#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1orm s THR 2 N 0.00 1.89 -0.46 0.00 -1.32 -1.26 -5.04 115.64 109.44 1orm s THR 2 Ca 0.00 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 1orm s THR 2 Cb 0.00 -2.71 0.16 0.00 -1.51 0.00 0.00 72.50 68.44 1orm s THR 2 CO 0.00 0.00 0.33 -0.55 -2.21 0.00 0.00 174.62 172.19 1orm s SER 3 N -4.12 2.63 0.05 8.08 0.15 -1.26 -4.94 113.70 114.28 1orm s SER 3 Ca 0.68 -3.01 0.00 0.00 0.70 0.00 0.00 55.95 54.32 1orm s SER 3 Cb -0.11 -0.75 -0.04 0.00 -1.71 0.00 0.00 66.02 63.41 1orm s SER 3 CO 0.54 -0.19 0.18 0.28 1.20 0.00 0.00 173.24 175.25 1orm s THR 4 N -0.03 5.23 -0.03 6.45 -1.32 -1.26 -3.74 115.64 120.94 1orm s THR 4 Ca 0.27 -0.42 -0.08 0.00 -1.21 0.00 0.00 61.69 60.24 1orm s THR 4 Cb -0.06 -3.53 0.01 0.00 -1.51 0.00 0.00 72.50 67.42 1orm s THR 4 CO -0.13 0.17 0.19 0.54 -2.21 0.00 0.00 174.62 173.18 1orm s VAL 5 N -1.45 0.05 0.22 5.08 0.11 -1.26 -4.96 120.40 118.18 1orm s VAL 5 Ca 0.32 -0.40 -0.11 0.00 -2.93 0.00 0.00 61.98 58.86 1orm s VAL 5 Cb -0.13 -0.40 -0.00 0.00 -1.53 0.00 0.00 36.38 34.31 1orm s VAL 5 CO 0.25 -0.22 0.41 0.42 -3.33 0.00 0.00 175.10 172.63 1orm s THR 6 N -0.81 0.02 -0.03 5.04 -4.23 -1.26 -4.10 115.64 110.26 1orm s THR 6 Ca -0.09 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.04 1orm s THR 6 Cb -0.05 -2.07 0.03 0.00 1.34 0.00 0.00 72.50 71.74 1orm s THR 6 CO 0.01 -0.08 -0.01 -0.83 -0.54 0.00 0.00 174.62 173.17 1orm s GLY 7 N -3.00 0.30 -0.10 3.99 0.00 -1.26 -4.92 107.32 102.33 1orm s GLY 7 Ca 0.21 0.10 0.00 0.00 0.00 0.00 0.00 44.72 45.03 1orm s GLY 7 CO 0.06 0.54 -0.10 -0.32 0.00 0.00 0.00 173.10 173.28 1orm s GLY 8 N 0.98 1.61 -0.30 0.20 0.00 -1.26 -4.34 107.32 104.21 1orm s GLY 8 Ca -0.10 -0.89 -0.17 0.00 0.00 0.00 0.00 44.72 43.56 1orm s GLY 8 CO -0.01 -0.41 1.19 -2.52 0.00 0.00 0.00 173.10 171.35 1orm s TYR 9 N -0.17 -0.21 0.31 1.90 1.13 -1.13 -4.26 117.35 114.92 1orm s TYR 9 Ca 0.01 0.41 -0.12 0.00 -1.41 0.00 0.00 57.07 55.96 1orm s TYR 9 Cb -0.13 0.13 0.02 0.00 -1.10 0.00 0.00 41.96 40.87 1orm s TYR 9 CO 0.03 -0.11 0.59 0.00 -2.51 0.00 0.00 175.55 173.56 1orm s ALA 10 N 1.46 -0.25 -0.36 9.51 0.00 -1.26 -4.86 121.76 126.00 1orm s ALA 10 Ca -0.06 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 50.93 1orm s ALA 10 Cb -0.02 0.96 0.06 0.00 0.00 0.00 0.00 23.12 24.12 1orm s ALA 10 CO -0.13 -0.90 0.13 -0.65 0.00 0.00 0.00 175.76 174.21 1orm s GLN 11 N -3.32 2.45 0.51 0.00 -0.21 -1.26 -4.57 119.66 113.25 1orm s GLN 11 Ca 0.21 -1.38 -0.18 0.00 0.02 0.00 0.00 55.36 54.03 1orm s GLN 11 Cb -0.03 -3.48 -0.08 0.00 1.00 0.00 0.00 33.01 30.43 1orm s GLN 11 CO 0.12 -0.79 1.00 -1.54 -2.12 0.00 0.00 175.29 171.96 1orm s SER 12 N 1.59 6.50 -0.45 5.90 1.04 -1.26 -4.47 113.70 122.55 1orm s SER 12 Ca 0.00 1.67 0.03 0.00 0.48 0.00 0.00 55.95 58.13 1orm s SER 12 Cb -0.21 -2.52 0.15 0.00 0.10 0.00 0.00 66.02 63.53 1orm s SER 12 CO 0.00 -0.67 0.29 -0.62 0.98 0.00 0.00 173.24 173.22 1orm s ASP 13 N -2.75 3.29 -0.28 7.02 -1.08 -1.26 -2.59 116.67 119.02 1orm s ASP 13 Ca 0.61 -2.80 -0.05 0.00 -0.52 0.00 0.00 52.55 49.79 1orm s ASP 13 Cb -0.11 -0.91 0.01 0.00 -1.46 0.00 0.00 42.92 40.45 1orm s ASP 13 CO 0.28 -0.23 0.04 0.00 0.52 0.00 0.00 175.17 175.77 1orm s ALA 14 N 0.18 2.95 -1.80 3.66 0.00 -1.26 -3.82 121.76 121.68 1orm s ALA 14 Ca 0.21 -1.45 -0.22 0.00 0.00 0.00 0.00 51.96 50.50 1orm s ALA 14 Cb -0.16 -2.01 0.22 0.00 0.00 0.00 0.00 23.12 21.17 1orm s ALA 14 CO -0.05 -0.89 0.56 0.94 0.00 0.00 0.00 175.76 176.31 1orm n GLN 15 N 4.80 -0.73 0.00 0.00 7.27 -1.26 -4.72 117.38 122.74 1orm n GLN 15 Ca -0.15 0.13 0.00 0.00 0.07 0.00 0.00 57.00 57.05 1orm n GLN 15 Cb 0.48 -4.47 0.00 0.00 2.41 0.00 0.00 30.24 28.65 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 -1.08 4.18 2.70 1.69 0.00 -1.26 -5.11 105.19 106.32 1orm n GLY 16 Ca 0.10 -0.43 -0.07 0.00 0.00 0.00 0.00 46.02 45.63 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 0.68 -2.58 1.61 7.27 -1.26 -5.07 117.38 118.02 1orm n GLN 17 Ca 0.00 -1.45 -0.03 0.00 0.07 0.00 0.00 57.00 55.59 1orm n GLN 17 Cb 0.00 -0.69 -0.03 0.00 2.41 0.00 0.00 30.24 31.93 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 0.43 -3.94 0.00 3.69 2.81 -1.25 -5.05 117.12 113.81 1orm n MET 18 Ca 0.01 3.06 0.00 0.00 -1.81 0.00 0.00 57.70 58.96 1orm n MET 18 Cb 0.72 -5.00 0.00 0.00 -0.71 0.00 0.00 33.22 28.23 1orm n MET 18 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1orm n ASN 19 N 1.21 0.00 -3.86 7.83 3.02 -1.07 -5.01 115.26 117.39 1orm n ASN 19 Ca -0.24 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.03 1orm n ASN 19 Cb 0.36 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.41 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 3.12 2.09 0.36 3.52 -2.85 -1.26 -4.64 119.74 120.09 1orm s LYS 20 Ca 0.00 -2.91 0.07 0.00 -1.00 0.00 0.00 55.97 