173.91 1orm n GLY 41 N 1.92 4.60 3.64 1.50 0.00 -1.26 -3.24 105.19 112.34 1orm n GLY 41 Ca -0.17 -1.61 -0.04 0.00 0.00 0.00 0.00 46.02 44.20 1orm n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1orm s SER 42 N -0.18 -0.14 -0.43 1.61 1.04 -1.26 -4.62 113.70 109.72 1orm s SER 42 Ca 0.00 0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.64 1orm s SER 42 Cb 0.00 0.24 0.12 0.00 0.10 0.00 0.00 66.02 66.47 1orm s SER 42 CO 0.00 -0.06 0.23 0.12 0.98 0.00 0.00 173.24 174.51 1orm s PHE 43 N -0.20 3.57 -0.27 5.02 5.36 -1.26 -4.65 117.98 125.54 1orm s PHE 43 Ca 0.06 -2.45 -0.19 0.00 -0.96 0.00 0.00 56.93 53.39 1orm s PHE 43 Cb -0.04 -3.23 -0.02 0.00 -0.34 0.00 0.00 43.02 39.39 1orm s PHE 43 CO -0.12 -0.96 0.57 -0.08 -1.46 0.00 0.00 175.22 173.18 1orm s THR 44 N 1.00 5.02 -0.41 0.12 -1.32 -1.26 -4.11 115.64 114.67 1orm s THR 44 Ca 0.09 0.92 -0.15 0.00 -1.21 0.00 0.00 61.69 61.34 1orm s THR 44 Cb -0.23 -3.90 0.02 0.00 -1.51 0.00 0.00 72.50 66.88 1orm s THR 44 CO -0.04 0.01 0.34 -0.47 -2.21 0.00 0.00 174.62 172.25 1orm s TYR 45 N 2.43 3.22 -0.35 9.09 6.14 -1.26 -4.43 117.35 132.19 1orm s TYR 45 Ca 0.23 -0.50 -0.24 0.00 0.64 0.00 0.00 57.07 57.21 1orm s TYR 45 Cb -0.15 -2.67 0.01 0.00 0.42 0.00 0.00 41.96 39.57 1orm s TYR 45 CO 0.10 -0.60 0.83 0.95 0.64 0.00 0.00 175.55 177.46 1orm s THR 46 N 1.81 4.70 -0.72 4.34 -4.23 -1.25 -4.16 115.64 116.12 1orm s THR 46 Ca 0.07 1.04 -0.01 0.00 -1.18 0.00 0.00 61.69 61.60 1orm s THR 46 Cb -0.18 -4.24 0.40 0.00 1.34 0.00 0.00 72.50 69.82 1orm s THR 46 CO 0.11 -0.43 1.95 -1.84 -0.54 0.00 0.00 174.62 173.87 1orm n GLU 47 N 6.49 2.80 -3.35 3.99 0.28 -1.26 -4.76 120.64 124.83 1orm n GLU 47 Ca 0.04 -3.49 -0.38 0.00 -0.16 0.00 0.00 57.16 53.17 1orm n GLU 47 Cb 0.48 -2.28 -0.07 0.00 1.43 0.00 0.00 31.44 31.00 1orm n GLU 47 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1orm s LYS 48 N -3.92 4.17 -0.04 3.44 2.47 -1.26 -4.94 119.74 119.66 1orm s LYS 48 Ca 0.58 0.26 -0.31 0.00 -1.56 0.00 0.00 55.97 54.93 1orm s LYS 48 Cb 0.47 -3.55 0.12 0.00 -1.46 0.00 0.00 37.83 33.41 1orm s LYS 48 CO -0.20 -0.08 1.22 -1.12 0.16 0.00 0.00 175.35 175.32 1orm s SER 49 N 1.10 -0.10 0.19 1.43 0.01 -1.26 -4.83 113.70 110.24 1orm s SER 49 Ca 0.20 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1orm s SER 49 Cb -0.15 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.28 1orm s SER 49 CO 0.09 -0.36 0.00 -1.14 0.41 0.00 0.00 173.24 172.24 1orm n ARG 50 N -0.38 0.00 -1.89 12.44 3.00 -1.25 -5.05 116.66 123.53 1orm n ARG 50 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 1orm n ARG 50 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.07 1orm n ARG 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1orm n THR 51 N -3.12-11.40 -3.85 5.15 -1.04 0.34 -4.63 114.28 95.73 1orm n THR 51 Ca 0.00 3.04 -0.37 0.00 -2.04 0.00 0.00 64.05 64.68 1orm n THR 51 Cb 0.00 -4.91 0.03 0.00 -1.82 0.00 0.00 70.33 63.63 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 1.52 -2.55 0.11 2.41 0.00 -1.26 -4.67 120.51 116.06 1orm n ALA 52 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1orm n ALA 52 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 19.45 15.99 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 -2.49 -1.94 -0.08 0.00 2.88 -1.26 -4.98 113.62 105.74 1orm n SER 53 Ca -0.11 0.68 -0.10 0.00 -1.33 0.00 0.00 58.87 58.01 1orm n SER 53 Cb 0.58 2.06 -0.07 0.00 -0.75 0.00 0.00 64.21 66.03 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 -3.18 2.70 0.00 -3.46 2.88 -1.26 -5.04 113.62 106.27 1orm n SER 54 Ca 0.00 