#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 -2.67 0.00 -2.24 -1.24 -4.43 114.28 103.69 1orm n THR 2 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1orm n THR 2 Cb 0.00 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.29 1orm n THR 2 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1orm n SER 3 N -3.08 -1.47 -4.73 3.42 2.88 -1.26 -5.01 113.62 104.36 1orm n SER 3 Ca 0.00 -1.50 -0.36 0.00 -1.33 0.00 0.00 58.87 55.68 1orm n SER 3 Cb 0.00 0.78 -0.07 0.00 -0.75 0.00 0.00 64.21 64.17 1orm n SER 3 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1orm s THR 4 N 0.53 5.34 -0.44 2.46 2.01 -1.26 -3.45 115.64 120.83 1orm s THR 4 Ca 0.25 0.43 -0.10 0.00 0.31 0.00 0.00 61.69 62.58 1orm s THR 4 Cb 0.17 -3.57 0.09 0.00 0.01 0.00 0.00 72.50 69.20 1orm s THR 4 CO -0.10 0.41 0.30 -0.69 -0.69 0.00 0.00 174.62 173.85 1orm s VAL 5 N 0.37 4.30 -0.28 3.82 1.01 -1.23 -4.84 120.40 123.56 1orm s VAL 5 Ca 0.14 -1.51 -0.04 0.00 0.00 0.00 0.00 61.98 60.58 1orm s VAL 5 Cb -0.12 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.59 1orm s VAL 5 CO 0.02 -0.60 0.00 -0.89 0.00 0.00 0.00 175.10 173.63 1orm s THR 6 N 1.42 3.29 -0.11 3.92 2.01 -1.26 -3.97 115.64 120.94 1orm s THR 6 Ca 0.04 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.07 1orm s THR 6 Cb -0.24 -2.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.53 1orm s THR 6 CO 0.01 0.09 -0.15 -0.83 -0.69 0.00 0.00 174.62 173.06 1orm s GLY 7 N 1.37 1.51 -0.03 4.40 0.00 -1.26 -4.55 107.32 108.76 1orm s GLY 7 Ca 0.00 -0.92 -0.27 0.00 0.00 0.00 0.00 44.72 43.52 1orm s GLY 7 CO -0.01 -0.35 0.60 -0.32 0.00 0.00 0.00 173.10 173.02 1orm s GLY 8 N 0.10 -0.49 -0.01 0.20 0.00 -1.26 -3.57 107.32 102.27 1orm s GLY 8 Ca -0.07 1.08 -0.17 0.00 0.00 0.00 0.00 44.72 45.56 1orm s GLY 8 CO 0.05 0.75 0.48 -0.19 0.00 0.00 0.00 173.10 174.19 1orm s TYR 9 N -1.34 3.69 -0.27 1.90 2.02 -1.26 -4.59 117.35 117.50 1orm s TYR 9 Ca -0.11 1.05 -0.06 0.00 -0.37 0.00 0.00 57.07 57.58 1orm s TYR 9 Cb -0.01 -2.44 -0.00 0.00 -0.40 0.00 0.00 41.96 39.11 1orm s TYR 9 CO 0.08 0.48 0.05 0.00 -1.57 0.00 0.00 175.55 174.59 1orm s ALA 10 N -0.56 3.03 -0.29 3.71 0.00 -1.26 -4.52 121.76 121.86 1orm s ALA 10 Ca 0.26 -1.31 -0.16 0.00 0.00 0.00 0.00 51.96 50.76 1orm s ALA 10 Cb -0.17 -2.02 0.16 0.00 0.00 0.00 0.00 23.12 21.09 1orm s ALA 10 CO 0.14 -0.70 1.03 1.14 0.00 0.00 0.00 175.76 177.37 1orm s GLN 11 N 1.52 0.29 0.00 0.00 -2.07 -1.26 -4.29 119.66 113.85 1orm s GLN 11 Ca 0.04 0.59 0.00 0.00 -1.82 0.00 0.00 55.36 54.17 1orm s GLN 11 Cb -0.16 0.20 0.00 0.00 -1.09 0.00 0.00 33.01 31.96 1orm s GLN 11 CO 0.01 -0.08 0.00 0.45 -1.32 0.00 0.00 175.29 174.36 1orm n SER 12 N 4.14 0.00 -4.86 12.60 2.88 -1.26 -4.54 113.62 122.58 1orm n SER 12 Ca -0.14 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.08 1orm n SER 12 Cb 0.55 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.97 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 -4.00 6.64 -0.24 -3.46 -0.00 -1.26 -4.86 116.67 109.48 1orm s ASP 13 Ca 0.00 1.23 -0.28 0.00 -0.00 0.00 0.00 52.55 53.50 1orm s ASP 13 Cb 0.00 -2.36 0.15 0.00 -0.00 0.00 0.00 42.92 40.72 1orm s ASP 13 CO 0.00 -0.33 1.17 0.00 -0.00 0.00 0.00 175.17 176.01 1orm s ALA 14 N -2.22 -2.04 -0.87 5.23 0.00 -1.25 -1.58 121.76 119.03 1orm s ALA 14 Ca 0.53 1.74 -0.34 0.00 0.00 0.00 0.00 51.96 53.89 1orm s ALA 14 Cb -0.10 -1.25 -0.21 0.00 0.00 0.00 0.00 23.12 21.56 1orm s ALA 14 CO 0.25 -0.24 2.57 1.04 0.00 0.00 0.00 175.76 179.38 1orm n GLN 15 N 1.16 0.04 0.00 0.00 1.13 -1.23 -3.35 117.38 115.13 1orm n GLN 15 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 1orm n GLN 15 Cb 0.57 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 29.36 1orm n GLN 15 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1orm n GLY 16 N 6.70 0.34 1.66 1.08 0.00 -1.26 -5.06 105.19 108.65 1orm n GLY 16 Ca 0.63 -0.02 -0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -0.21 -2.00 1.61 0.00 -1.21 -4.85 117.38 110.71 1orm n GLN 17 Ca 0.00 0.65 -0.02 0.00 -0.00 0.00 0.00 57.00 57.63 1orm n GLN 17 Cb 0.00 -1.97 -0.02 0.00 0.00 0.00 0.00 30.24 28.25 1orm n GLN 17 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1orm n MET 18 N -0.78 -1.96 -3.73 3.69 2.81 -1.26 -5.07 117.12 110.82 1orm n MET 18 Ca 0.01 1.77 -0.12 0.00 -1.81 0.00 0.00 57.70 57.54 1orm n MET 18 Cb 0.28 -2.87 -0.11 0.00 -0.71 0.00 0.00 33.22 29.81 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 -0.40 -0.40 -0.74 7.83 -0.87 -1.26 -4.95 114.94 114.14 1orm s ASN 19 Ca -0.10 0.74 -0.24 0.00 -1.57 0.00 0.00 52.86 51.69 1orm s ASN 19 Cb 0.01 0.69 0.05 0.00 -0.02 0.00 0.00 41.25 41.98 1orm s ASN 19 CO 0.36 -0.15 1.15 -0.75 -2.57 0.00 0.00 177.10 175.13 1orm s LYS 20 N 0.76 3.21 -0.71 -0.60 2.20 -1.24 -4.88 119.74 118.47 1orm s LYS 20 Ca -0.05 -0.66 -0.11 0.00 -0.36 0.00 0.00 55.97 54.80 1orm s LYS 20 Cb -0.06 -4.34 0.19 0.00 -1.51 