52.13 1orm s LYS 20 Cb 0.00 -3.13 -0.01 0.00 -2.06 0.00 0.00 37.83 32.62 1orm s LYS 20 CO 0.00 -1.23 0.41 0.00 0.10 0.00 0.00 175.35 174.63 1orm s MET 21 N -0.82 2.82 -0.28 1.78 0.23 -1.26 -4.58 119.30 117.19 1orm s MET 21 Ca 0.22 -1.25 -0.00 0.00 -1.03 0.00 0.00 55.69 53.63 1orm s MET 21 Cb -0.12 -2.61 0.05 0.00 -1.53 0.00 0.00 34.83 30.62 1orm s MET 21 CO -0.10 -0.03 -0.04 0.20 -2.03 0.00 0.00 175.02 173.02 1orm s GLY 22 N -4.13 1.71 -0.37 3.16 0.00 -1.26 -4.75 107.32 101.68 1orm s GLY 22 Ca 0.46 -1.74 -0.03 0.00 0.00 0.00 0.00 44.72 43.40 1orm s GLY 22 CO 0.29 0.65 0.14 -0.32 0.00 0.00 0.00 173.10 173.87 1orm s GLY 23 N 1.21 1.91 0.16 0.20 0.00 -1.26 -3.33 107.32 106.21 1orm s GLY 23 Ca -0.06 -2.23 0.09 0.00 0.00 0.00 0.00 44.72 42.52 1orm s GLY 23 CO -0.03 0.91 -0.11 -1.36 0.00 0.00 0.00 173.10 172.52 1orm s PHE 24 N 1.21 2.64 -0.30 1.90 0.40 -1.26 -2.82 117.98 119.76 1orm s PHE 24 Ca 0.03 -0.21 -0.18 0.00 -0.60 0.00 0.00 56.93 55.97 1orm s PHE 24 Cb -0.22 -1.33 0.17 0.00 0.51 0.00 0.00 43.02 42.16 1orm s PHE 24 CO -0.02 0.48 1.23 0.54 0.70 0.00 0.00 175.22 178.14 1orm s ASN 25 N -2.60 -0.05 0.26 1.36 2.20 -1.26 -4.08 114.94 110.76 1orm s ASN 25 Ca 0.23 0.03 0.08 0.00 -0.94 0.00 0.00 52.86 52.26 1orm s ASN 25 Cb -0.09 1.04 -0.04 0.00 -2.00 0.00 0.00 41.25 40.16 1orm s ASN 25 CO 0.14 -0.01 0.09 -1.48 -2.94 0.00 0.00 177.10 172.90 1orm s LEU 26 N 2.99 3.48 0.21 3.54 0.05 -1.26 -4.63 118.68 123.07 1orm s LEU 26 Ca -0.02 -0.46 0.04 0.00 0.05 0.00 0.00 54.13 53.74 1orm s LEU 26 Cb -0.06 -2.01 -0.05 0.00 -2.05 0.00 0.00 46.19 42.02 1orm s LEU 26 CO -0.10 -0.01 -0.04 -1.59 -0.55 0.00 0.00 176.35 174.06 1orm s LYS 27 N -3.74 1.29 -0.21 1.48 -2.85 -1.26 -4.37 119.74 110.09 1orm s LYS 27 Ca 0.32 -1.63 -0.04 0.00 -1.00 0.00 0.00 55.97 53.62 1orm s LYS 27 Cb -0.07 -0.69 0.09 0.00 -2.06 0.00 0.00 37.83 35.10 1orm s LYS 27 CO 0.22 -0.03 0.19 0.71 0.10 0.00 0.00 175.35 176.54 1orm s TYR 28 N -3.34 -0.15 0.27 1.78 1.51 -1.26 -4.90 117.35 111.27 1orm s TYR 28 Ca 0.25 0.02 -0.23 0.00 -1.01 0.00 0.00 57.07 56.11 1orm s TYR 28 Cb 0.04 -0.47 -0.09 0.00 -0.11 0.00 0.00 41.96 41.33 1orm s TYR 28 CO 0.07 -0.61 0.83 0.50 -1.11 0.00 0.00 175.55 175.22 1orm s ARG 29 N 2.27 4.40 -0.55 -0.62 3.52 -1.26 -4.80 118.95 121.92 1orm s ARG 29 Ca 0.06 1.08 0.05 0.00 -0.13 0.00 0.00 55.73 56.79 1orm s ARG 29 Cb -0.16 -2.83 0.19 0.00 -1.56 0.00 0.00 34.95 30.59 1orm s ARG 29 CO -0.14 0.33 0.48 2.48 -0.81 0.00 0.00 175.30 177.64 1orm n TYR 30 N 0.62 1.33 -4.68 5.12 4.11 -1.26 -4.53 117.16 117.86 1orm n TYR 30 Ca -0.00 -3.83 -0.26 0.00 -0.00 0.00 0.00 57.90 53.81 1orm n TYR 30 Cb 0.51 -0.26 -0.14 0.00 -0.00 0.00 0.00 39.34 39.45 1orm n TYR 30 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1orm s GLU 31 N -1.01 1.44 -0.29 -3.48 0.41 -1.26 -4.95 118.70 109.55 1orm s GLU 31 Ca 0.31 -0.95 0.05 0.00 -0.41 0.00 0.00 54.97 53.97 1orm s GLU 31 Cb 0.04 -1.55 0.19 0.00 -1.78 0.00 0.00 34.13 31.03 1orm s GLU 31 CO -0.15 0.40 1.12 -0.85 -0.49 0.00 0.00 175.26 175.29 1orm n GLU 32 N 1.87 0.60 -2.08 1.61 0.28 -1.26 -4.14 120.64 117.52 1orm n GLU 32 Ca -0.17 -0.97 -0.04 0.00 -0.16 0.00 0.00 57.16 55.83 1orm n GLU 32 Cb 0.53 0.05 0.06 0.00 1.43 0.00 0.00 31.44 33.51 1orm n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1orm n ASP 33 N -0.61 -1.27 -3.05 -1.84 -0.08 -1.26 -5.04 116.55 103.40 1orm n ASP 33 Ca -0.15 -2.10 -0.17 0.00 -1.51 0.00 0.00 54.79 50.86 1orm n ASP 33 Cb 0.71 0.54 0.02 0.00 2.34 0.00 0.00 41.12 44.73 1orm n ASP 33 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1orm n ASN 34 N -1.01 -7.18 0.00 1.67 2.85 -1.26 -5.02 115.26 105.32 1orm n ASN 34 Ca -0.21 0.40 0.00 0.00 -0.11 0.00 0.00 54.58 54.66 1orm n ASN 34 Cb 0.81 -4.12 0.00 0.00 1.24 0.00 0.00 39.78 37.71 1orm n ASN 34 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1orm n SER 35 N -0.12 0.00 -4.58 1.20 3.41 -1.26 -5.08 113.62 107.20 1orm n SER 35 Ca 0.04 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.30 1orm n SER 35 Cb 0.49 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 1orm n SER 35 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1orm s PRO 36 N 0.00 3.24 -0.28 4.33 0.04 -1.26 -4.80 135.00 136.27 1orm s PRO 36 Ca 0.00 -1.50 -0.01 0.00 0.04 0.00 0.00 61.00 59.53 1orm s PRO 36 Cb 0.00 -5.38 0.13 0.00 0.04 0.00 0.00 34.50 29.29 1orm s PRO 36 CO 0.00 -3.07 0.28 -1.17 0.04 0.00 0.00 177.00 173.07 1orm s LEU 37 N 7.56 -0.18 0.00 -3.56 1.98 -1.26 -4.91 118.68 118.31 1orm s LEU 37 Ca 0.61 -0.71 0.00 0.00 -2.89 0.00 0.00 54.13 51.13 1orm s LEU 37 Cb 0.01 0.45 0.00 0.00 0.66 0.00 0.00 46.19 47.31 1orm s LEU 37 CO 0.09 -0.38 0.00 0.61 -1.89 0.00 0.00 176.35 174.77 1orm n GLY 38 N 5.31 4.87 3.29 7.98 0.00 -1.26 -4.90 105.19 120.48 1orm n GLY 38 Ca -0.03 -2.06 -0.22 0.00 0.00 0.00 0.00 46.02 43.71 1orm