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1orm n SER 54 Cb 0.00 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 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 2.70 0.83 2.82 0.46 0.00 -1.26 -5.04 105.19 105.70 1orm n GLY 55 Ca -0.27 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 1orm n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1orm s ASP 56 N -0.68 1.41 -0.53 1.61 1.01 -1.26 -3.71 116.67 114.51 1orm s ASP 56 Ca 0.00 -0.11 0.02 0.00 0.71 0.00 0.00 52.55 53.16 1orm s ASP 56 Cb 0.00 -0.47 0.59 0.00 1.01 0.00 0.00 42.92 44.05 1orm s ASP 56 CO 0.00 -0.14 1.96 -1.22 0.21 0.00 0.00 175.17 175.98 1orm n TYR 57 N 4.78 3.13 -3.18 4.23 4.02 -1.26 0.13 117.16 129.01 1orm n TYR 57 Ca -0.13 -2.30 -0.02 0.00 -0.01 0.00 0.00 57.90 55.43 1orm n TYR 57 Cb 0.50 -1.14 0.00 0.00 -0.02 0.00 0.00 39.34 38.68 1orm n TYR 57 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1orm n ASN 58 N -1.06 -6.61 0.00 7.72 0.23 -1.26 -4.82 115.26 109.46 1orm n ASN 58 Ca 0.61 0.44 0.00 0.00 -0.53 0.00 0.00 54.58 55.10 1orm n ASN 58 Cb 1.29 -1.81 0.00 0.00 -2.08 0.00 0.00 39.78 37.17 1orm n ASN 58 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1orm n LYS 59 N 1.18 0.00 0.03 -3.83 3.00 -1.26 -4.91 118.16 112.37 1orm n LYS 59 Ca -0.00 0.71 0.00 0.00 -0.00 0.00 0.00 58.31 59.02 1orm n LYS 59 Cb 0.48 -1.24 0.00 0.00 0.00 0.00 0.00 35.03 34.27 1orm n LYS 59 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1orm n ASN 60 N -1.91 -0.49 -3.64 3.14 2.85 -1.26 -5.10 115.26 108.85 1orm n ASN 60 Ca 0.00 0.21 -0.03 0.00 -0.11 0.00 0.00 54.58 54.65 1orm n ASN 60 Cb 0.00 0.67 -0.05 0.00 1.24 0.00 0.00 39.78 41.64 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 -1.32 0.10 0.11 1.20 -2.07 -1.26 -5.07 119.66 111.35 1orm s GLN 61 Ca 0.00 0.04 -0.09 0.00 -1.82 0.00 0.00 55.36 53.48 1orm s GLN 61 Cb 0.00 0.05 -0.00 0.00 -1.09 0.00 0.00 33.01 31.97 1orm s GLN 61 CO 0.00 -0.03 0.23 0.71 -1.32 0.00 0.00 175.29 174.88 1orm s TYR 62 N -0.85 0.20 0.00 9.60 1.51 -1.26 -5.07 117.35 121.48 1orm s TYR 62 Ca 0.08 -0.61 0.00 0.00 -1.01 0.00 0.00 57.07 55.53 1orm s TYR 62 Cb -0.02 -0.04 0.00 0.00 -0.11 0.00 0.00 41.96 41.80 1orm s TYR 62 CO -0.08 -0.61 0.00 2.48 -1.11 0.00 0.00 175.55 176.23 1orm n TYR 63 N -0.12 -0.37 -3.64 2.71 4.11 -1.26 -4.02 117.16 114.56 1orm n TYR 63 Ca -0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.67 1orm n TYR 63 Cb 0.63 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.94 1orm n TYR 63 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1orm s GLY 64 N -2.22 -0.29 0.14 -7.48 0.00 -1.26 -3.66 107.32 92.55 1orm s GLY 64 Ca 0.00 0.03 -0.27 0.00 0.00 0.00 0.00 44.72 44.48 1orm s GLY 64 CO 0.00 -0.08 0.84 -0.42 0.00 0.00 0.00 173.10 173.43 1orm s ILE 65 N -3.83 4.42 -0.61 0.90 1.01 -1.26 -4.75 121.20 117.08 1orm s ILE 65 Ca 0.06 1.83 -0.03 0.00 0.00 0.00 0.00 60.65 62.51 1orm s ILE 65 Cb -0.02 -4.20 0.16 0.00 0.01 0.00 0.00 42.46 38.41 1orm s ILE 65 CO -0.05 0.44 0.42 -0.89 0.00 0.00 0.00 174.94 174.86 1orm s THR 66 N -0.68 3.64 0.00 2.92 2.01 -1.26 -3.14 115.64 119.13 1orm s THR 66 Ca 0.39 -2.94 0.00 0.00 0.31 0.00 0.00 61.69 59.46 1orm s THR 66 Cb -0.23 -3.39 0.00 0.00 0.01 0.00 0.00 72.50 68.89 1orm s THR 66 CO 0.27 -0.87 0.00 0.00 -0.69 0.00 0.00 174.62 173.34 1orm n ALA 67 N 3.52 0.00 0.00 7.40 0.00 -1.26 -4.36 120.51 125.81 1orm n ALA 67 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1orm n ALA 67 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1orm n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1orm