0.00 0.00 37.83 32.11 1orm s LYS 20 CO -0.05 -1.99 0.62 1.41 -0.36 0.00 0.00 175.35 174.98 1orm s MET 21 N 4.78 3.19 -0.39 4.03 1.75 -1.26 -4.32 119.30 127.07 1orm s MET 21 Ca 0.30 -2.33 -0.11 0.00 -1.25 0.00 0.00 55.69 52.30 1orm s MET 21 Cb -0.11 -4.21 0.04 0.00 2.84 0.00 0.00 34.83 33.39 1orm s MET 21 CO 0.09 -1.26 0.24 0.20 -0.65 0.00 0.00 175.02 173.64 1orm s GLY 22 N 2.03 1.95 0.23 2.11 0.00 -1.26 -4.14 107.32 108.24 1orm s GLY 22 Ca 0.15 -1.82 0.01 0.00 0.00 0.00 0.00 44.72 43.05 1orm s GLY 22 CO -0.06 0.89 0.08 -0.32 0.00 0.00 0.00 173.10 173.70 1orm s GLY 23 N 1.73 1.55 -0.03 0.20 0.00 -1.26 -4.55 107.32 104.96 1orm s GLY 23 Ca 0.02 -1.77 0.03 0.00 0.00 0.00 0.00 44.72 43.01 1orm s GLY 23 CO 0.06 -1.53 -0.11 -1.36 0.00 0.00 0.00 173.10 170.15 1orm s PHE 24 N -3.83 1.19 0.03 1.90 0.40 -1.26 -4.09 117.98 112.31 1orm s PHE 24 Ca 0.35 -0.33 -0.23 0.00 -0.60 0.00 0.00 56.93 56.13 1orm s PHE 24 Cb 0.07 -0.84 -0.05 0.00 0.51 0.00 0.00 43.02 42.71 1orm s PHE 24 CO 0.11 -0.13 0.68 0.54 0.70 0.00 0.00 175.22 177.12 1orm s ASN 25 N 0.21 7.10 -0.39 1.36 2.20 -1.26 -4.26 114.94 119.91 1orm s ASN 25 Ca -0.04 1.32 0.12 0.00 -0.94 0.00 0.00 52.86 53.32 1orm s ASN 25 Cb -0.10 -2.42 0.39 0.00 -2.00 0.00 0.00 41.25 37.12 1orm s ASN 25 CO 0.01 0.06 0.85 0.18 -2.94 0.00 0.00 177.10 175.26 1orm n LEU 26 N 2.72 1.72 -4.76 3.54 4.77 -1.25 -4.65 117.00 119.08 1orm n LEU 26 Ca -0.05 -4.72 -0.41 0.00 -0.03 0.00 0.00 56.01 50.80 1orm n LEU 26 Cb 0.51 0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 41.97 1orm n LEU 26 CO 0.45 2.08 1.01 -0.54 -1.33 0.00 0.00 177.39 179.06 1orm s LYS 27 N -2.84 4.33 -0.19 3.23 1.02 -1.26 -4.54 119.74 119.50 1orm s LYS 27 Ca 0.38 2.24 0.01 0.00 0.02 0.00 0.00 55.97 58.62 1orm s LYS 27 Cb 0.38 -3.08 0.03 0.00 -0.52 0.00 0.00 37.83 34.64 1orm s LYS 27 CO -0.06 -0.25 -0.18 0.71 -0.92 0.00 0.00 175.35 174.65 1orm s TYR 28 N -0.90 2.77 0.54 3.18 1.51 -1.26 -4.72 117.35 118.47 1orm s TYR 28 Ca 0.51 -1.69 -0.06 0.00 -1.01 0.00 0.00 57.07 54.82 1orm s TYR 28 Cb -0.40 -1.88 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 1orm s TYR 28 CO 0.51 -0.80 0.86 1.03 -1.11 0.00 0.00 175.55 176.04 1orm s ARG 29 N 1.29 3.33 -0.07 -0.62 0.52 -1.26 -4.63 118.95 117.51 1orm s ARG 29 Ca 0.03 0.21 -0.01 0.00 -0.52 0.00 0.00 55.73 55.44 1orm s ARG 29 Cb -0.14 -2.30 -0.03 0.00 0.52 0.00 0.00 34.95 33.00 1orm s ARG 29 CO -0.12 -0.43 -0.02 -0.47 0.02 0.00 0.00 175.30 174.28 1orm s TYR 30 N -2.89 3.08 0.51 -0.53 5.04 -1.26 -3.61 117.35 117.68 1orm s TYR 30 Ca 0.51 0.13 -0.16 0.00 -2.44 0.00 0.00 57.07 55.10 1orm s TYR 30 Cb -0.10 -1.75 -0.08 0.00 0.35 0.00 0.00 41.96 40.38 1orm s TYR 30 CO 0.46 0.42 0.97 -1.83 -1.34 0.00 0.00 175.55 174.23 1orm s GLU 31 N -0.89 3.92 -0.19 4.97 -1.05 -1.26 -4.81 118.70 119.39 1orm s GLU 31 Ca 0.13 0.91 -0.15 0.00 -0.15 0.00 0.00 54.97 55.71 1orm s GLU 31 Cb -0.11 -2.15 0.05 0.00 -0.44 0.00 0.00 34.13 31.48 1orm s GLU 31 CO 0.02 -0.27 0.49 -1.83 0.95 0.00 0.00 175.26 174.63 1orm s GLU 32 N -4.10 0.55 0.22 -4.83 4.04 -1.26 -5.01 118.70 108.31 1orm s GLU 32 Ca 0.58 0.77 -0.06 0.00 0.04 0.00 0.00 54.97 56.30 1orm s GLU 32 Cb -0.10 0.19 0.20 0.00 0.02 0.00 0.00 34.13 34.44 1orm s GLU 32 CO 0.32 -0.10 1.71 0.38 -1.84 0.00 0.00 175.26 175.74 1orm h ASP 33 N 5.95 0.94 0.00 0.83 2.03 -2.03 -3.41 116.42 120.74 1orm h ASP 33 Ca -0.30 -0.23 0.00 0.00 -0.73 0.00 0.00 57.03 55.77 1orm h ASP 33 Cb 1.18 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 39.43 1orm h ASP 33 CO 0.21 0.97 0.00 -3.20 -1.03 0.00 0.00 179.24 176.19 1orm n ASN 34 N -4.21 0.00 -3.82 4.15 2.85 -1.26 -5.14 115.26 107.82 1orm n ASN 34 Ca 0.04 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.32 1orm n ASN 34 Cb 0.30 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.16 1orm n ASN 34 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1orm s SER 35 N 0.00 0.79 -0.47 1.20 0.15 -1.26 -5.10 113.70 109.00 1orm s SER 35 Ca 0.00 -0.06 -0.28 0.00 0.70 0.00 0.00 55.95 56.31 1orm s SER 35 Cb 0.00 -0.31 0.01 0.00 -1.71 0.00 0.00 66.02 64.01 1orm s SER 35 CO 0.00 -0.11 1.45 -2.16 1.20 0.00 0.00 173.24 173.61 1orm s PRO 36 N 1.21 3.42 -0.44 5.44 0.04 -1.26 -4.74 135.00 138.67 1orm s PRO 36 Ca -0.07 0.76 0.03 0.00 0.04 0.00 0.00 61.00 61.76 1orm s PRO 36 Cb -0.13 -4.08 0.25 0.00 0.04 0.00 0.00 34.50 30.57 1orm s PRO 36 CO -0.02 -1.77 0.99 -0.11 0.04 0.00 0.00 177.00 176.13 1orm n LEU 37 N 9.33 -2.41 -4.20 -3.56 7.94 -1.26 -5.02 117.00 117.81 1orm n LEU 37 Ca 0.15 -2.74 -0.34 0.00 -1.11 0.00 0.00 56.01 51.97 1orm n LEU 37 Cb 0.49 0.74 -0.15 0.00 0.53 0.00 0.00 43.42 45.03 1orm n LEU 37 CO 0.71 1.84 -0.43 -0.83 -1.11 0.00 0.00 177.39 177.56 1orm s GLY 38 N -1.01 1.56 0.05 -3.96 0.00 -1.26 -4.85 107.32 97.85 1orm s GLY 38 Ca 0.30 -1.34 0.01 0.00 0.00 0.00 0.00 44.72 43.69 1orm s GLY 38 CO -0.18 0.44 -0.05 0.54 0.00 0.00 0.00 