n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1orm s VAL 39 N 1.17 1.65 -0.80 1.61 0.11 -1.26 -4.49 120.40 118.39 1orm s VAL 39 Ca 0.00 -1.69 -0.17 0.00 -2.93 0.00 0.00 61.98 57.19 1orm s VAL 39 Cb 0.00 -1.62 0.15 0.00 -1.53 0.00 0.00 36.38 33.38 1orm s VAL 39 CO 0.00 -0.22 0.90 -0.51 -3.33 0.00 0.00 175.10 171.94 1orm s ILE 40 N -1.64 5.04 -0.59 7.04 2.07 -1.26 -4.79 121.20 127.07 1orm s ILE 40 Ca 0.10 -1.71 0.04 0.00 -1.41 0.00 0.00 60.65 57.67 1orm s ILE 40 Cb -0.08 -4.60 0.36 0.00 0.13 0.00 0.00 42.46 38.27 1orm s ILE 40 CO 0.05 -1.25 1.08 0.61 -1.91 0.00 0.00 174.94 173.52 1orm n GLY 41 N 4.93 5.75 3.68 1.50 0.00 -1.26 -4.61 105.19 115.18 1orm n GLY 41 Ca 0.11 -2.76 -0.31 0.00 0.00 0.00 0.00 46.02 43.07 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 -3.26 5.01 -0.05 1.61 1.04 -1.26 -4.88 113.70 111.90 1orm s SER 42 Ca 0.48 -0.14 -0.17 0.00 0.48 0.00 0.00 55.95 56.60 1orm s SER 42 Cb 0.30 -1.21 0.03 0.00 0.10 0.00 0.00 66.02 65.24 1orm s SER 42 CO -0.16 0.20 0.38 0.72 0.98 0.00 0.00 173.24 175.36 1orm s PHE 43 N -1.25 -0.30 0.38 5.02 -0.12 -1.26 -4.60 117.98 115.86 1orm s PHE 43 Ca 0.24 0.56 0.07 0.00 -0.05 0.00 0.00 56.93 57.76 1orm s PHE 43 Cb -0.12 0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.41 1orm s PHE 43 CO 0.16 -0.37 0.40 0.99 -0.05 0.00 0.00 175.22 176.35 1orm s THR 44 N -0.94 3.21 -0.38 -4.49 2.01 -1.25 -4.54 115.64 109.26 1orm s THR 44 Ca -0.10 -1.23 0.05 0.00 0.31 0.00 0.00 61.69 60.72 1orm s THR 44 Cb -0.04 -3.12 0.27 0.00 0.01 0.00 0.00 72.50 69.62 1orm s THR 44 CO 0.04 -0.08 1.23 0.00 -0.69 0.00 0.00 174.62 175.13 1orm n TYR 45 N -1.57 -1.64 -3.60 4.92 4.11 -1.25 -4.30 117.16 113.83 1orm n TYR 45 Ca 0.02 -1.44 -0.04 0.00 -0.00 0.00 0.00 57.90 56.45 1orm n TYR 45 Cb 0.60 1.43 -0.02 0.00 -0.00 0.00 0.00 39.34 41.35 1orm n TYR 45 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 1orm s THR 46 N 0.14 0.00 0.00 -3.48 -1.32 -1.26 -4.93 115.64 104.79 1orm s THR 46 Ca 0.16 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 1orm s THR 46 Cb 0.27 -1.35 0.00 0.00 -1.51 0.00 0.00 72.50 69.90 1orm s THR 46 CO -0.08 0.00 0.00 -0.62 -2.21 0.00 0.00 174.62 171.71 1orm n GLU 47 N -0.27 0.00 -1.87 7.08 1.02 -1.21 -4.66 120.64 120.73 1orm n GLU 47 Ca -0.05 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.80 1orm n GLU 47 Cb 0.60 0.00 0.15 0.00 -0.02 0.00 0.00 31.44 32.17 1orm n GLU 47 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1orm s LYS 48 N -0.63 1.09 -0.03 3.49 0.00 -1.26 -4.06 119.74 118.34 1orm s LYS 48 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 55.97 55.82 1orm s LYS 48 Cb 0.00 -1.88 0.01 0.00 0.00 0.00 0.00 37.83 35.96 1orm s LYS 48 CO 0.00 -2.15 -0.07 0.45 0.00 0.00 0.00 175.35 173.58 1orm s SER 49 N -4.70 1.00 -0.30 0.03 0.15 -1.26 -4.81 113.70 103.82 1orm s SER 49 Ca 0.69 -0.15 -0.26 0.00 0.70 0.00 0.00 55.95 56.93 1orm s SER 49 Cb -0.07 -0.30 0.20 0.00 -1.71 0.00 0.00 66.02 64.14 1orm s SER 49 CO 0.52 0.03 1.47 0.00 1.20 0.00 0.00 173.24 176.45 1orm s ARG 50 N 0.32 0.00 0.00 5.44 1.70 -1.26 -5.06 118.95 120.09 1orm s ARG 50 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 55.73 55.22 1orm s ARG 50 Cb -0.09 0.00 0.00 0.00 -0.57 0.00 0.00 34.95 34.29 1orm s ARG 50 CO 0.00 -0.00 0.00 0.25 -1.08 0.00 0.00 175.30 174.47 1orm n THR 51 N 1.16 0.00 0.14 4.99 -2.24 -1.26 -4.26 114.28 112.81 1orm n THR 51 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1orm n THR 51 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1orm n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1orm n ALA 52 N -3.00 2.47 -2.67 6.98 0.00 -1.25 -4.97 120.51 118.07 1orm n ALA 52 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1orm n ALA 52 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 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 -3.33 -1.38 -2.80 0.00 2.88 -1.26 -5.01 113.62 102.73 1orm n SER 53 Ca 0.00 -2.11 -0.06 0.00 -1.33 0.00 0.00 58.87 55.37 1orm n SER 53 Cb 0.00 1.26 0.03 0.00 -0.75 0.00 0.00 64.21 64.74 1orm n SER 53 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1orm n SER 54 N 0.42 -6.05 0.18 -3.46 7.64 -1.26 -4.92 113.62 106.17 1orm n SER 54 Ca -0.05 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.51 1orm n SER 54 Cb 0.75 -4.27 0.00 0.00 -1.01 0.00 0.00 64.21 59.68 1orm n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1orm n GLY 55 N -1.43 -1.53 3.26 0.23 0.00 -1.26 -5.07 105.19 99.38 1orm n GLY 55 Ca -0.03 0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 5.33 -0.08 1.61 1.01 -1.26 -4.51 116.67 116.77 1orm s ASP 56 Ca 0.00 -1.22 0.01 0.00 0.71 0.00 0.00 52.55 52.05 1orm s ASP 56 Cb 0.00 -1.87 -0.03 0.00 1.01 0.00 0.00 42.92 42.03 1orm s ASP 56 CO 0.00 -0.35 -0.08 -0.31 0.21 0.00 0.00 175.17 174.63 1orm s TYR 57 N 1.39 2.90 0.00 4.23 1.51 -1.26 -3.81 