n GLY 68 N 0.00 -0.66 3.81 0.00 0.00 -1.20 -4.80 105.19 102.33 1orm n GLY 68 Ca 0.00 0.33 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 1orm n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1orm s PRO 69 N 0.00 3.49 0.22 1.61 0.04 -1.26 -2.28 135.00 136.81 1orm s PRO 69 Ca 0.00 1.22 0.08 0.00 0.04 0.00 0.00 61.00 62.34 1orm s PRO 69 Cb 0.00 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 1orm s PRO 69 CO 0.00 -0.67 -0.14 0.00 0.04 0.00 0.00 177.00 176.23 1orm s ALA 70 N -2.36 2.10 0.04 8.56 0.00 -1.26 -4.55 121.76 124.29 1orm s ALA 70 Ca 0.64 -1.70 -0.28 0.00 0.00 0.00 0.00 51.96 50.61 1orm s ALA 70 Cb -0.16 -0.06 0.10 0.00 0.00 0.00 0.00 23.12 23.00 1orm s ALA 70 CO 0.32 0.06 1.20 0.71 0.00 0.00 0.00 175.76 178.06 1orm s TYR 71 N -2.95 -0.05 0.45 0.00 2.02 -1.26 -4.82 117.35 110.75 1orm s TYR 71 Ca 0.24 -0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.82 1orm s TYR 71 Cb -0.00 0.58 0.00 0.00 -0.40 0.00 0.00 41.96 42.13 1orm s TYR 71 CO 0.08 -0.44 0.00 -2.13 -1.57 0.00 0.00 175.55 171.49 1orm n ARG 72 N -0.54 -2.75 -3.31 -0.62 3.00 -1.26 -4.80 116.66 106.38 1orm n ARG 72 Ca -0.07 2.19 -0.22 0.00 -0.00 0.00 0.00 57.85 59.75 1orm n ARG 72 Cb 0.62 -2.90 0.02 0.00 0.00 0.00 0.00 32.46 30.20 1orm n ARG 72 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1orm n ILE 73 N -2.98 -4.31 -3.54 5.15 5.41 -1.26 -4.88 119.36 112.95 1orm n ILE 73 Ca -0.03 0.38 -0.40 0.00 1.00 0.00 0.00 62.75 63.70 1orm n ILE 73 Cb 0.43 -3.85 -0.05 0.00 -0.71 0.00 0.00 39.64 35.45 1orm n ILE 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1orm s ASN 74 N -1.41 6.32 -0.07 4.38 2.47 -1.26 -4.72 114.94 120.64 1orm s ASN 74 Ca 0.23 -3.45 -0.04 0.00 0.42 0.00 0.00 52.86 50.02 1orm s ASN 74 Cb -0.03 -2.01 -0.03 0.00 -1.45 0.00 0.00 41.25 37.73 1orm s ASN 74 CO 0.58 -0.28 -0.09 -0.90 -3.72 0.00 0.00 177.10 172.69 1orm n ASP 75 N 2.78 0.52 -2.65 -4.21 5.68 -1.26 -4.98 116.55 112.42 1orm n ASP 75 Ca 0.19 0.09 -0.02 0.00 -0.50 0.00 0.00 54.79 54.55 1orm n ASP 75 Cb 0.39 -0.21 0.06 0.00 -1.14 0.00 0.00 41.12 40.22 1orm n ASP 75 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 1orm n TRP 76 N -3.33 -0.02 -3.85 2.11 4.27 -1.26 -4.84 117.44 110.53 1orm n TRP 76 Ca -0.13 -0.51 -0.05 0.00 -3.89 0.00 0.00 57.50 52.91 1orm n TRP 76 Cb 0.58 1.10 0.02 0.00 -1.36 0.00 0.00 31.31 31.66 1orm n TRP 76 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1orm n ALA 77 N 0.12 -2.28 -2.74 -1.67 0.00 -1.26 -4.97 120.51 107.71 1orm n ALA 77 Ca -0.17 -1.11 -0.06 0.00 0.00 0.00 0.00 53.44 52.10 1orm n ALA 77 Cb 0.71 0.74 0.03 0.00 0.00 0.00 0.00 19.45 20.94 1orm n ALA 77 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1orm n SER 78 N -1.39 -2.89 -4.21 0.00 3.41 -1.26 -4.92 113.62 102.37 1orm n SER 78 Ca -0.05 -2.84 -0.22 0.00 -0.26 0.00 0.00 58.87 55.51 1orm n SER 78 Cb 0.58 1.63 -0.13 0.00 -0.26 0.00 0.00 64.21 66.03 1orm n SER 78 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1orm s ILE 79 N 0.74 1.39 -0.30 -1.33 -5.25 -1.26 -4.82 121.20 110.36 1orm s ILE 79 Ca 0.30 -1.26 -0.12 0.00 -0.99 0.00 0.00 60.65 58.58 1orm s ILE 79 Cb 0.13 -1.26 0.18 0.00 2.95 0.00 0.00 42.46 44.46 1orm s ILE 79 CO -0.14 -0.03 1.08 -0.47 -1.79 0.00 0.00 174.94 173.59 1orm s TYR 80 N -1.02 -0.37 0.46 1.37 5.04 -1.26 -4.32 117.35 117.25 1orm s TYR 80 Ca 0.03 0.