173.10 173.85 1orm s VAL 39 N 1.35 0.36 -0.04 1.40 0.11 -1.26 -3.83 120.40 118.49 1orm s VAL 39 Ca 0.02 -1.32 -0.29 0.00 -2.93 0.00 0.00 61.98 57.46 1orm s VAL 39 Cb -0.15 -0.86 0.10 0.00 -1.53 0.00 0.00 36.38 33.93 1orm s VAL 39 CO -0.06 -0.63 1.31 -0.51 -3.33 0.00 0.00 175.10 171.87 1orm s ILE 40 N -2.31 0.00 0.00 7.04 1.10 -1.26 -4.70 121.20 121.07 1orm s ILE 40 Ca -0.05 -0.12 0.00 0.00 -0.51 0.00 0.00 60.65 59.97 1orm s ILE 40 Cb -0.04 -2.96 0.00 0.00 0.15 0.00 0.00 42.46 39.61 1orm s ILE 40 CO -0.03 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.41 1orm n GLY 41 N -0.93 2.62 3.55 1.50 0.00 -1.26 -4.16 105.19 106.51 1orm n GLY 41 Ca 0.05 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.09 1orm n GLY 41 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1orm s SER 42 N 0.17 -0.67 -0.29 1.61 0.15 -1.26 -4.75 113.70 108.66 1orm s SER 42 Ca 0.00 1.22 -0.07 0.00 0.70 0.00 0.00 55.95 57.80 1orm s SER 42 Cb 0.00 1.22 0.01 0.00 -1.71 0.00 0.00 66.02 65.53 1orm s SER 42 CO 0.00 -0.28 0.08 0.12 1.20 0.00 0.00 173.24 174.36 1orm s PHE 43 N 0.12 3.15 0.52 3.44 2.19 -1.26 -2.28 117.98 123.86 1orm s PHE 43 Ca -0.02 -0.98 0.00 0.00 0.33 0.00 0.00 56.93 56.27 1orm s PHE 43 Cb -0.04 -2.25 -0.00 0.00 -1.31 0.00 0.00 43.02 39.42 1orm s PHE 43 CO 0.02 -0.57 0.00 0.25 1.83 0.00 0.00 175.22 176.75 1orm n THR 44 N 4.86 0.00 -3.08 0.12 -2.24 -1.26 -3.90 114.28 108.79 1orm n THR 44 Ca -0.15 -2.49 0.04 0.00 -2.27 0.00 0.00 64.05 59.19 1orm n THR 44 Cb 0.48 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1orm n THR 44 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1orm s TYR 45 N -2.91 -0.75 0.35 4.78 2.02 -1.26 -4.75 117.35 114.84 1orm s TYR 45 Ca 0.01 0.36 -0.20 0.00 -0.37 0.00 0.00 57.07 56.87 1orm s TYR 45 Cb 0.00 0.13 -0.10 0.00 -0.40 0.00 0.00 41.96 41.59 1orm s TYR 45 CO 0.00 -0.45 0.85 0.99 -1.57 0.00 0.00 175.55 175.38 1orm s THR 46 N 2.68 4.47 -2.16 -0.71 2.01 -1.26 -4.06 115.64 116.61 1orm s THR 46 Ca 0.22 1.35 0.00 0.00 0.31 0.00 0.00 61.69 63.57 1orm s THR 46 Cb -0.02 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.79 1orm s THR 46 CO -0.21 -0.14 0.00 -0.62 -0.69 0.00 0.00 174.62 172.96 1orm n GLU 47 N -0.20 -3.40 -1.96 4.92 1.02 -1.26 -4.75 120.64 115.02 1orm n GLU 47 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1orm n GLU 47 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 1orm n GLU 47 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1orm n LYS 48 N -0.42 -4.10 0.03 3.49 4.81 -1.26 -4.11 118.16 116.60 1orm n LYS 48 Ca 0.00 3.07 0.00 0.00 -0.87 0.00 0.00 58.31 60.51 1orm n LYS 48 Cb 0.00 -3.65 0.00 0.00 0.02 0.00 0.00 35.03 31.40 1orm n LYS 48 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1orm n SER 49 N 1.43 -0.56 -2.75 3.14 2.88 -1.26 -3.70 113.62 112.79 1orm n SER 49 Ca 0.00 0.41 -0.09 0.00 -1.33 0.00 0.00 58.87 57.86 1orm n SER 49 Cb 0.00 0.84 -0.02 0.00 -0.75 0.00 0.00 64.21 64.28 1orm n SER 49 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1orm n ARG 50 N -2.67 -2.35 -2.91 -1.46 1.85 -1.26 -4.73 116.66 103.12 1orm n ARG 50 Ca 0.00 0.03 -0.14 0.00 -1.00 0.00 0.00 57.85 56.74 1orm n ARG 50 Cb 0.00 -4.13 0.01 0.00 -1.05 0.00 0.00 32.46 27.29 1orm n ARG 50 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 1orm n THR 51 N -2.59 -0.25 0.00 8.89 5.66 -1.26 -4.89 114.28 119.83 1orm n THR 51 Ca 0.02 -2.37 0.00 0.00 -3.05 0.00 0.00 64.05 58.66 1orm n THR 51 Cb 0.44 0.28 0.00 0.00 -1.55 0.00 0.00 70.33 69.50 1orm n THR 51 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1orm n ALA 52 N 1.60 0.00 -2.21 1.79 0.00 -1.26 -4.90 120.51 115.53 1orm n ALA 52 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.57 1orm n ALA 52 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.32 0.15 -1.17 0.00 2.88 -1.26 -5.01 113.62 108.90 1orm n SER 53 Ca 0.00 -1.88 0.00 0.00 -1.33 0.00 0.00 58.87 55.66 1orm n SER 53 Cb 0.00 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 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 0.21 -1.56 0.07 -3.46 2.88 -1.26 -5.05 113.62 105.45 1orm n SER 54 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1orm n SER 54 Cb 0.87 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 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 -0.98 -0.23 0.59 0.46 0.00 -1.26 -5.08 105.19 98.69 1orm n GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.99 0.00 -2.26 1.61 8.00 -1.26 -4.91 116.55 114.73 1orm n ASP 56 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 1orm n ASP 56 Cb 0.00 0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 1orm n ASP 56 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1orm n TYR 57 N -1.49 -1.04 -5.11 1.24 4.01 -1.26 -4.63 117.16 108.87 1orm n TYR 57 Ca 0.00 -1.50 -0.32 0.00 -0.16 0.00 0.00 57.90 55.92 1orm n TYR 57 Cb 0.00 0.34 -0.16 0.00 -0.31 0.00 0.00 39.34 39.21 1orm n TYR 57 