117.35 122.30 1orm s TYR 57 Ca -0.01 -0.08 0.00 0.00 -1.01 0.00 0.00 57.07 55.97 1orm s TYR 57 Cb -0.20 -1.73 0.00 0.00 -0.11 0.00 0.00 41.96 39.92 1orm s TYR 57 CO 0.02 0.24 0.00 0.09 -1.11 0.00 0.00 175.55 174.79 1orm n ASN 58 N 2.44 0.00 -4.08 2.29 4.13 -1.26 -4.02 115.26 114.75 1orm n ASN 58 Ca -0.18 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 55.80 1orm n ASN 58 Cb 0.53 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.73 1orm n ASN 58 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1orm n LYS 59 N 0.00 -2.76 -3.70 3.52 2.85 -1.26 -4.47 118.16 112.35 1orm n LYS 59 Ca 0.00 0.33 -0.15 0.00 -1.05 0.00 0.00 58.31 57.44 1orm n LYS 59 Cb 0.00 -4.44 -0.15 0.00 -0.65 0.00 0.00 35.03 29.79 1orm n LYS 59 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1orm s ASN 60 N -4.17 0.39 0.00 -5.58 4.22 -1.26 -4.73 114.94 103.81 1orm s ASN 60 Ca 0.14 0.36 0.00 0.00 -2.14 0.00 0.00 52.86 51.22 1orm s ASN 60 Cb -0.08 0.30 0.00 0.00 1.28 0.00 0.00 41.25 42.75 1orm s ASN 60 CO 0.92 -0.21 0.00 1.67 -2.04 0.00 0.00 177.10 177.44 1orm n GLN 61 N 4.92 0.00 -2.96 3.55 7.27 -1.26 -4.89 117.38 124.00 1orm n GLN 61 Ca -0.13 0.00 -0.44 0.00 0.07 0.00 0.00 57.00 56.50 1orm n GLN 61 Cb 0.51 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.14 1orm n GLN 61 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 1orm s TYR 62 N 0.00 3.25 -0.30 3.69 6.14 -1.26 -3.94 117.35 124.93 1orm s TYR 62 Ca 0.00 -1.58 0.01 0.00 0.64 0.00 0.00 57.07 56.14 1orm s TYR 62 Cb 0.00 -4.25 0.07 0.00 0.42 0.00 0.00 41.96 38.20 1orm s TYR 62 CO 0.00 -1.43 -0.02 -0.47 0.64 0.00 0.00 175.55 174.27 1orm s TYR 63 N 2.26 3.38 0.16 4.97 5.04 -1.24 -3.79 117.35 128.12 1orm s TYR 63 Ca 0.33 -2.31 -0.04 0.00 -2.44 0.00 0.00 57.07 52.61 1orm s TYR 63 Cb -0.05 -2.27 0.01 0.00 0.35 0.00 0.00 41.96 40.01 1orm s TYR 63 CO -0.08 -0.88 0.27 0.41 -1.34 0.00 0.00 175.55 173.94 1orm n GLY 64 N 4.47 2.09 3.11 8.97 0.00 -1.26 -4.43 105.19 118.14 1orm n GLY 64 Ca -0.10 -1.28 -0.18 0.00 0.00 0.00 0.00 46.02 44.46 1orm n GLY 64 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1orm s ILE 65 N -2.61 0.95 0.29 -0.61 -4.36 -1.23 -4.83 121.20 108.81 1orm s ILE 65 Ca 0.09 -0.95 0.11 0.00 -0.26 0.00 0.00 60.65 59.64 1orm s ILE 65 Cb -0.01 -0.88 -0.05 0.00 1.25 0.00 0.00 42.46 42.76 1orm s ILE 65 CO 0.07 -0.06 -0.16 0.42 0.24 0.00 0.00 174.94 175.45 1orm s THR 66 N -0.88 2.48 -0.20 8.37 -4.23 -1.26 -2.43 115.64 117.49 1orm s THR 66 Ca -0.00 -2.33 -0.04 0.00 -1.18 0.00 0.00 61.69 58.13 1orm s THR 66 Cb -0.08 -2.41 0.10 0.00 1.34 0.00 0.00 72.50 71.45 1orm s THR 66 CO 0.01 -0.35 0.32 0.00 -0.54 0.00 0.00 174.62 174.05 1orm s ALA 67 N -2.52 -0.77 0.00 3.99 0.00 -1.26 -4.83 121.76 116.37 1orm s ALA 67 Ca 0.31 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1orm s ALA 67 Cb -0.03 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.70 1orm s ALA 67 CO 0.16 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.29 1orm n GLY 68 N 5.35 -1.58 3.78 0.00 0.00 -1.26 -4.15 105.19 107.33 1orm n GLY 68 Ca -0.05 0.81 -0.29 0.00 0.00 0.00 0.00 46.02 46.48 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 0.48 0.33 1.61 0.04 -1.26 -4.72 135.00 131.48 1orm s PRO 69 Ca 0.00 0.05 -0.21 0.00 0.04 0.00 0.00 61.00 60.87 1orm s PRO 69 Cb 0.00 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.66 1orm s PRO 69 CO 0.00 -2.60 0.86 0.00 0.04 0.00 0.00 177.00 175.30 1orm s ALA 70 N -3.36 3.23 0.41 8.56 0.00 -1.26 -5.01 121.76 124.33 1orm s ALA 70 Ca 0.68 0.33 0.04 0.00 0.00 0.00 0.00 51.96 53.00 1orm s ALA 70 Cb -0.11 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1orm s ALA 70 CO 0.54 0.22 0.13 -0.47 0.00 0.00 0.00 175.76 176.18 1orm s TYR 71 N -1.81 1.79 0.72 0.00 5.04 -1.26 -4.76 117.35 117.08 1orm s TYR 71 Ca 0.52 -1.28 -0.12 0.00 -2.44 0.00 0.00 57.07 53.75 1orm s TYR 71 Cb -0.14 -1.16 0.17 0.00 0.35 0.00 0.00 41.96 41.19 1orm s TYR 71 CO 0.19 -0.30 0.77 0.54 -1.34 0.00 0.00 175.55 175.41 1orm n ARG 72 N -0.91 -1.74 -2.09 4.97 1.74 -1.26 -4.87 116.66 112.51 1orm n ARG 72 Ca -0.06 -1.21 -0.41 0.00 -0.77 0.00 0.00 57.85 55.40 1orm n ARG 72 Cb 0.65 -0.98 -0.02 0.00 -1.02 0.00 0.00 32.46 31.09 1orm n ARG 72 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1orm s ILE 73 N -2.53 2.74 0.03 0.55 2.07 -1.26 -4.73 121.20 118.06 1orm s ILE 73 Ca 0.47 0.69 0.00 0.00 -1.41 0.00 0.00 60.65 60.40 1orm s ILE 73 Cb -0.03 -3.44 0.00 0.00 0.13 0.00 0.00 42.46 39.12 1orm s ILE 73 CO 0.35 0.14 0.00 0.59 -1.91 0.00 0.00 174.94 174.11 1orm n ASN 74 N 1.41 -0.25 -0.08 4.50 4.13 -1.26 -4.98 115.26 118.73 1orm n ASN 74 Ca 0.03 0.06 -0.10 0.00 1.68 0.00 0.00 54.58 56.25 1orm n ASN 74 Cb 0.41 0.57 -0.04 0.00 -1.54 0.00 0.00 39.78 39.18 1orm n ASN 74 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1orm n ASP 75 N -2.43 1.84 0.00 