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.85 1orm s TYR 80 Cb -0.09 0.06 0.00 0.00 0.35 0.00 0.00 41.96 42.28 1orm s TYR 80 CO 0.02 -0.22 0.00 0.41 -1.34 0.00 0.00 175.55 174.43 1orm n GLY 81 N 4.86 -2.46 3.45 8.97 0.00 -1.26 -4.79 105.19 113.97 1orm n GLY 81 Ca 0.09 -0.84 -0.07 0.00 0.00 0.00 0.00 46.02 45.20 1orm n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1orm s VAL 82 N -3.91 -0.43 -0.22 1.61 0.11 -1.26 -4.55 120.40 111.75 1orm s VAL 82 Ca 0.00 0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.82 1orm s VAL 82 Cb 0.00 -0.82 0.16 0.00 -1.53 0.00 0.00 36.38 34.19 1orm s VAL 82 CO 0.00 0.03 1.17 0.54 -3.33 0.00 0.00 175.10 173.51 1orm s VAL 83 N 2.15 0.00 0.08 2.04 0.11 -1.26 -4.03 120.40 119.49 1orm s VAL 83 Ca -0.07 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.99 1orm s VAL 83 Cb -0.09 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.75 1orm s VAL 83 CO -0.16 0.00 0.09 0.61 -3.33 0.00 0.00 175.10 172.31 1orm n GLY 84 N 0.72 3.29 2.69 6.54 0.00 -1.19 -4.15 105.19 113.09 1orm n GLY 84 Ca -0.06 -1.56 -0.26 0.00 0.00 0.00 0.00 46.02 44.14 1orm n GLY 84 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1orm n VAL 85 N -0.14 2.52 -4.44 1.61 0.24 -1.26 -4.76 118.33 112.09 1orm n VAL 85 Ca 0.01 -5.14 -0.34 0.00 -2.04 0.00 0.00 64.34 56.83 1orm n VAL 85 Cb 0.14 -1.19 -0.12 0.00 -1.47 0.00 0.00 33.84 31.20 1orm n VAL 85 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1orm s GLY 86 N -3.44 1.73 -0.05 7.63 0.00 -1.24 -4.73 107.32 107.22 1orm s GLY 86 Ca 0.47 -0.83 -0.27 0.00 0.00 0.00 0.00 44.72 44.10 1orm s GLY 86 CO -0.15 -0.24 1.19 1.58 0.00 0.00 0.00 173.10 175.48 1orm n TYR 87 N 3.11 -0.19 -4.08 1.90 0.18 -1.26 -3.65 117.16 113.18 1orm n TYR 87 Ca -0.18 -0.55 -0.28 0.00 1.88 0.00 0.00 57.90 58.77 1orm n TYR 87 Cb 0.53 0.24 -0.05 0.00 -0.38 0.00 0.00 39.34 39.68 1orm n TYR 87 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1orm n GLY 88 N -0.86 -0.22 2.06 -7.48 0.00 -1.26 -4.81 105.19 92.62 1orm n GLY 88 Ca 0.05 0.17 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 1orm n GLY 88 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1orm n LYS 89 N -4.48 2.08 -2.75 1.61 0.00 -1.26 -4.49 118.16 108.86 1orm n LYS 89 Ca -0.31 -2.07 -0.01 0.00 -0.00 0.00 0.00 58.31 55.92 1orm n LYS 89 Cb 0.69 -1.83 0.02 0.00 -0.00 0.00 0.00 35.03 33.91 1orm n LYS 89 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 1orm s PHE 90 N -2.35 -0.56 0.28 5.58 -0.71 -1.26 -4.70 117.98 114.26 1orm s PHE 90 Ca 0.42 -0.07 -0.29 0.00 -1.04 0.00 0.00 56.93 55.95 1orm s PHE 90 Cb 0.32 0.11 -0.10 0.00 -1.21 0.00 0.00 43.02 42.14 1orm s PHE 90 CO -0.03 -0.41 1.15 -1.14 -1.34 0.00 0.00 175.22 173.46 1orm s GLN 91 N 1.40 4.57 -0.26 1.99 -0.44 -1.26 -5.02 119.66 120.63 1orm s GLN 91 Ca 0.20 1.90 -0.02 0.00 -2.50 0.00 0.00 55.36 54.94 1orm s GLN 91 Cb 0.07 -3.17 0.08 0.00 -1.64 0.00 0.00 33.01 28.35 1orm s GLN 91 CO -0.11 0.10 0.08 -0.08 0.50 0.00 0.00 175.29 175.77 1orm s THR 92 N -1.06 0.62 0.00 -0.34 -1.32 -1.26 -4.18 115.64 108.10 1orm s THR 92 Ca 0.46 -1.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.94 1orm s THR 92 Cb -0.34 -1.34 0.00 0.00 -1.51 0.00 0.00 72.50 69.31 1orm s THR 92 CO 0.43 -0.50 0.00 1.07 -2.21 0.00 0.00 174.62 173.41 1orm n THR 93 N 4.98 0.00 0.00 5.08 5.66 -1.24 -4.47 114.28 124.29 1orm n THR 93 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1orm n THR 93 Cb 0.44 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 1orm n THR 93 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1orm n GLU 94 N 0.00 0.00 -3.73 1.09 0.28 -1.26 -4.84 120.64 112.18 1orm n GLU 94 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.93 1orm n GLU 94 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 