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1orm s ASN 58 N -2.37 3.32 -0.27 7.72 -0.87 -1.26 -4.22 114.94 116.99 1orm s ASN 58 Ca 0.19 -0.50 -0.08 0.00 -1.57 0.00 0.00 52.86 50.90 1orm s ASN 58 Cb -0.01 -1.42 -0.02 0.00 -0.02 0.00 0.00 41.25 39.78 1orm s ASN 58 CO 0.13 0.17 0.10 -0.75 -2.57 0.00 0.00 177.10 174.18 1orm s LYS 59 N 0.30 3.55 -0.30 -0.60 2.20 -1.21 -4.96 119.74 118.72 1orm s LYS 59 Ca -0.16 -0.56 -0.13 0.00 -0.36 0.00 0.00 55.97 54.76 1orm s LYS 59 Cb -0.17 -3.40 0.18 0.00 -1.51 0.00 0.00 37.83 32.93 1orm s LYS 59 CO 0.08 -0.26 1.12 1.21 -0.36 0.00 0.00 175.35 177.14 1orm s ASN 60 N 1.61 -0.17 -0.08 1.43 2.47 -1.26 -4.26 114.94 114.68 1orm s ASN 60 Ca 0.06 -0.02 -0.03 0.00 0.42 0.00 0.00 52.86 53.28 1orm s ASN 60 Cb -0.16 0.74 0.04 0.00 -1.45 0.00 0.00 41.25 40.43 1orm s ASN 60 CO 0.05 -0.03 0.15 0.00 -3.72 0.00 0.00 177.10 173.54 1orm s GLN 61 N 2.57 0.03 0.11 0.43 -2.07 -1.26 -4.40 119.66 115.07 1orm s GLN 61 Ca 0.24 0.52 -0.26 0.00 -1.82 0.00 0.00 55.36 54.04 1orm s GLN 61 Cb 0.02 -0.29 0.08 0.00 -1.09 0.00 0.00 33.01 31.72 1orm s GLN 61 CO -0.20 -0.29 0.87 0.71 -1.32 0.00 0.00 175.29 175.06 1orm s TYR 62 N 2.13 -0.26 0.05 9.60 2.02 -1.26 -5.02 117.35 124.61 1orm s TYR 62 Ca 0.02 0.02 -0.09 0.00 -0.37 0.00 0.00 57.07 56.64 1orm s TYR 62 Cb -0.12 0.60 0.00 0.00 -0.40 0.00 0.00 41.96 42.04 1orm s TYR 62 CO -0.05 -0.76 0.19 1.52 -1.57 0.00 0.00 175.55 174.88 1orm s TYR 63 N -3.33 0.08 0.00 2.71 -0.85 -1.26 -4.39 117.35 110.30 1orm s TYR 63 Ca 0.08 -0.36 0.00 0.00 -0.52 0.00 0.00 57.07 56.28 1orm s TYR 63 Cb -0.02 -0.04 0.00 0.00 0.38 0.00 0.00 41.96 42.29 1orm s TYR 63 CO -0.03 -0.46 0.00 0.41 -1.52 0.00 0.00 175.55 173.95 1orm n GLY 64 N 0.49 0.41 2.73 5.49 0.00 -0.97 -4.72 105.19 108.63 1orm n GLY 64 Ca -0.18 -0.94 -0.02 0.00 0.00 0.00 0.00 46.02 44.88 1orm n GLY 64 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1orm n ILE 65 N 2.32 0.51 -3.53 -0.61 -5.35 -1.26 -1.69 119.36 109.74 1orm n ILE 65 Ca 0.00 -1.87 -0.17 0.00 -0.27 0.00 0.00 62.75 60.45 1orm n ILE 65 Cb 0.00 1.08 -0.06 0.00 -1.74 0.00 0.00 39.64 38.92 1orm n ILE 65 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1orm s THR 66 N -1.45 0.01 -0.31 7.28 2.01 -1.26 -4.05 115.64 117.88 1orm s THR 66 Ca 0.18 -0.05 -0.11 0.00 0.31 0.00 0.00 61.69 62.02 1orm s THR 66 Cb 0.40 -0.97 0.20 0.00 0.01 0.00 0.00 72.50 72.14 1orm s THR 66 CO -0.08 -0.03 1.13 0.00 -0.69 0.00 0.00 174.62 174.94 1orm s ALA 67 N -1.55 -4.79 0.00 7.40 0.00 -0.19 -4.51 121.76 118.12 1orm s ALA 67 Ca -0.10 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1orm s ALA 67 Cb -0.01 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1orm s ALA 67 CO 0.06 -2.55 0.00 0.41 0.00 0.00 0.00 175.76 173.69 1orm n GLY 68 N 3.26 2.60 0.00 0.00 0.00 -1.26 -4.24 105.19 105.55 1orm n GLY 68 Ca 0.06 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1orm n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1orm n PRO 69 N 0.00 -0.21 -3.03 1.61 -0.04 -1.26 -4.78 135.00 127.30 1orm n PRO 69 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 1orm n PRO 69 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 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 3.37 0.19 0.55 0.00 -1.25 -4.63 121.76 116.49 1orm s ALA 70 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1orm s ALA 70 Cb 0.00 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 1orm s ALA 70 CO 0.00 0.01 0.06 -0.47 0.00 0.00 0.00 175.76 175.36 1orm s TYR 71 N 0.25 1.19 0.00 0.00 5.04 -1.17 -4.89 117.35 117.77 1orm s TYR 71 Ca 0.37 -1.17 0.00 0.00 -2.44 0.00 0.00 57.07 53.83 1orm s TYR 71 Cb -0.19 -0.67 0.00 0.00 0.35 0.00 0.00 41.96 41.45 1orm s TYR 71 CO 0.21 -0.39 0.00 -2.13 -1.34 0.00 0.00 175.55 171.90 1orm n ARG 72 N -0.26 0.00 -2.69 4.97 3.00 -1.26 -4.35 116.66 116.07 1orm n ARG 72 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.72 1orm n ARG 72 Cb 0.65 0.00 0.05 0.00 0.00 0.00 0.00 32.46 33.15 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 0.00 -5.41 0.00 5.15 5.41 -1.26 -5.04 119.36 118.22 1orm n ILE 73 Ca 0.00 -0.68 0.00 0.00 1.00 0.00 0.00 62.75 63.07 1orm n ILE 73 Cb 0.00 -4.86 0.00 0.00 -0.71 0.00 0.00 39.64 34.07 1orm n ILE 73 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1orm n ASN 74 N -2.50 0.00 -0.02 4.38 5.15 -0.36 -4.98 115.26 116.92 1orm n ASN 74 Ca -0.09 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.77 1orm n ASN 74 Cb 0.58 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.69 1orm n ASN 74 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1orm n ASP 75 N 0.00 1.23 -2.70 1.20 8.00 -1.26 -4.57 116.55 118.44 1orm n ASP 75 Ca 0.00 0.32 -0.06 0.00 0.71 0.00 0.00 54.79 55.76 1orm n ASP 75 Cb 0.00 -0.26 0.09 0.00 -0.02 0.00 0.00 41.12 40.94 1orm n ASP 75 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 1orm n TRP 76 N -3.16 -1.09 -3.49 1.24 