6.41 9.92 -1.26 -4.94 116.55 126.09 1orm n ASP 75 Ca 0.00 0.53 0.00 0.00 -0.53 0.00 0.00 54.79 54.79 1orm n ASP 75 Cb 0.00 -0.87 0.00 0.00 -0.64 0.00 0.00 41.12 39.61 1orm n ASP 75 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 1orm n TRP 76 N -4.54 0.00 0.00 1.24 -0.00 -1.26 -5.00 117.44 107.89 1orm n TRP 76 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.34 1orm n TRP 76 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.73 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 0.00 0.00 -2.13 5.87 0.00 -1.26 -4.87 120.51 118.11 1orm n ALA 77 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1orm n ALA 77 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 6.91 -0.27 0.00 1.04 -1.26 -4.74 113.70 115.38 1orm s SER 78 Ca 0.00 2.30 -0.06 0.00 0.48 0.00 0.00 55.95 58.67 1orm s SER 78 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1orm s SER 78 CO 0.00 -0.55 0.05 -0.63 0.98 0.00 0.00 173.24 173.08 1orm s ILE 79 N 0.62 3.81 0.40 -1.02 -1.09 -1.26 -4.67 121.20 117.98 1orm s ILE 79 Ca 0.60 -0.63 -0.06 0.00 -2.23 0.00 0.00 60.65 58.33 1orm s ILE 79 Cb -0.35 -2.90 -0.05 0.00 -1.58 0.00 0.00 42.46 37.58 1orm s ILE 79 CO 0.34 0.18 0.70 -0.47 -1.23 0.00 0.00 174.94 174.45 1orm s TYR 80 N 1.49 3.51 0.00 3.97 6.14 -1.26 -4.34 117.35 126.87 1orm s TYR 80 Ca 0.03 0.77 0.00 0.00 0.64 0.00 0.00 57.07 58.52 1orm s TYR 80 Cb -0.16 -2.24 0.00 0.00 0.42 0.00 0.00 41.96 39.98 1orm s TYR 80 CO 0.01 -0.08 0.00 0.41 0.64 0.00 0.00 175.55 176.53 1orm n GLY 81 N -1.64 0.00 3.46 8.97 0.00 -1.26 -4.90 105.19 109.82 1orm n GLY 81 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1orm n GLY 81 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1orm n VAL 82 N 0.00 4.21 -2.95 1.61 3.14 -1.26 -4.34 118.33 118.74 1orm n VAL 82 Ca 0.00 -4.62 -0.44 0.00 -2.96 0.00 0.00 64.34 56.32 1orm n VAL 82 Cb 0.00 -2.45 0.00 0.00 -1.06 0.00 0.00 33.84 30.34 1orm n VAL 82 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1orm n VAL 83 N 4.83 4.52 -2.76 1.55 3.14 -1.26 -3.92 118.33 124.42 1orm n VAL 83 Ca 0.39 -5.02 -0.43 0.00 -2.96 0.00 0.00 64.34 56.32 1orm n VAL 83 Cb 0.43 -2.43 -0.03 0.00 -1.06 0.00 0.00 33.84 30.75 1orm n VAL 83 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1orm s GLY 84 N 1.38 1.54 -0.81 7.55 0.00 -1.26 -4.01 107.32 111.70 1orm s GLY 84 Ca 0.37 -0.41 -0.12 0.00 0.00 0.00 0.00 44.72 44.56 1orm s GLY 84 CO -0.01 2.09 0.74 0.14 0.00 0.00 0.00 173.10 176.06 1orm s VAL 85 N 3.61 5.34 -0.10 1.40 1.01 -1.02 -3.66 120.40 126.99 1orm s VAL 85 Ca 0.40 -2.61 -0.30 0.00 0.00 0.00 0.00 61.98 59.47 1orm s VAL 85 Cb -0.11 -4.31 0.12 0.00 0.00 0.00 0.00 36.38 32.07 1orm s VAL 85 CO 0.20 -1.01 0.97 -0.83 0.00 0.00 0.00 175.10 174.43 1orm s GLY 86 N 1.87 -0.35 0.00 4.51 0.00 -1.26 -3.51 107.32 108.58 1orm s GLY 86 Ca 0.18 1.56 0.00 0.00 0.00 0.00 0.00 44.72 46.47 1orm s GLY 86 CO -0.08 0.69 0.00 2.98 0.00 0.00 0.00 173.10 176.69 1orm n TYR 87 N 0.24 0.00 -2.08 1.90 9.36 -1.26 -4.45 117.16 120.87 1orm n TYR 87 Ca -0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.14 1orm n TYR 87 Cb 0.60 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.31 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 0.50 1.51 3.32 2.98 0.00 -1.26 -3.72 105.19 108.52 1orm n GLY 88 Ca 0.00 -2.01 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 1orm n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1orm s LYS 89 N 0.82 1.11 -0.15 1.61 2.20 -1.25 -4.78 119.74 119.30 1orm s LYS 89 Ca 0.00 -1.12 -0.01 0.00 -0.36 0.00 0.00 55.97 54.48 1orm s LYS 89 Cb 0.00 0.38 -0.02 0.00 -1.51 0.00 0.00 37.83 36.68 1orm s LYS 89 CO 0.00 -0.40 -0.10 -0.59 -0.36 0.00 0.00 175.35 173.90 1orm s PHE 90 N -3.94 2.87 -0.43 4.03 -0.12 -1.26 -4.06 117.98 115.07 1orm s PHE 90 Ca 0.15 -0.61 0.04 0.00 -0.05 0.00 0.00 56.93 56.45 1orm s PHE 90 Cb 0.03 -1.90 0.47 0.00 -0.63 0.00 0.00 43.02 41.00 1orm s PHE 90 CO -0.02 -0.22 1.56 0.94 -0.05 0.00 0.00 175.22 177.43 1orm n GLN 91 N 3.67 2.92 -1.78 1.99 -0.06 -1.26 -4.96 117.38 117.90 1orm n GLN 91 Ca -0.18 -3.65 -0.19 0.00 -2.00 0.00 0.00 57.00 50.98 1orm n GLN 91 Cb 0.52 -2.19 -0.07 0.00 -4.06 0.00 0.00 30.24 24.44 1orm n GLN 91 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1orm s THR 92 N -4.39 3.21 -0.38 1.69 2.01 -1.26 -4.25 115.64 112.26 1orm s THR 92 Ca 0.55 -0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.37 1orm s THR 92 Cb 0.45 -3.57 0.11 0.00 0.01 0.00 0.00 72.50 69.50 1orm s THR 92 CO 0.02 -0.43 0.12 0.28 -0.69 0.00 0.00 174.62 173.92 1orm s THR 93 N 13.03 1.91 0.00 -0.82 -1.32 -1.26 -4.58 115.64 122.60 1orm s THR 93 Ca 0.82 -2.34 0.00 0.00 -1.21 0.00 0.00 61.69 58.95 1orm s THR 93 Cb -0.09 -2.39 0.00 0.00 -1.51 0.00 0.00 72.50 68.51 1orm s THR 93 CO 0.06 -0.69 0.00 1.21 -2.21 0.00 0.00 174.62 172.99 1orm n GLU 94 N 4.08 