1orm n GLU 94 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1orm s TYR 95 N 0.00 -0.24 -0.64 -1.84 2.02 -1.26 -5.08 117.35 110.31 1orm s TYR 95 Ca 0.00 -0.11 -0.27 0.00 -0.37 0.00 0.00 57.07 56.32 1orm s TYR 95 Cb 0.00 0.65 0.01 0.00 -0.40 0.00 0.00 41.96 42.22 1orm s TYR 95 CO 0.00 -0.99 1.54 -1.25 -1.57 0.00 0.00 175.55 173.28 1orm s PRO 96 N -3.63 3.01 -0.82 -1.71 0.04 -1.26 -3.64 135.00 126.99 1orm s PRO 96 Ca 0.09 0.28 -0.04 0.00 0.04 0.00 0.00 61.00 61.37 1orm s PRO 96 Cb -0.03 -4.24 -0.05 0.00 0.04 0.00 0.00 34.50 30.21 1orm s PRO 96 CO 0.01 -2.31 0.72 2.41 0.04 0.00 0.00 177.00 177.87 1orm n THR 97 N 6.83 -7.64 -2.63 1.26 -1.04 -1.26 -4.98 114.28 104.81 1orm n THR 97 Ca 0.12 -1.02 -0.12 0.00 -2.04 0.00 0.00 64.05 61.00 1orm n THR 97 Cb 0.50 -5.87 0.03 0.00 -1.82 0.00 0.00 70.33 63.17 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 -2.79 1.54 -1.46 -1.42 4.19 -1.24 -5.11 117.16 110.87 1orm n TYR 98 Ca -0.05 -2.81 -0.41 0.00 3.31 0.00 0.00 57.90 57.94 1orm n TYR 98 Cb 0.59 -0.32 0.01 0.00 0.49 0.00 0.00 39.34 40.11 1orm n TYR 98 CO 0.00 0.00 0.00 0.36 0.91 0.00 0.00 176.86 178.13 1orm n LYS 99 N -0.16 0.58 -2.72 2.98 2.85 -1.26 -4.67 118.16 115.75 1orm n LYS 99 Ca 0.14 0.22 -0.28 0.00 -1.05 0.00 0.00 58.31 57.33 1orm n LYS 99 Cb 0.79 -1.56 -0.02 0.00 -0.65 0.00 0.00 35.03 33.59 1orm n LYS 99 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1orm n ASN 100 N 1.11 4.87 -4.16 -5.58 2.85 -1.26 -5.04 115.26 108.04 1orm n ASN 100 Ca 0.11 -3.71 -0.36 0.00 -0.11 0.00 0.00 54.58 50.51 1orm n ASN 100 Cb 0.42 -0.58 0.04 0.00 1.24 0.00 0.00 39.78 40.90 1orm n ASN 100 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1orm n ASP 101 N -0.33 -4.45 -4.27 1.20 2.03 -1.26 -4.77 116.55 104.71 1orm n ASP 101 Ca 0.36 0.36 -0.14 0.00 0.52 0.00 0.00 54.79 55.88 1orm n ASP 101 Cb 0.47 -0.89 -0.10 0.00 -0.72 0.00 0.00 41.12 39.88 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 -2.03 0.74 -0.35 5.18 -1.32 -1.26 -5.12 115.64 111.47 1orm s THR 102 Ca 0.49 -1.99 0.02 0.00 -1.21 0.00 0.00 61.69 59.00 1orm s THR 102 Cb -0.28 -2.21 0.10 0.00 -1.51 0.00 0.00 72.50 68.60 1orm s THR 102 CO 0.74 -0.40 0.08 -0.55 -2.21 0.00 0.00 174.62 172.28 1orm s SER 103 N -3.21 4.88 -0.30 8.08 0.15 -1.26 -4.96 113.70 117.07 1orm s SER 103 Ca 0.26 -2.11 -0.08 0.00 0.70 0.00 0.00 55.95 54.72 1orm s SER 103 Cb 0.06 -1.67 0.19 0.00 -1.71 0.00 0.00 66.02 62.88 1orm s SER 103 CO 0.06 -0.41 0.95 -1.81 1.20 0.00 0.00 173.24 173.22 1orm s ASP 104 N 1.12 -0.68 0.30 5.45 1.11 -1.26 -5.17 116.67 117.55 1orm s ASP 104 Ca 0.10 0.09 -0.02 0.00 0.18 0.00 0.00 52.55 52.91 1orm s ASP 104 Cb -0.20 1.44 -0.04 0.00 1.07 0.00 0.00 42.92 45.19 1orm s ASP 104 CO -0.07 -0.12 0.53 -0.72 1.18 0.00 0.00 175.17 175.96 1orm s TYR 105 N 2.93 3.49 0.00 4.23 -0.85 -1.26 -4.44 117.35 121.45 1orm s TYR 105 Ca 0.23 0.45 0.00 0.00 -0.52 0.00 0.00 57.07 57.23 1orm s TYR 105 Cb -0.04 -1.96 0.00 0.00 0.38 0.00 0.00 41.96 40.34 1orm s TYR 105 CO -0.23 0.18 0.00 0.41 -1.52 0.00 0.00 175.55 174.38 1orm n GLY 106 N -1.32 4.32 0.69 5.49 0.00 -1.24 -4.82 105.19 108.32 1orm n GLY 106 Ca -0.04 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.74 -2.09 -4.23 1.61 7.35 -1.26 -4.46 117.46 112.64 1orm n PHE 107 Ca 0.00 0.29 -0.18 0.00 -0.76 0.00 0.00 57.45 56.80 1orm n PHE 107 Cb 0.00 0.97 -0.13 0.00 0.35 0.00 0.00 39.48 40.67 1orm n PHE 107 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1orm s SER 108 N -1.52 1.43 -0.28 -2.13 0.01 -1.25 -2.65 113.70 107.32 1orm s SER 108 Ca 