2.14 -1.26 -4.80 117.44 107.02 1orm n TRP 76 Ca -0.23 -2.12 0.00 0.00 2.07 0.00 0.00 57.50 57.22 1orm n TRP 76 Cb 1.06 0.91 -0.05 0.00 -0.81 0.00 0.00 31.31 32.42 1orm n TRP 76 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1orm s ALA 77 N -1.07 -2.54 0.27 -1.67 0.00 -1.26 -4.49 121.76 110.99 1orm s ALA 77 Ca 0.21 2.12 0.00 0.00 0.00 0.00 0.00 51.96 54.29 1orm s ALA 77 Cb 0.42 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.60 1orm s ALA 77 CO -0.06 -0.79 0.00 -1.13 0.00 0.00 0.00 175.76 173.78 1orm n SER 78 N 4.67 -1.25 -2.21 0.00 3.41 -1.25 -1.23 113.62 115.75 1orm n SER 78 Ca -0.12 0.48 -0.28 0.00 -0.26 0.00 0.00 58.87 58.69 1orm n SER 78 Cb 0.54 1.32 0.05 0.00 -0.26 0.00 0.00 64.21 65.86 1orm n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1orm n ILE 79 N -3.22 3.29 -2.84 -1.33 3.06 -1.26 -3.04 119.36 114.02 1orm n ILE 79 Ca 0.00 -2.54 -0.33 0.00 -2.50 0.00 0.00 62.75 57.38 1orm n ILE 79 Cb 0.00 -1.26 -0.07 0.00 0.54 0.00 0.00 39.64 38.85 1orm n ILE 79 CO 0.00 0.00 0.00 -0.72 -2.50 0.00 0.00 176.55 173.33 1orm s TYR 80 N -2.93 3.35 -0.32 9.51 -0.85 -1.26 -2.99 117.35 121.86 1orm s TYR 80 Ca 0.51 1.59 -0.26 0.00 -0.52 0.00 0.00 57.07 58.40 1orm s TYR 80 Cb 0.39 -2.83 0.04 0.00 0.38 0.00 0.00 41.96 39.94 1orm s TYR 80 CO -0.05 -0.06 0.45 0.41 -1.52 0.00 0.00 175.55 174.78 1orm n GLY 81 N -0.50 -0.12 3.89 5.49 0.00 -0.38 -4.94 105.19 108.64 1orm n GLY 81 Ca 0.06 0.82 -0.20 0.00 0.00 0.00 0.00 46.02 46.70 1orm n GLY 81 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1orm s VAL 82 N -1.41 2.91 -0.20 1.61 -7.23 -1.26 -5.06 120.40 109.76 1orm s VAL 82 Ca 0.26 -1.30 -0.04 0.00 -1.81 0.00 0.00 61.98 59.08 1orm s VAL 82 Cb -0.03 -3.05 -0.02 0.00 0.56 0.00 0.00 36.38 33.85 1orm s VAL 82 CO 0.62 -0.04 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.65 1orm s VAL 83 N -2.42 3.64 0.56 1.32 1.01 -1.26 -4.46 120.40 118.79 1orm s VAL 83 Ca 0.47 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.08 1orm s VAL 83 Cb -0.05 -2.64 0.06 0.00 0.00 0.00 0.00 36.38 33.75 1orm s VAL 83 CO 0.28 0.43 0.77 -0.83 0.00 0.00 0.00 175.10 175.75 1orm s GLY 84 N 1.12 1.82 -0.40 4.51 0.00 -1.26 -1.02 107.32 112.09 1orm s GLY 84 Ca 0.02 -1.71 0.10 0.00 0.00 0.00 0.00 44.72 43.13 1orm s GLY 84 CO 0.00 -1.35 0.66 -0.62 0.00 0.00 0.00 173.10 171.80 1orm n VAL 85 N -2.29 -0.07 -3.92 1.40 0.31 -1.23 -4.45 118.33 108.08 1orm n VAL 85 Ca 0.11 -4.45 -0.21 0.00 -0.01 0.00 0.00 64.34 59.78 1orm n VAL 85 Cb 0.60 -1.06 -0.03 0.00 -0.91 0.00 0.00 33.84 32.45 1orm n VAL 85 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1orm s GLY 86 N -2.02 1.37 -0.11 2.92 0.00 -0.68 -4.65 107.32 104.16 1orm s GLY 86 Ca 0.39 -1.35 0.01 0.00 0.00 0.00 0.00 44.72 43.76 1orm s GLY 86 CO -0.09 -1.35 -0.13 -0.19 0.00 0.00 0.00 173.10 171.33 1orm s TYR 87 N -2.08 2.79 -0.12 1.90 2.02 -1.26 -1.07 117.35 119.53 1orm s TYR 87 Ca 0.36 -0.49 -0.04 0.00 -0.37 0.00 0.00 57.07 56.53 1orm s TYR 87 Cb -0.08 -1.78 -0.03 0.00 -0.40 0.00 0.00 41.96 39.66 1orm s TYR 87 CO 0.28 -0.09 0.02 0.20 -1.57 0.00 0.00 175.55 174.39 1orm s GLY 88 N 0.03 1.88 0.07 0.71 0.00 -1.26 -4.86 107.32 103.90 1orm s GLY 88 Ca -0.04 -0.78 -0.21 0.00 0.00 0.00 0.00 44.72 43.69 1orm s GLY 88 CO 0.04 -0.35 0.50 1.25 0.00 0.00 0.00 173.10 174.54 1orm s LYS 89 N -0.48 1.05 -0.02 2.90 2.20 -1.26 -4.10 119.74 120.02 1orm s LYS 89 Ca 0.09 -0.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.37 1orm s LYS 89 Cb -0.12 0.48 0.01 0.00 -1.51 0.00 0.00 37.83 36.69 1orm s LYS 89 CO 0.02 -0.39 -0.02 -0.06 -0.36 0.00 0.00 175.35 174.54 1orm s PHE 90 N -2.78 0.35 0.16 4.03 0.08 -1.26 -4.80 117.98 113.76 1orm s PHE 90 Ca -0.03 -0.04 -0.23 0.00 0.12 0.00 0.00 56.93 56.74 1orm s PHE 90 Cb -0.00 -0.34 0.06 0.00 -0.57 0.00 0.00 43.02 42.17 1orm s PHE 90 CO -0.04 -0.08 0.68 -1.14 -0.10 0.00 0.00 175.22 174.53 1orm s GLN 91 N 0.54 1.32 0.00 0.44 0.74 -1.26 -0.51 119.66 120.93 1orm s GLN 91 Ca -0.06 -0.56 0.00 0.00 0.05 0.00 0.00 55.36 54.79 1orm s GLN 91 Cb -0.09 0.56 0.00 0.00 1.10 0.00 0.00 33.01 34.58 1orm s GLN 91 CO -0.01 -0.59 0.00 2.41 -0.55 0.00 0.00 175.29 176.56 1orm n THR 92 N -0.38 0.00 -3.64 -0.34 -1.04 -1.26 -3.33 114.28 104.29 1orm n THR 92 Ca -0.13 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.70 1orm n THR 92 Cb 0.63 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.13 1orm n THR 92 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1orm n THR 93 N -1.30 -0.85 0.00 12.58 5.66 -1.26 -4.68 114.28 124.42 1orm n THR 93 Ca 0.00 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1orm n THR 93 Cb 0.00 -0.76 0.00 0.00 -1.55 0.00 0.00 70.33 68.02 1orm n THR 93 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1orm n GLU 94 N -2.74 0.00 -4.04 1.09 4.07 -1.26 -4.89 120.64 112.87 1orm n GLU 94 Ca -0.10 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 56.91 1orm n