0.00 -2.73 7.08 2.13 -1.26 -5.00 120.64 124.95 1orm n GLU 94 Ca 0.03 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.64 1orm n GLU 94 Cb 0.39 -0.06 0.10 0.00 0.27 0.00 0.00 31.44 32.14 1orm n GLU 94 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1orm n TYR 95 N -1.98 -2.68 0.17 4.31 4.02 -1.26 -5.01 117.16 114.73 1orm n TYR 95 Ca 0.00 -1.90 0.05 0.00 -0.01 0.00 0.00 57.90 56.03 1orm n TYR 95 Cb 0.00 -0.66 0.23 0.00 -0.02 0.00 0.00 39.34 38.89 1orm n TYR 95 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1orm h PRO 96 N 0.00 0.00 -1.15 -0.72 0.13 -2.01 -3.39 132.00 124.86 1orm h PRO 96 Ca -0.31 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.63 1orm h PRO 96 Cb 1.23 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.18 1orm h PRO 96 CO 0.37 0.42 -0.54 -0.08 -0.23 0.00 0.00 178.00 177.94 1orm s THR 97 N -3.36 -0.86 0.01 1.56 -1.32 -1.26 -5.14 115.64 105.26 1orm s THR 97 Ca 0.01 -1.09 0.04 0.00 -1.21 0.00 0.00 61.69 59.45 1orm s THR 97 Cb 0.10 -0.13 -0.01 0.00 -1.51 0.00 0.00 72.50 70.94 1orm s THR 97 CO 0.71 -0.13 -0.12 -0.47 -2.21 0.00 0.00 174.62 172.40 1orm s TYR 98 N 0.87 1.04 -0.27 9.09 5.04 -1.26 -5.14 117.35 126.72 1orm s TYR 98 Ca 0.29 -0.25 -0.24 0.00 -2.44 0.00 0.00 57.07 54.43 1orm s TYR 98 Cb -0.00 -0.65 0.07 0.00 0.35 0.00 0.00 41.96 41.73 1orm s TYR 98 CO -0.07 -0.01 0.71 -1.59 -1.34 0.00 0.00 175.55 173.26 1orm s LYS 99 N -0.57 0.82 0.10 4.97 -2.85 -1.26 -4.73 119.74 116.21 1orm s LYS 99 Ca 0.03 1.02 -0.15 0.00 -1.00 0.00 0.00 55.97 55.87 1orm s LYS 99 Cb -0.06 0.38 -0.08 0.00 -2.06 0.00 0.00 37.83 36.02 1orm s LYS 99 CO 0.00 -0.11 1.44 -0.97 0.10 0.00 0.00 175.35 175.82 1orm h ASN 100 N 5.22 0.70 -5.91 0.03 -1.24 -1.93 -3.48 115.58 108.97 1orm h ASN 100 Ca -0.29 -0.44 -0.19 0.00 0.71 0.00 0.00 56.30 56.09 1orm h ASN 100 Cb 1.17 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 40.03 1orm h ASN 100 CO 0.06 0.99 -0.59 -0.67 -1.29 0.00 0.00 177.43 175.94 1orm n ASP 101 N -4.33 -6.69 -2.70 1.15 2.03 -1.26 -4.95 116.55 99.80 1orm n ASP 101 Ca -0.03 -0.20 -0.02 0.00 0.52 0.00 0.00 54.79 55.05 1orm n ASP 101 Cb 0.42 -3.79 0.11 0.00 -0.72 0.00 0.00 41.12 37.15 1orm n ASP 101 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1orm n THR 102 N -1.46 0.21 -3.70 5.18 5.66 -1.26 -5.11 114.28 113.80 1orm n THR 102 Ca -0.08 -1.38 -0.12 0.00 -3.05 0.00 0.00 64.05 59.43 1orm n THR 102 Cb 0.57 1.04 -0.10 0.00 -1.55 0.00 0.00 70.33 70.30 1orm n THR 102 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1orm s SER 103 N -1.58 -0.53 0.45 1.09 0.15 -1.26 -5.02 113.70 106.99 1orm s SER 103 Ca 0.13 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.75 1orm s SER 103 Cb 0.43 0.93 0.00 0.00 -1.71 0.00 0.00 66.02 65.67 1orm s SER 103 CO -0.11 -0.18 0.00 -0.67 1.20 0.00 0.00 173.24 173.48 1orm n ASP 104 N 3.39 -3.94 -3.56 5.45 4.64 -1.26 -5.04 116.55 116.22 1orm n ASP 104 Ca -0.17 0.86 -0.12 0.00 -1.38 0.00 0.00 54.79 53.98 1orm n ASP 104 Cb 0.56 3.68 -0.05 0.00 -1.04 0.00 0.00 41.12 44.27 1orm n ASP 104 CO 0.00 0.00 0.00 -0.72 -0.82 0.00 0.00 177.20 175.66 1orm s TYR 105 N -1.91 -0.42 0.00 -0.67 1.13 -1.26 -4.64 117.35 109.58 1orm s TYR 105 Ca 0.00 0.71 0.00 0.00 -1.41 0.00 0.00 57.07 56.37 1orm s TYR 105 Cb 0.00 0.45 0.00 0.00 -1.10 0.00 0.00 41.96 41.31 1orm s TYR 105 CO 0.00 -0.40 0.00 0.41 -2.51 0.00 0.00 175.55 173.05 1orm n GLY 106 N 0.72 3.82 3.38 5.49 0.00 -1.26 -4.99 105.19 112.34 1orm n GLY 106 Ca -0.12 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.49 1orm n GLY 106 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1orm s PHE 107 N 3.85 -0.91 0.23 1.61 0.08 -1.26 -4.94 117.98 116.63 1orm s PHE 107 Ca 0.00 1.38 0.06 0.00 0.12 0.00 0.00 56.93 58.49 1orm s PHE 107 Cb 0.00 0.47 -0.03 0.00 -0.57 0.00 0.00 43.02 42.89 1orm s PHE 107 CO 0.00 -0.47 0.25 -1.12 -0.10 0.00 0.00 175.22 173.78 1orm s SER 108 N 2.68 5.84 -0.16 1.36 0.01 -1.24 -4.30 113.70 117.89 1orm s SER 108 Ca 0.00 -0.11 -0.30 0.00 1.31 0.00 0.00 55.95 56.85 1orm s SER 108 Cb -0.09 -1.59 0.13 0.00 0.21 0.00 0.00 66.02 64.68 1orm s SER 108 CO -0.17 -0.03 1.04 -0.72 0.41 0.00 0.00 173.24 173.77 1orm s TYR 109 N -2.02 -0.31 0.00 2.43 -0.85 -1.25 -4.44 117.35 110.90 1orm s TYR 109 Ca 0.33 0.47 0.00 0.00 -0.52 0.00 0.00 57.07 57.36 1orm s TYR 109 Cb -0.09 0.47 0.00 0.00 0.38 0.00 0.00 41.96 42.72 1orm s TYR 109 CO 0.26 -0.32 0.00 0.41 -1.52 0.00 0.00 175.55 174.38 1orm n GLY 110 N 0.53 2.69 0.00 5.49 0.00 -1.24 -4.13 105.19 108.53 1orm n GLY 110 Ca -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 0.00 -4.07 4.61 0.00 -1.26 -4.02 120.51 115.77 1orm n ALA 111 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1orm n ALA 111 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1orm n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1orm n GLY 112 N 