0.00 -0.50 -0.22 0.00 1.31 0.00 0.00 55.95 56.54 1orm s SER 108 Cb 0.00 -0.06 0.09 0.00 0.21 0.00 0.00 66.02 66.26 1orm s SER 108 CO 0.00 -0.04 0.78 -0.47 0.41 0.00 0.00 173.24 173.91 1orm s TYR 109 N -1.02 -0.80 0.00 2.43 5.04 -1.16 -4.29 117.35 117.55 1orm s TYR 109 Ca -0.02 1.82 0.00 0.00 -2.44 0.00 0.00 57.07 56.43 1orm s TYR 109 Cb -0.08 0.39 0.00 0.00 0.35 0.00 0.00 41.96 42.61 1orm s TYR 109 CO 0.01 -0.39 0.00 0.41 -1.34 0.00 0.00 175.55 174.24 1orm n GLY 110 N 3.11 0.66 3.64 8.97 0.00 -1.26 -4.82 105.19 115.48 1orm n GLY 110 Ca -0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.19 0.26 4.61 0.00 -1.26 -4.36 121.76 117.82 1orm s ALA 111 Ca 0.00 1.90 0.01 0.00 0.00 0.00 0.00 51.96 53.86 1orm s ALA 111 Cb 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1orm s ALA 111 CO 0.00 -0.52 0.44 0.20 0.00 0.00 0.00 175.76 175.88 1orm s GLY 112 N -1.92 1.53 -0.28 0.00 0.00 -1.26 -4.32 107.32 101.06 1orm s GLY 112 Ca 0.11 -0.93 -0.09 0.00 0.00 0.00 0.00 44.72 43.81 1orm s GLY 112 CO -0.03 -0.90 0.60 -2.27 0.00 0.00 0.00 173.10 170.50 1orm s LEU 113 N -3.78 -1.04 0.36 0.66 2.96 -1.12 -4.75 118.68 111.97 1orm s LEU 113 Ca 0.38 1.44 0.07 0.00 -0.22 0.00 0.00 54.13 55.80 1orm s LEU 113 Cb -0.10 2.09 -0.02 0.00 0.50 0.00 0.00 46.19 48.66 1orm s LEU 113 CO 0.31 -0.22 0.37 0.00 -1.32 0.00 0.00 176.35 175.49 1orm s GLN 114 N 2.84 2.75 0.25 1.98 1.03 -1.26 -2.49 119.66 124.74 1orm s GLN 114 Ca -0.05 -1.31 0.11 0.00 0.04 0.00 0.00 55.36 54.16 1orm s GLN 114 Cb -0.12 -2.53 -0.05 0.00 0.03 0.00 0.00 33.01 30.34 1orm s GLN 114 CO -0.18 -0.02 -0.16 0.12 -2.54 0.00 0.00 175.29 172.51 1orm s PHE 115 N -2.33 2.41 0.20 9.60 2.19 -1.26 -4.96 117.98 123.82 1orm s PHE 115 Ca 0.45 -0.30 -0.24 0.00 0.33 0.00 0.00 56.93 57.16 1orm s PHE 115 Cb -0.06 -1.10 -0.08 0.00 -1.31 0.00 0.00 43.02 40.47 1orm s PHE 115 CO 0.28 0.63 0.78 1.21 1.83 0.00 0.00 175.22 179.95 1orm s ASN 116 N -3.27 7.30 0.45 6.13 2.47 -1.26 -4.81 114.94 121.95 1orm s ASN 116 Ca 0.28 1.61 -0.22 0.00 0.42 0.00 0.00 52.86 54.95 1orm s ASN 116 Cb -0.06 -2.49 -0.09 0.00 -1.45 0.00 0.00 41.25 37.16 1orm s ASN 116 CO 0.15 0.13 1.04 -2.16 -3.72 0.00 0.00 177.10 172.54 1orm s PRO 117 N -1.47 3.96 -0.07 0.43 0.04 -1.26 -5.00 135.00 131.62 1orm s PRO 117 Ca 0.39 1.43 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 1orm s PRO 117 Cb -0.21 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 1orm s PRO 117 CO 0.25 -0.31 -0.22 -0.12 0.04 0.00 0.00 177.00 176.64 1orm n MET 118 N -0.58 0.33 0.00 4.56 1.56 -1.26 -5.01 117.12 116.72 1orm n MET 118 Ca 0.07 0.13 -0.00 0.00 -0.27 0.00 0.00 57.70 57.63 1orm n MET 118 Cb 0.51 -1.07 -0.00 0.00 2.15 0.00 0.00 33.22 34.81 1orm n MET 118 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1orm n GLU 119 N -4.08 0.00 -2.80 2.12 2.13 -1.26 -5.03 120.64 111.72 1orm n GLU 119 Ca -0.09 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.66 1orm n GLU 119 Cb 0.32 -0.07 0.02 0.00 0.27 0.00 0.00 31.44 31.98 1orm n GLU 119 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1orm n ASN 120 N -2.58 -3.02 -3.62 4.31 6.94 -1.26 -5.12 115.26 110.92 1orm n ASN 120 Ca -0.00 -3.03 -0.03 0.00 -0.02 0.00 0.00 54.58 51.50 1orm n ASN 120 Cb 0.00 1.61 -0.06 0.00 -2.36 0.00 0.00 39.78 38.97 1orm n ASN 120 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1orm s VAL 121 N 0.71 -0.09 -0.33 3.53 0.11 -1.26 -4.99 120.40 118.07 1orm s VAL 121 Ca 0.31 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.40 1orm s VAL 121 Cb 0.09 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 