GLU 94 Cb 0.28 -0.53 -0.07 0.00 -0.06 0.00 0.00 31.44 31.06 1orm n GLU 94 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 1orm s TYR 95 N -1.70 0.58 -1.93 4.31 2.02 -1.26 -4.98 117.35 114.39 1orm s TYR 95 Ca 0.00 -0.90 0.24 0.00 -0.37 0.00 0.00 57.07 56.04 1orm s TYR 95 Cb 0.00 -0.07 1.39 0.00 -0.40 0.00 0.00 41.96 42.89 1orm s TYR 95 CO 0.00 -0.83 1.79 -0.35 -1.57 0.00 0.00 175.55 174.59 1orm n PRO 96 N -0.31 0.69 -1.95 -1.71 -0.04 -1.26 -2.94 135.00 127.48 1orm n PRO 96 Ca -0.02 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1orm n PRO 96 Cb 0.63 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.62 1orm n PRO 96 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1orm n THR 97 N -1.04 0.37 -1.43 0.52 5.66 -1.26 -5.14 114.28 111.97 1orm n THR 97 Ca 0.17 -1.38 0.17 0.00 -3.05 0.00 0.00 64.05 59.96 1orm n THR 97 Cb 0.09 1.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.79 1orm n THR 97 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1orm n TYR 98 N -0.17 -3.73 0.06 1.09 4.01 -1.15 -4.98 117.16 112.28 1orm n TYR 98 Ca -0.03 2.03 0.00 0.00 -0.16 0.00 0.00 57.90 59.74 1orm n TYR 98 Cb 0.93 -3.39 0.00 0.00 -0.31 0.00 0.00 39.34 36.57 1orm n TYR 98 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1orm n LYS 99 N -4.30 0.00 -3.04 -0.72 0.00 -1.26 -4.68 118.16 104.16 1orm n LYS 99 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.10 1orm n LYS 99 Cb 0.67 -0.34 0.06 0.00 0.00 0.00 0.00 35.03 35.43 1orm n LYS 99 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1orm n ASN 100 N -3.33 -5.67 -4.14 3.14 5.15 -1.00 -4.93 115.26 104.49 1orm n ASN 100 Ca 0.00 -0.61 -0.36 0.00 -0.60 0.00 0.00 54.58 53.01 1orm n ASN 100 Cb 0.00 -4.59 0.08 0.00 -0.53 0.00 0.00 39.78 34.74 1orm n ASN 100 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1orm n ASP 101 N -2.99 -3.39 -2.29 1.20 2.03 0.33 -4.88 116.55 106.57 1orm n ASP 101 Ca -0.08 0.06 -0.03 0.00 0.52 0.00 0.00 54.79 55.26 1orm n ASP 101 Cb 0.61 -0.79 0.02 0.00 -0.72 0.00 0.00 41.12 40.24 1orm n ASP 101 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1orm n THR 102 N -3.54 0.00 -3.66 5.18 -2.24 -1.26 -4.44 114.28 104.32 1orm n THR 102 Ca -0.00 -0.17 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 1orm n THR 102 Cb 0.65 -1.50 -0.10 0.00 -2.10 0.00 0.00 70.33 67.27 1orm n THR 102 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1orm s SER 103 N -1.53 -0.17 -0.05 3.42 0.15 -1.26 -4.44 113.70 109.82 1orm s SER 103 Ca 0.09 0.90 -0.04 0.00 0.70 0.00 0.00 55.95 57.60 1orm s SER 103 Cb -0.00 1.16 -0.01 0.00 -1.71 0.00 0.00 66.02 65.45 1orm s SER 103 CO 0.06 -0.23 -0.07 0.47 1.20 0.00 0.00 173.24 174.67 1orm n ASP 104 N 5.25 0.56 -3.65 5.45 9.92 -1.26 -5.01 116.55 127.82 1orm n ASP 104 Ca -0.10 0.28 -0.02 0.00 -0.53 0.00 0.00 54.79 54.43 1orm n ASP 104 Cb 0.50 -0.60 -0.07 0.00 -0.64 0.00 0.00 41.12 40.31 1orm n ASP 104 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 1orm s TYR 105 N -1.44 -0.22 0.24 1.24 -0.85 -1.26 -5.07 117.35 109.98 1orm s TYR 105 Ca -0.06 0.48 0.02 0.00 -0.52 0.00 0.00 57.07 56.99 1orm s TYR 105 Cb 0.01 0.27 -0.03 0.00 0.38 0.00 0.00 41.96 42.58 1orm s TYR 105 CO 0.09 -0.11 0.40 0.20 -1.52 0.00 0.00 175.55 174.60 1orm s GLY 106 N 0.72 1.49 -0.30 5.49 0.00 -0.23 -4.95 107.32 109.53 1orm s GLY 106 Ca -0.03 -1.01 -0.19 0.00 0.00 0.00 0.00 44.72 43.49 1orm s GLY 106 CO -0.12 -0.99 1.30 -0.12 0.00 0.00 0.00 173.10 173.16 1orm s PHE 107 N -1.98 -0.06 0.00 1.90 5.36 -1.26 -4.04 117.98 117.90 1orm s PHE 107 Ca 0.37 0.11 0.00 0.00 -0.96 0.00 0.00 56.93 56.45 1orm s PHE 107 Cb -0.10 0.04 0.00 0.00 -0.34 0.00 0.00 43.02 42.62 1orm s PHE 107 CO 0.30 -0.03 0.00 0.43 -1.46 0.00 0.00 175.22 174.46 1orm n SER 108 N 4.46 0.00 0.00 6.13 7.64 -1.26 -4.68 113.62 125.91 1orm n SER 108 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1orm n SER 108 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1orm n SER 108 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1orm n TYR 109 N -0.48 0.00 0.00 1.43 9.36 -0.96 -4.52 117.16 121.99 1orm n TYR 109 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1orm n TYR 109 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1orm n TYR 109 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1orm n GLY 110 N 0.00 1.00 0.00 2.98 0.00 -1.26 -2.17 105.19 105.74 1orm n GLY 110 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1orm n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1orm n ALA 111 N -3.00 0.00 -3.65 4.61 0.00 -1.26 -1.25 120.51 115.96 1orm n ALA 111 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1orm n ALA 111 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 1orm n ALA 111 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1orm s GLY 112 N 0.00 1.36 -0.19 0.00 0.00 -1.16 -4.86 107.32 102.47 1orm s GLY 112 Ca 0.00 -1.09 -0.20 0.00 0.00 0.00 0.00 