0.00 -0.36 3.02 0.00 0.00 -1.26 -4.88 105.19 101.70 1orm n GLY 112 Ca 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1orm n GLY 112 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1orm s LEU 113 N -7.15 -0.66 -0.02 0.99 2.96 -1.26 -4.93 118.68 108.61 1orm s LEU 113 Ca 0.44 0.46 0.05 0.00 -0.22 0.00 0.00 54.13 54.86 1orm s LEU 113 Cb -0.23 1.21 -0.01 0.00 0.50 0.00 0.00 46.19 47.65 1orm s LEU 113 CO 0.90 -0.28 -0.17 -1.58 -1.32 0.00 0.00 176.35 173.90 1orm s GLN 114 N 2.57 1.45 -0.01 1.98 0.74 -1.26 -4.02 119.66 121.11 1orm s GLN 114 Ca 0.09 -0.62 -0.03 0.00 0.05 0.00 0.00 55.36 54.85 1orm s GLN 114 Cb -0.14 -1.38 -0.00 0.00 1.10 0.00 0.00 33.01 32.59 1orm s GLN 114 CO -0.15 0.36 0.06 -0.06 -0.55 0.00 0.00 175.29 174.95 1orm s PHE 115 N -0.35 0.03 -0.28 1.67 0.40 -1.26 -5.03 117.98 113.15 1orm s PHE 115 Ca 0.05 -0.05 -0.22 0.00 -0.60 0.00 0.00 56.93 56.11 1orm s PHE 115 Cb -0.07 -0.04 0.13 0.00 0.51 0.00 0.00 43.02 43.54 1orm s PHE 115 CO -0.00 -0.13 1.01 0.54 0.70 0.00 0.00 175.22 177.34 1orm s ASN 116 N -0.63 -0.47 0.00 1.36 2.20 -1.26 -4.62 114.94 111.52 1orm s ASN 116 Ca -0.07 0.86 0.00 0.00 -0.94 0.00 0.00 52.86 52.71 1orm s ASN 116 Cb -0.04 0.97 0.00 0.00 -2.00 0.00 0.00 41.25 40.18 1orm s ASN 116 CO 0.00 -0.14 0.23 -0.81 -2.94 0.00 0.00 177.10 173.44 1orm n PRO 117 N 2.69 0.00 0.00 3.55 -0.04 -1.26 -4.96 135.00 134.98 1orm n PRO 117 Ca -0.14 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1orm n PRO 117 Cb 0.56 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 1orm n PRO 117 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1orm n MET 118 N -1.75 0.00 0.00 0.54 1.56 -1.26 -5.10 117.12 111.11 1orm n MET 118 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1orm n MET 118 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 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 0.00 0.00 -1.37 2.12 1.02 -1.26 -5.05 120.64 116.10 1orm n GLU 119 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 1orm n GLU 119 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 1orm n GLU 119 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1orm n ASN 120 N -0.28 -0.55 -4.90 1.62 2.85 -1.26 -5.14 115.26 107.60 1orm n ASN 120 Ca 0.00 -1.22 -0.34 0.00 -0.11 0.00 0.00 54.58 52.91 1orm n ASN 120 Cb 0.00 0.22 -0.05 0.00 1.24 0.00 0.00 39.78 41.19 1orm n ASN 120 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1orm s VAL 121 N 0.03 5.43 -0.30 3.44 0.11 -1.26 -4.61 120.40 123.23 1orm s VAL 121 Ca 0.02 -0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 58.99 1orm s VAL 121 Cb 0.10 -3.52 0.19 0.00 -1.53 0.00 0.00 36.38 31.62 1orm s VAL 121 CO -0.03 0.38 0.75 0.00 -3.33 0.00 0.00 175.10 172.87 1orm s ALA 122 N -1.27 -2.74 0.37 1.54 0.00 -1.26 -4.76 121.76 113.64 1orm s ALA 122 Ca 0.25 1.54 0.05 0.00 0.00 0.00 0.00 51.96 53.80 1orm s ALA 122 Cb -0.13 -2.39 -0.06 0.00 0.00 0.00 0.00 23.12 20.54 1orm s ALA 122 CO 0.16 -1.53 0.04 -0.48 0.00 0.00 0.00 175.76 173.95 1orm s LEU 123 N 2.89 2.44 -0.27 0.00 0.05 -1.26 -4.58 118.68 117.94 1orm s LEU 123 Ca 0.14 -1.41 -0.00 0.00 0.05 0.00 0.00 54.13 52.90 1orm s LEU 123 Cb -0.12 -0.58 0.14 0.00 -2.05 0.00 0.00 46.19 43.58 1orm s LEU 123 CO -0.20 -0.59 0.34 -0.62 -0.55 0.00 0.00 176.35 174.74 1orm s ASP 124 N -3.60 0.95 0.00 1.48 -1.08 -1.26 -4.65 116.67 108.50 1orm s ASP 124 Ca 0.33 -0.41 0.00 0.00 -0.52 0.00 0.00 52.55 51.95 1orm s ASP 124 Cb 0.08 0.82 0.00 0.00 -1.46 0.00 0.00 42.92 42.36 1orm s ASP 124 CO 0.16 -0.36 0.00 0.49 0.52 0.00 0.00 175.17 175.98 1orm n PHE 125 N 5.34 0.00 0.00 -5.34 3.72 -1.26 -4.86 117.46 115.06 1orm n PHE 125 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1orm n PHE 125 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1orm n PHE 125 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1orm n SER 126 N 0.79 0.00 -4.18 4.37 2.88 -1.26 -4.52 113.62 111.70 1orm n SER 126 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 1orm n SER 126 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 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 0.00 1.56 -0.40 0.66 2.02 -1.26 -4.15 117.35 115.78 1orm s TYR 127 Ca 0.00 -0.32 0.07 0.00 -0.37 0.00 0.00 57.07 56.44 1orm s TYR 127 Cb 0.00 -0.97 0.22 0.00 -0.40 0.00 0.00 41.96 40.81 1orm s TYR 127 CO 0.00 0.02 0.47 -1.91 -1.57 0.00 0.00 175.55 172.55 1orm n GLU 128 N 2.32 0.52 -4.57 -0.62 2.13 -1.14 -3.67 120.64 115.60 1orm n GLU 128 Ca -0.16 -3.15 -0.27 0.00 0.66 0.00 0.00 57.16 54.24 1orm n GLU 128 Cb 0.54 -1.38 -0.09 0.00 0.27 0.00 0.00 31.44 30.78 1orm n GLU 128 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 1orm s GLN 129 N -0.66 1.96 0.00 5.31 -2.07 -1.26 -4.61 119.66 118.32 1orm s GLN 129 Ca 0.34 -2.19 0.00 0.00 -1.82 0.00 0.00 55.36 51.69 1orm s GLN 129 Cb 0.12 -0.95 0.00 0.00 -1.09 0.00 0.00 33.01 