34.04 1orm s VAL 121 CO -0.13 0.00 0.04 0.00 -3.33 0.00 0.00 175.10 171.68 1orm s ALA 122 N 1.59 2.78 0.69 1.54 0.00 -0.87 -4.51 121.76 122.99 1orm s ALA 122 Ca -0.09 -2.42 0.02 0.00 0.00 0.00 0.00 51.96 49.48 1orm s ALA 122 Cb -0.05 -1.91 0.12 0.00 0.00 0.00 0.00 23.12 21.28 1orm s ALA 122 CO -0.17 -1.64 0.94 -0.48 0.00 0.00 0.00 175.76 174.41 1orm s LEU 123 N 0.96 3.00 -0.26 0.00 2.34 -1.26 -2.15 118.68 121.32 1orm s LEU 123 Ca 0.09 -0.54 -0.10 0.00 0.06 0.00 0.00 54.13 53.64 1orm s LEU 123 Cb -0.19 -1.82 0.10 0.00 -0.56 0.00 0.00 46.19 43.73 1orm s LEU 123 CO -0.09 -1.75 0.58 -0.62 -1.06 0.00 0.00 176.35 173.41 1orm s ASP 124 N -4.73 -0.82 -0.31 1.48 -1.08 -1.26 -4.42 116.67 105.51 1orm s ASP 124 Ca 0.65 1.35 -0.05 0.00 -0.52 0.00 0.00 52.55 53.99 1orm s ASP 124 Cb -0.05 1.72 0.04 0.00 -1.46 0.00 0.00 42.92 43.17 1orm s ASP 124 CO 0.43 -0.22 0.05 0.12 0.52 0.00 0.00 175.17 176.07 1orm s PHE 125 N 2.41 3.23 0.35 -5.34 2.19 -1.04 -4.18 117.98 115.61 1orm s PHE 125 Ca -0.06 -1.53 0.03 0.00 0.33 0.00 0.00 56.93 55.70 1orm s PHE 125 Cb -0.10 -2.20 -0.05 0.00 -1.31 0.00 0.00 43.02 39.36 1orm s PHE 125 CO -0.17 -0.74 0.09 0.45 1.83 0.00 0.00 175.22 176.68 1orm s SER 126 N 1.36 2.47 -0.35 6.13 0.15 -1.26 -2.80 113.70 119.41 1orm s SER 126 Ca -0.02 -1.49 -0.06 0.00 0.70 0.00 0.00 55.95 55.08 1orm s SER 126 Cb -0.19 0.17 0.05 0.00 -1.71 0.00 0.00 66.02 64.34 1orm s SER 126 CO 0.01 -0.74 0.11 -0.47 1.20 0.00 0.00 173.24 173.35 1orm s TYR 127 N -3.29 3.29 -0.74 3.44 6.14 -1.26 -4.72 117.35 120.21 1orm s TYR 127 Ca 0.31 -1.60 -0.11 0.00 0.64 0.00 0.00 57.07 56.31 1orm s TYR 127 Cb 0.06 -2.40 0.19 0.00 0.42 0.00 0.00 41.96 40.24 1orm s TYR 127 CO 0.15 -0.78 0.65 -1.21 0.64 0.00 0.00 175.55 175.00 1orm s GLU 128 N 1.36 3.26 -0.22 4.97 0.41 -1.26 -4.14 118.70 123.08 1orm s GLU 128 Ca -0.01 -2.38 -0.27 0.00 -0.41 0.00 0.00 54.97 51.89 1orm s GLU 128 Cb -0.20 -4.23 0.12 0.00 -1.78 0.00 0.00 34.13 28.03 1orm s GLU 128 CO 0.01 -1.26 0.98 -1.14 -0.49 0.00 0.00 175.26 173.36 1orm s GLN 129 N 0.29 0.59 0.96 1.61 0.74 -1.15 -4.19 119.66 118.51 1orm s GLN 129 Ca 0.16 0.43 -0.15 0.00 0.05 0.00 0.00 55.36 55.85 1orm s GLN 129 Cb -0.15 0.29 0.21 0.00 1.10 0.00 0.00 33.01 34.46 1orm s GLN 129 CO -0.06 -0.13 1.31 -1.54 -0.55 0.00 0.00 175.29 174.32 1orm s SER 130 N -0.35 3.01 -0.15 6.67 1.04 -1.09 -2.99 113.70 119.85 1orm s SER 130 Ca 0.00 0.07 0.20 0.00 0.48 0.00 0.00 55.95 56.70 1orm s SER 130 Cb -0.03 -0.06 0.42 0.00 0.10 0.00 0.00 66.02 66.45 1orm s SER 130 CO -0.02 -2.78 1.17 -1.14 0.98 0.00 0.00 173.24 171.46 1orm n ARG 131 N -3.73 0.90 -1.79 4.02 0.00 -1.26 -4.84 116.66 109.96 1orm n ARG 131 Ca 0.17 -2.44 -0.25 0.00 -0.00 0.00 0.00 57.85 55.34 1orm n ARG 131 Cb 0.59 -0.58 0.05 0.00 0.00 0.00 0.00 32.46 32.52 1orm n ARG 131 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 1orm n ILE 132 N -0.28 2.75 -3.96 5.15 -5.35 -1.26 -4.94 119.36 111.47 1orm n ILE 132 Ca -0.00 -3.87 -0.25 0.00 -0.27 0.00 0.00 62.75 58.36 1orm n ILE 132 Cb 0.92 -1.08 -0.08 0.00 -1.74 0.00 0.00 39.64 37.66 1orm n ILE 132 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1orm n ARG 133 N -0.78 -0.93 0.00 6.28 3.00 -1.26 -4.63 116.66 118.34 1orm n ARG 133 Ca 0.47 0.07 0.00 0.00 -0.00 0.00 0.00 57.85 58.38 1orm n ARG 133 Cb 0.90 -2.83 0.00 0.00 0.00 0.00 0.00 32.46 30.54 1orm n ARG 133 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1orm n SER 134 N -2.23 0.00 -4.80 6.15 2.88 -1.26 -5.11 113.62 109.25 1orm n SER 134 Ca -0.26 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 