44.72 43.43 1orm s GLY 112 CO 0.00 -0.03 0.60 -2.27 0.00 0.00 0.00 173.10 171.39 1orm s LEU 113 N 0.80 4.15 -0.37 0.66 2.96 -1.26 -3.96 118.68 121.66 1orm s LEU 113 Ca -0.07 0.80 -0.24 0.00 -0.22 0.00 0.00 54.13 54.39 1orm s LEU 113 Cb -0.16 -2.84 0.01 0.00 0.50 0.00 0.00 46.19 43.71 1orm s LEU 113 CO -0.02 -0.23 0.82 -1.58 -1.32 0.00 0.00 176.35 174.02 1orm s GLN 114 N 1.77 3.75 0.16 1.98 2.00 -1.26 -4.66 119.66 123.41 1orm s GLN 114 Ca 0.27 0.35 0.03 0.00 -2.00 0.00 0.00 55.36 54.01 1orm s GLN 114 Cb -0.16 -3.81 0.03 0.00 0.80 0.00 0.00 33.01 29.86 1orm s GLN 114 CO 0.10 -0.89 0.22 1.97 -0.50 0.00 0.00 175.29 176.19 1orm n PHE 115 N 6.52 -2.71 -3.76 1.67 -1.74 -1.26 -4.61 117.46 111.57 1orm n PHE 115 Ca 0.04 -0.59 -0.29 0.00 -0.56 0.00 0.00 57.45 56.05 1orm n PHE 115 Cb 0.48 -0.15 -0.16 0.00 1.52 0.00 0.00 39.48 41.17 1orm n PHE 115 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 1orm s ASN 116 N -1.99 3.44 0.42 5.98 3.84 -1.26 -5.08 114.94 120.28 1orm s ASN 116 Ca 0.16 -1.16 -0.23 0.00 0.21 0.00 0.00 52.86 51.84 1orm s ASN 116 Cb -0.01 -0.77 -0.09 0.00 -0.55 0.00 0.00 41.25 39.83 1orm s ASN 116 CO 0.10 -0.34 1.05 -2.16 -2.79 0.00 0.00 177.10 172.97 1orm s PRO 117 N 1.71 4.09 -0.19 0.43 0.04 -1.26 -4.99 135.00 134.84 1orm s PRO 117 Ca 0.02 1.49 -0.09 0.00 0.04 0.00 0.00 61.00 62.46 1orm s PRO 117 Cb -0.17 -2.46 -0.08 0.00 0.04 0.00 0.00 34.50 31.83 1orm s PRO 117 CO -0.14 -0.20 -0.24 -0.12 0.04 0.00 0.00 177.00 176.33 1orm n MET 118 N -0.24 0.40 -0.01 4.56 1.56 -1.26 -4.91 117.12 117.21 1orm n MET 118 Ca 0.06 0.17 -0.03 0.00 -0.27 0.00 0.00 57.70 57.63 1orm n MET 118 Cb 0.50 -1.16 -0.01 0.00 2.15 0.00 0.00 33.22 34.70 1orm n MET 118 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1orm n GLU 119 N -3.85 0.06 0.00 2.12 1.02 -1.26 -5.04 120.64 113.69 1orm n GLU 119 Ca -0.36 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.80 1orm n GLU 119 Cb 0.75 -0.71 0.00 0.00 -0.02 0.00 0.00 31.44 31.46 1orm n GLU 119 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1orm n ASN 120 N -2.99 0.00 -4.05 1.62 4.13 -1.26 -5.11 115.26 107.60 1orm n ASN 120 Ca -0.05 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.11 1orm n ASN 120 Cb 0.54 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.70 1orm n ASN 120 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1orm s VAL 121 N 0.00 0.06 -0.02 2.41 -7.23 -1.26 -4.84 120.40 109.52 1orm s VAL 121 Ca 0.00 -1.61 -0.00 0.00 -1.81 0.00 0.00 61.98 58.56 1orm s VAL 121 Cb 0.00 -2.03 0.03 0.00 0.56 0.00 0.00 36.38 34.93 1orm s VAL 121 CO 0.00 -0.26 0.03 0.00 -0.31 0.00 0.00 175.10 174.56 1orm s ALA 122 N -4.02 0.06 -0.42 1.32 0.00 -1.26 -4.70 121.76 112.73 1orm s ALA 122 Ca 0.23 0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.50 1orm s ALA 122 Cb 0.04 -0.23 0.14 0.00 0.00 0.00 0.00 23.12 23.07 1orm s ALA 122 CO 0.03 -0.10 0.25 -0.51 0.00 0.00 0.00 175.76 175.43 1orm s LEU 123 N 0.97 2.19 -0.24 0.00 1.43 -1.26 -4.56 118.68 117.21 1orm s LEU 123 Ca -0.08 -2.59 -0.03 0.00 -1.03 0.00 0.00 54.13 50.40 1orm s LEU 123 Cb -0.12 -0.83 0.10 0.00 0.03 0.00 0.00 46.19 45.37 1orm s LEU 123 CO -0.03 -0.26 0.18 -0.62 0.23 0.00 0.00 176.35 175.85 1orm s ASP 124 N 0.46 2.28 -0.22 2.29 3.68 -1.26 -4.52 116.67 119.38 1orm s ASP 124 Ca 0.19 -0.73 -0.29 0.00 2.13 0.00 0.00 52.55 53.85 1orm s ASP 124 Cb -0.21 0.06 0.15 0.00 -1.45 0.00 0.00 42.92 41.47 1orm s ASP 124 CO -0.02 -0.38 1.12 0.72 0.13 0.00 0.00 175.17 176.74 1orm s PHE 125 N 2.23 -0.29 0.00 -5.34 -0.12 -1.26 -4.09 117.98 109.10 1orm s PHE 125 Ca 0.07 0.55 0.00 0.00 -0.05 0.00 0.00 56.93 57.50 1orm s PHE 125 Cb -0.15 0.45 0.00 0.00 -0.63 0.00 0.00 43.02 42.68 1orm s PHE 125 CO -0.23 -0.23 0.00 -1.13 -0.05 0.00 0.00 175.22 173.58 1orm n SER 126 N 0.98 0.00 -3.61 1.98 3.41 -1.26 -4.95 113.62 110.16 1orm n SER 126 Ca -0.08 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.49 1orm n SER 126 Cb 0.58 0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.67 1orm n SER 126 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1orm s TYR 127 N -0.97 -0.10 0.06 7.33 -0.85 -1.26 -4.76 117.35 116.80 1orm s TYR 127 Ca 0.00 0.08 0.00 0.00 -0.52 0.00 0.00 57.07 56.63 1orm s TYR 127 Cb 0.00 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.81 1orm s TYR 127 CO 0.00 -0.15 -0.04 -1.83 -1.52 0.00 0.00 175.55 172.00 1orm s GLU 128 N -2.16 0.65 0.07 -3.49 -1.05 -1.26 -4.21 118.70 107.26 1orm s GLU 128 Ca 0.09 -1.17 0.06 0.00 -0.15 0.00 0.00 54.97 53.80 1orm s GLU 128 Cb -0.01 0.03 -0.03 0.00 -0.44 0.00 0.00 34.13 33.68 1orm s GLU 128 CO -0.04 -0.06 -0.15 -0.65 0.95 0.00 0.00 175.26 175.30 1orm s GLN 129 N -3.51 0.88 -0.31 -4.83 -1.52 -0.92 -4.30 119.66 105.14 1orm s GLN 129 Ca 0.05 -0.97 -0.07 0.00 -1.95 0.00 0.00 55.36 52.43 1orm s GLN 129 Cb 0.04 -0.93 0.19 0.00 -0.22 0.00 0.00 33.01 32.09 1orm s GLN 129 CO -0.07 0.21 0.95 -1.54 -0.25 0.00 0.00 175.29 174.59 1orm s SER 130 N -1.71 -0.66 0.00 5.90 1.04 -1.26 -2.27 113.70 114.74 1orm s SER 130 Ca -0.00 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1orm s SER 130 Cb -0.10 1.23 0.00 0.00 0.10 0.00 0.00 66.02 67.26 1orm s SER 130 CO 0.02 -0.11 0.00 -1.14 0.98 0.00 0.00 173.24 173.00 1orm n ARG 131 N 4.78 0.00 -3.36 4.02 3.00 -1.26 -4.86 116.66 118.98 1orm n ARG 131 Ca 0.08 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.77 1orm n ARG 131 Cb 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.97 1orm n ARG 131 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 1orm s ILE 132 N -1.60 -0.39 0.00 5.15 2.07 -1.26 -4.54 121.20 120.63 1orm s ILE 132 Ca 0.00 -0.80 0.00 0.00 -1.41 0.00 0.00 60.65 58.44 1orm s ILE 132 Cb 0.00 -0.74 0.00 0.00 0.13 0.00 0.00 42.46 41.85 1orm s ILE 132 CO 0.00 -0.52 0.00 -1.14 -1.91 0.00 0.00 174.94 171.37 1orm n ARG 133 N 4.55 0.00 -0.04 3.50 0.63 -1.26 -4.56 116.66 119.48 1orm n ARG 133 Ca 0.08 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.04 1orm n ARG 133 Cb 0.46 0.00 0.16 0.00 0.45 0.00 0.00 32.46 33.54 1orm n ARG 133 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1orm n SER 134 N 2.32 0.47 -4.21 6.15 7.64 -1.26 -4.87 113.62 119.86 1orm n SER 134 Ca 0.00 -1.86 -0.36 0.00 1.01 0.00 0.00 58.87 57.66 1orm n SER 134 Cb 0.00 -0.05 -0.15 0.00 -1.01 0.00 0.00 64.21 63.00 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 -0.30 0.00 -2.74 0.44 0.31 -1.26 -4.66 118.33 110.12 1orm n VAL 135 Ca 0.06 -0.07 -0.09 0.00 -0.01 0.00 0.00 64.34 64.23 1orm n VAL 135 Cb 0.09 -0.40 0.07 0.00 -0.91 0.00 0.00 33.84 32.69 1orm n VAL 135 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1orm n ASP 136 N 9.12 -0.46 -4.41 4.52 -0.08 -1.26 -5.03 116.55 118.95 1orm n ASP 136 Ca 0.62 -2.75 -0.32 0.00 -1.51 0.00 0.00 54.79 50.82 1orm n ASP 136 Cb 0.04 0.39 -0.14 0.00 2.34 0.00 0.00 41.12 43.76 1orm n ASP 136 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1orm s VAL 137 N -1.27 2.86 0.46 5.18 -7.23 -1.26 -3.56 120.40 115.57 1orm s VAL 137 Ca 0.26 -0.78 0.03 0.00 -1.81 0.00 0.00 61.98 59.67 1orm s VAL 137 Cb 0.40 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 1orm s VAL 137 CO -0.04 0.57 0.05 -0.83 -0.31 0.00 0.00 175.10 174.55 1orm s GLY 138 N -0.40 2.81 -0.07 2.32 0.00 -0.61 -4.50 107.32 106.87 1orm s GLY 138 Ca 0.04 -0.87 -0.32 0.00 0.00 0.00 0.00 44.72 43.58 1orm s GLY 138 CO 0.02 -2.04 1.14 -1.08 0.00 0.00 0.00 173.10 171.13 1orm s THR 139 N -3.01 0.00 -0.43 0.90 -1.32 -1.26 -4.53 115.64 105.99 1orm s THR 139 Ca 0.15 -0.13 0.07 0.00 -1.21 0.00 0.00 61.69 60.57 1orm s THR 139 Cb 0.03 -1.35 0.23 0.00 -1.51 0.00 0.00 72.50 69.90 1orm s THR 139 CO 0.09 0.00 0.61 1.87 -2.21 0.00 0.00 174.62 174.98 1orm n TRP 140 N -0.26 -1.54 -2.71 9.09 -0.00 -1.26 -4.52 117.44 116.24 1orm n TRP 140 Ca -0.04 -2.86 -0.30 0.00 -0.00 0.00 0.00 57.50 54.30 1orm n TRP 140 Cb 0.60 0.41 -0.03 0.00 -0.00 0.00 0.00 31.31 32.30 1orm n TRP 140 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 177.69 176.19 1orm s ILE 141 N -0.33 4.77 -0.44 5.87 2.07 -1.26 -4.86 121.20 127.02 1orm s ILE 141 Ca 0.34 0.65 0.06 0.00 -1.41 0.00 0.00 60.65 60.29 1orm s ILE 141 Cb 0.16 -3.76 0.22 0.00 0.13 0.00 0.00 42.46 39.21 1orm s ILE 141 CO -0.16 -0.62 0.49 0.00 -1.91 0.00 0.00 174.94 172.73 1orm n ALA 142 N -1.55 2.77 -1.56 1.50 0.00 -1.26 -4.57 120.51 115.85 1orm n ALA 142 Ca 0.03 -3.50 -0.61 0.00 0.00 0.00 0.00 53.44 49.36 1orm n ALA 142 Cb 0.54 -0.81 -0.09 0.00 0.00 0.00 0.00 19.45 19.08 1orm n ALA 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1orm n GLY 143 N 1.82 0.31 2.77 0.00 0.00 -1.26 -4.81 105.19 104.02 1orm n GLY 143 Ca 0.25 1.01 -0.28 0.00 0.00 0.00 0.00 46.02 47.00 1orm n GLY 143 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1orm s VAL 144 N 4.60 0.69 0.00 1.61 1.01 -1.23 -4.26 120.40 122.82 1orm s VAL 144 Ca 1.08 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1orm s VAL 144 Cb -1.30 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1orm s VAL 144 CO 0.69 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1orm n GLY 145 N 4.99 0.54 3.60 4.51 0.00 -1.26 -3.99 105.19 113.58 1orm n GLY 145 Ca -0.09 0.27 0.01 0.00 0.00 0.00 0.00 46.02 46.20 1orm n GLY 145 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1orm s TYR 146 N 1.70 -0.03 0.07 1.61 -0.85 -1.25 -4.23 117.35 114.36 1orm s TYR 146 Ca 0.00 -0.01 -0.04 0.00 -0.52 0.00 0.00 57.07 56.49 1orm s TYR 146 Cb 0.00 0.52 -0.05 0.00 0.38 0.00 0.00 41.96 42.81 1orm s TYR 146 CO 0.00 -0.13 0.29 -0.98 -1.52 0.00 0.00 175.55 173.21 1orm s ARG 147 N -2.21 3.56 0.00 -3.49 1.04 -1.26 -3.47 118.95 113.12 1orm s ARG 147 Ca 0.14 -0.16 0.00 0.00 -1.04 0.00 0.00 55.73 54.66 1orm s ARG 147 Cb 0.04 -2.99 0.00 0.00 -2.04 0.00 0.00 34.95 29.97 1orm s ARG 147 CO -0.05 0.57 0.00 1.19 -0.04 0.00 0.00 175.30 176.98