31.09 1orm s GLN 129 CO -0.14 -0.38 0.00 -1.13 -1.32 0.00 0.00 175.29 172.32 1orm n SER 130 N -1.18 0.00 -3.19 12.60 3.41 -1.26 -3.94 113.62 120.07 1orm n SER 130 Ca -0.09 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.36 1orm n SER 130 Cb 0.66 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.56 1orm n SER 130 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1orm s ARG 131 N 0.00 1.93 -0.46 4.33 1.81 -1.26 -4.85 118.95 120.46 1orm s ARG 131 Ca 0.00 -1.84 -0.03 0.00 -1.72 0.00 0.00 55.73 52.14 1orm s ARG 131 Cb 0.00 0.43 0.15 0.00 -0.45 0.00 0.00 34.95 35.07 1orm s ARG 131 CO 0.00 -0.79 2.48 1.51 -0.68 0.00 0.00 175.30 177.81 1orm n ILE 132 N -0.60 3.22 -1.99 1.52 3.06 -1.26 -4.73 119.36 118.58 1orm n ILE 132 Ca 0.02 -2.72 -0.14 0.00 -2.50 0.00 0.00 62.75 57.42 1orm n ILE 132 Cb 0.61 -1.47 -0.03 0.00 0.54 0.00 0.00 39.64 39.29 1orm n ILE 132 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1orm n ARG 133 N 0.52 -1.78 -0.03 9.51 3.00 -1.26 -4.74 116.66 121.88 1orm n ARG 133 Ca 0.45 0.72 -0.02 0.00 -0.01 0.00 0.00 57.85 58.99 1orm n ARG 133 Cb 0.54 -5.18 -0.06 0.00 0.00 0.00 0.00 32.46 27.76 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 -1.28 3.01 -4.02 0.55 2.88 -1.26 -5.02 113.62 108.48 1orm n SER 134 Ca -0.15 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.25 1orm n SER 134 Cb 0.55 0.86 -0.12 0.00 -0.75 0.00 0.00 64.21 64.74 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 -2.29 0.48 -0.22 2.46 1.01 -1.26 -4.98 120.40 115.60 1orm s VAL 135 Ca -0.04 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1orm s VAL 135 Cb 0.03 -0.51 0.05 0.00 0.00 0.00 0.00 36.38 35.95 1orm s VAL 135 CO 0.34 -0.21 -0.09 1.51 0.00 0.00 0.00 175.10 176.64 1orm s ASP 136 N -1.07 3.76 0.33 3.32 -4.77 -1.26 -4.50 116.67 112.47 1orm s ASP 136 Ca -0.06 -1.08 -0.04 0.00 -3.30 0.00 0.00 52.55 48.07 1orm s ASP 136 Cb -0.07 -1.30 -0.05 0.00 -1.09 0.00 0.00 42.92 40.41 1orm s ASP 136 CO 0.00 -0.18 0.59 -0.69 0.70 0.00 0.00 175.17 175.60 1orm s VAL 137 N 1.32 5.01 -0.45 2.11 1.01 -1.25 -4.46 120.40 123.69 1orm s VAL 137 Ca -0.04 -0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.02 1orm s VAL 137 Cb -0.18 -3.78 0.30 0.00 0.00 0.00 0.00 36.38 32.73 1orm s VAL 137 CO -0.07 -0.45 0.70 0.61 0.00 0.00 0.00 175.10 175.89 1orm n GLY 138 N -1.31 3.89 3.48 4.51 0.00 -1.26 -4.80 105.19 109.70 1orm n GLY 138 Ca -0.02 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 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 -2.38 4.95 -0.73 2.61 2.01 -1.26 -4.46 115.64 116.39 1orm s THR 139 Ca 0.40 -0.28 -0.18 0.00 0.31 0.00 0.00 61.69 61.95 1orm s THR 139 Cb 0.25 -4.17 0.14 0.00 0.01 0.00 0.00 72.50 68.73 1orm s THR 139 CO -0.09 -0.60 0.81 0.26 -0.69 0.00 0.00 174.62 174.31 1orm s TRP 140 N 2.48 3.22 0.24 4.92 0.51 -1.26 -2.90 118.94 126.15 1orm s TRP 140 Ca 0.16 -1.33 -0.09 0.00 -2.12 0.00 0.00 56.10 52.72 1orm s TRP 140 Cb -0.17 -4.02 -0.07 0.00 -0.81 0.00 0.00 33.47 28.40 1orm s TRP 140 CO 0.14 -1.26 0.56 -1.50 -0.51 0.00 0.00 176.95 174.38 1orm s ILE 141 N 2.03 4.93 -0.30 2.03 1.10 -1.26 -4.64 121.20 125.09 1orm s ILE 141 Ca 0.18 0.46 -0.09 0.00 -0.51 0.00 0.00 60.65 60.68 1orm s ILE 141 Cb -0.16 -3.63 0.14 0.00 0.15 0.00 0.00 42.46 38.96 1orm s ILE 141 CO -0.01 -0.10 0.66 0.00 -2.11 0.00 0.00 174.94 173.39 1orm s ALA 142 N -1.85 -2.13 -0.60 1.50 0.00 -1.26 -4.06 121.76 113.37 1orm s ALA 142 Ca 0.47 2.24 -0.22 0.00 0.00 0.00 0.00 51.96 54.46 1orm s ALA 142 Cb -0.11 -1.87 0.07 0.00 0.00 0.00 0.00 23.12 21.21 1orm s ALA 142 CO 0.22 -1.00 0.85 0.20 0.00 0.00 0.00 175.76 176.02 1orm s GLY 143 N 2.87 1.53 -0.21 0.00 0.00 -1.26 -4.65 107.32 105.59 1orm s GLY 143 Ca -0.01 -1.78 -0.17 0.00 0.00 0.00 0.00 44.72 42.75 1orm s GLY 143 CO -0.19 1.86 0.48 0.14 0.00 0.00 0.00 173.10 175.38 1orm s VAL 144 N 3.51 5.13 -2.96 1.40 1.01 -1.26 -4.14 120.40 123.09 1orm s VAL 144 Ca 0.20 0.85 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1orm s VAL 144 Cb -0.18 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1orm s VAL 144 CO 0.11 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1orm n GLY 145 N 4.02 -0.98 3.64 4.51 0.00 -1.26 -4.01 105.19 111.11 1orm n GLY 145 Ca -0.06 -0.99 -0.05 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.00 -0.21 0.13 1.61 1.13 -1.26 -4.00 117.35 111.76 1orm s TYR 146 Ca 0.00 -0.00 -0.16 0.00 -1.41 0.00 0.00 57.07 55.49 1orm s TYR 146 Cb 0.00 0.59 -0.07 0.00 -1.10 0.00 0.00 41.96 41.38 1orm s TYR 146 CO 0.00 -0.65 0.57 -0.98 -2.51 0.00 0.00 175.55 171.98 1orm s ARG 147 N -3.12 4.08 0.00 -3.49 1.04 -1.26 -4.10 118.95 112.10 1orm s ARG 147 Ca 0.09 0.61 0.00 0.00 -1.04 0.00 0.00 55.73 55.39 1orm s ARG 147 Cb -0.01 -3.03 0.00 0.00 -2.04 0.00 0.00 34.95 29.87 1orm s ARG 147 CO -0.03 0.53 0.25 0.34 -0.04 0.00 0.00 175.30 176.34