56.92 1orm n SER 134 Cb 0.56 0.15 -0.06 0.00 -0.75 0.00 0.00 64.21 64.10 1orm n SER 134 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1orm s VAL 135 N -0.79 4.44 -0.48 2.46 1.01 -1.26 -4.49 120.40 121.29 1orm s VAL 135 Ca 0.00 1.48 0.06 0.00 0.00 0.00 0.00 61.98 63.53 1orm s VAL 135 Cb 0.00 -3.91 0.23 0.00 0.00 0.00 0.00 36.38 32.69 1orm s VAL 135 CO 0.00 0.19 0.76 -0.67 0.00 0.00 0.00 175.10 175.38 1orm n ASP 136 N 0.67 -2.41 -4.80 3.32 2.03 -1.26 -3.86 116.55 110.24 1orm n ASP 136 Ca -0.01 -3.06 -0.36 0.00 0.52 0.00 0.00 54.79 51.87 1orm n ASP 136 Cb 0.51 1.29 -0.06 0.00 -0.72 0.00 0.00 41.12 42.13 1orm n ASP 136 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1orm s VAL 137 N 0.41 4.36 0.09 5.18 1.01 -1.26 -4.38 120.40 125.81 1orm s VAL 137 Ca 0.32 1.60 -0.30 0.00 0.00 0.00 0.00 61.98 63.60 1orm s VAL 137 Cb 0.16 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1orm s VAL 137 CO -0.18 0.13 1.00 -0.83 0.00 0.00 0.00 175.10 175.23 1orm s GLY 138 N -1.67 2.92 -0.48 4.51 0.00 -1.26 -4.32 107.32 107.02 1orm s GLY 138 Ca 0.48 0.62 -0.25 0.00 0.00 0.00 0.00 44.72 45.57 1orm s GLY 138 CO 0.22 1.58 0.92 -1.08 0.00 0.00 0.00 173.10 174.74 1orm s THR 139 N 0.27 4.47 -0.35 0.90 -1.32 -1.26 -4.23 115.64 114.12 1orm s THR 139 Ca 0.49 0.65 0.15 0.00 -1.21 0.00 0.00 61.69 61.77 1orm s THR 139 Cb -0.24 -4.44 0.41 0.00 -1.51 0.00 0.00 72.50 66.72 1orm s THR 139 CO 0.30 -0.87 0.88 1.87 -2.21 0.00 0.00 174.62 174.58 1orm n TRP 140 N 7.19 0.98 -2.48 9.09 -0.00 -1.26 -4.98 117.44 125.99 1orm n TRP 140 Ca 0.05 -3.22 -0.40 0.00 -0.00 0.00 0.00 57.50 53.93 1orm n TRP 140 Cb 0.48 -0.38 -0.04 0.00 -0.00 0.00 0.00 31.31 31.37 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 -3.02 3.52 -0.30 5.87 -1.09 -1.20 -4.67 121.20 120.32 1orm s ILE 141 Ca 0.33 1.50 -0.17 0.00 -2.23 0.00 0.00 60.65 60.09 1orm s ILE 141 Cb 0.41 -3.96 0.18 0.00 -1.58 0.00 0.00 42.46 37.51 1orm s ILE 141 CO -0.02 0.35 1.20 0.00 -1.23 0.00 0.00 174.94 175.24 1orm s ALA 142 N -1.04 -4.44 0.14 9.38 0.00 -1.26 -4.80 121.76 119.74 1orm s ALA 142 Ca 0.45 1.41 0.06 0.00 0.00 0.00 0.00 51.96 53.87 1orm s ALA 142 Cb -0.32 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 1orm s ALA 142 CO 0.40 -2.04 -0.13 0.20 0.00 0.00 0.00 175.76 174.19 1orm s GLY 143 N 3.00 1.11 -0.40 0.00 0.00 -1.26 -4.65 107.32 105.12 1orm s GLY 143 Ca 0.24 -1.39 -0.15 0.00 0.00 0.00 0.00 44.72 43.42 1orm s GLY 143 CO -0.19 -1.46 0.31 -1.34 0.00 0.00 0.00 173.10 170.42 1orm s VAL 144 N -2.56 5.24 0.03 1.40 -7.23 -1.26 -4.08 120.40 111.94 1orm s VAL 144 Ca 0.12 -0.54 0.03 0.00 -1.81 0.00 0.00 61.98 59.78 1orm s VAL 144 Cb -0.02 -3.91 -0.04 0.00 0.56 0.00 0.00 36.38 32.97 1orm s VAL 144 CO 0.03 -0.27 -0.02 -0.83 -0.31 0.00 0.00 175.10 173.70 1orm s GLY 145 N 1.70 1.86 0.07 2.32 0.00 -0.92 -4.38 107.32 107.99 1orm s GLY 145 Ca 0.06 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.76 1orm s GLY 145 CO 0.11 -0.93 0.04 2.98 0.00 0.00 0.00 173.10 175.30 1orm n TYR 146 N 1.14 -1.07 -4.21 1.90 9.36 -1.26 -2.06 117.16 120.97 1orm n TYR 146 Ca -0.13 -0.32 -0.34 0.00 3.32 0.00 0.00 57.90 60.43 1orm n TYR 146 Cb 0.52 -0.06 -0.14 0.00 -0.63 0.00 0.00 39.34 39.03 1orm n TYR 146 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1orm s ARG 147 N -2.29 3.34 0.00 2.98 3.00 -1.26 -4.69 118.95 120.03 1orm s ARG 147 Ca 0.03 -0.67 0.00 0.00 0.00 0.00 0.00 55.73 55.10 1orm s ARG 147 Cb -0.00 -2.84 0.00 0.00 0.00 0.00 0.00 34.95 32.11 1orm s ARG 147 CO 0.02 -0.06 0.00 0.34 0.00 0.00 0.00 175.30 175.60