#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mdy h MET 1 N 0.00 0.00 -0.55 4.33 3.00 -2.04 -3.25 114.93 116.42 3mdy h MET 1 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 59.70 59.68 3mdy h MET 1 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 31.60 31.57 3mdy h MET 1 CO 0.00 0.00 0.27 0.78 0.00 0.00 0.00 176.91 177.96 3mdy h GLY 2 N 2.96 0.83 -7.36 -3.00 0.00 -1.98 -3.39 103.07 91.13 3mdy h GLY 2 Ca 0.00 -0.38 -0.62 0.00 0.00 0.00 0.00 47.33 46.32 3mdy h GLY 2 CO 0.00 0.37 -0.72 0.14 0.00 0.00 0.00 176.54 176.32 3mdy s VAL 3 N -5.45 1.71 -0.04 4.60 1.01 -1.23 -0.50 120.40 120.50 3mdy s VAL 3 Ca -0.10 -2.18 -0.22 0.00 0.00 0.00 0.00 61.98 59.48 3mdy s VAL 3 Cb 0.17 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 3mdy s VAL 3 CO 0.77 -0.70 0.66 -1.10 0.00 0.00 0.00 175.10 174.73 3mdy s GLN 4 N 0.91 4.40 -0.28 2.72 -0.21 -0.20 -4.75 119.66 122.24 3mdy s GLN 4 Ca 0.12 0.82 0.03 0.00 0.02 0.00 0.00 55.36 56.35 3mdy s GLN 4 Cb -0.20 -3.40 0.07 0.00 1.00 0.00 0.00 33.01 30.47 3mdy s GLN 4 CO -0.11 0.19 -0.07 0.08 -2.12 0.00 0.00 175.29 173.26 3mdy s VAL 5 N 0.38 2.26 -0.28 1.09 1.01 -1.26 -1.13 120.40 122.46 3mdy s VAL 5 Ca 0.35 -1.76 -0.07 0.00 0.00 0.00 0.00 61.98 60.50 3mdy s VAL 5 Cb -0.18 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.81 3mdy s VAL 5 CO 0.18 -0.15 0.07 -1.61 0.00 0.00 0.00 175.10 173.58 3mdy s GLU 6 N 1.07 3.16 0.33 2.72 2.02 -0.62 -4.98 118.70 122.40 3mdy s GLU 6 Ca -0.05 -0.80 -0.29 0.00 0.02 0.00 0.00 54.97 53.85 3mdy s GLU 6 Cb -0.20 -3.33 -0.10 0.00 0.10 0.00 0.00 34.13 30.59 3mdy s GLU 6 CO -0.05 -0.40 1.36 0.99 0.02 0.00 0.00 175.26 177.18 3mdy s THR 7 N 1.51 2.59 -0.19 3.63 2.01 -1.26 -0.44 115.64 123.49 3mdy s THR 7 Ca 0.03 0.58 -0.05 0.00 0.31 0.00 0.00 61.69 62.56 3mdy s THR 7 Cb -0.17 -3.37 -0.10 0.00 0.01 0.00 0.00 72.50 68.88 3mdy s THR 7 CO 0.02 0.13 -0.21 -0.38 -0.69 0.00 0.00 174.62 173.49 3mdy n ILE 8 N 1.00 1.04 -3.79 1.82 2.08 0.94 -4.83 119.36 117.61 3mdy n ILE 8 Ca 0.01 -0.32 -0.14 0.00 0.56 0.00 0.00 62.75 62.86 3mdy n ILE 8 Cb 0.41 -1.50 -0.15 0.00 -0.75 0.00 0.00 39.64 37.65 3mdy n ILE 8 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 3mdy s SER 9 N -6.31 0.03 0.59 4.38 0.15 -0.77 -4.99 113.70 106.78 3mdy s SER 9 Ca -0.26 0.06 -0.16 0.00 0.70 0.00 0.00 55.95 56.28 3mdy s SER 9 Cb 0.09 -0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.34 3mdy s SER 9 CO 0.37 -0.10 1.08 -2.16 1.20 0.00 0.00 173.24 173.63 3mdy s PRO 10 N 0.80 3.25 0.00 5.44 0.04 -1.26 -0.58 135.00 142.68 3mdy s PRO 10 Ca -0.07 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.29 3mdy s PRO 10 Cb -0.09 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3mdy s PRO 10 CO -0.02 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.54 3mdy n GLY 11 N -0.65 1.66 0.00 0.56 0.00 -1.26 -4.22 105.19 101.28 3mdy n GLY 11 Ca 0.10 -2.07 0.08 0.00 0.00 0.00 0.00 46.02 44.13 3mdy n GLY 11 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mdy n ASP 12 N -2.27 0.00 -0.36 1.61 5.68 -0.60 -4.82 116.55 115.79 3mdy n ASP 12 Ca 0.00 0.47 -0.05 0.00 -0.50 0.00 0.00 54.79 54.71 3mdy n ASP 12 Cb 0.00 -0.49 -0.02 0.00 -1.14 0.00 0.00 41.12 39.47 3mdy n ASP 12 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mdy n GLY 13 N 0.26 0.59 0.00 6.12 0.00 -1.26 -4.72 105.19 106.18 3mdy n GLY 13 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3mdy n GLY 13 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3mdy n ARG 14 N -0.99 0.10 -2.98 1.61 0.00 -1.26 -5.02 116.66 108.13 3mdy n ARG 14 Ca -0.05 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.37 3mdy n ARG 14 Cb 0.39 -0.52 -0.05 0.00 -0.00 0.00 0.00 32.46 32.28 3mdy n ARG 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3mdy s THR 15 N -1.04 4.59 0.01 8.89 2.01 -1.26 -5.03 115.64 123.80 3mdy s THR 15 Ca 0.00 -0.21 0.06 0.00 0.31 0.00 0.00 61.69 61.85 3mdy s THR 15 Cb 0.00 -4.47 -0.03 0.00 0.01 0.00 0.00 72.50 68.01 3mdy s THR 15 CO 0.00 -1.06 -0.17 -0.36 -0.69 0.00 0.00 174.62 172.33 3mdy s PHE 16 N 3.39 2.59 0.12 4.92 0.08 -1.26 -1.19 117.98 126.63 3mdy s PHE 16 Ca 0.22 -0.24 -0.31 0.00 0.12 0.00 0.00 56.93 56.72 3mdy s PHE 16 Cb -0.17 -1.52 -0.10 0.00 -0.57 0.00 0.00 43.02 40.67 3mdy s PHE 16 CO 0.14 0.21 1.68 -1.25 -0.10 0.00 0.00 175.22 175.90 3mdy s PRO 17 N -1.18 4.18 0.12 0.24 0.04 -1.26 -5.00 135.00 132.14 3mdy s PRO 17 Ca 0.14 2.42 0.02 0.00 0.04 0.00 0.00 61.00 63.62 3mdy s PRO 17 Cb -0.10 -3.44 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 3mdy s PRO 17 CO 0.04 -0.73 0.24 0.15 0.04 0.00 0.00 177.00 176.74 3mdy s LYS 18 N 2.14 3.39 0.12 4.56 1.02 -1.26 -4.93 119.74 124.78 3mdy s LYS 18 Ca 0.75 -0.57 -0.35 0.00 0.02 0.00 0.00 55.97 55.82 3mdy s LYS 18 Cb -0.43 -2.96 -0.16 0.00 -0.52 0.00 0.00 37.83 33.76 3mdy s LYS 18 CO 0.33 0.55 1.32 -2.13 -0.92 0.00 0.00 175.35 174.50 3mdy n ARG 19 N -0.23 1.29 0.00 1.68 0.63 -1.26 -1.94 116.66 116.83 3mdy n ARG 19 Ca -0.06 0.47 0.00 0.00 -0.92 0.00 0.00 57.85 57.33 3mdy n ARG 19 Cb 0.53 -2.09 0.00 0.00 0.45 0.00 0.00 32.46 31.35 3mdy n ARG 19 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3mdy n GLY 20 N 2.47 0.94 3.82 5.14 0.00 -0.86 -5.02 105.19 111.69 3mdy n GLY 20 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3mdy n GLY 20 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mdy s GLN 21 N -0.84 4.19 -0.34 1.61 -0.21 -0.82 -4.85 119.66 118.39 3mdy s GLN 21 Ca 0.00 0.77 -0.26 0.00 0.02 0.00 0.00 55.36 55.89 3mdy s GLN 21 Cb 0.00 -2.91 0.01 0.00 1.00 0.00 0.00 33.01 31.11 3mdy s GLN 21 CO 0.00 0.43 0.95 0.99 -2.12 0.00 0.00 175.29 175.53 3mdy s THR 22 N -1.49 4.59 0.03 -0.19 2.01 -1.26 -2.45 115.64 116.89 3mdy s THR 22 Ca 0.41 1.35 -0.28 0.00 0.31 0.00 0.00 61.69 63.48 3mdy s THR 22 Cb -0.16 -4.33 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 3mdy s THR 22 CO 0.20 -0.48 0.89 0.00 -0.69 0.00 0.00 174.62 174.55 3mdy s VAL 24 N 0.47 3.84 0.21 0.00 1.01 -0.28 -1.40 120.40 124.25 3mdy s VAL 24 Ca 0.46 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 62.09 3mdy s VAL 24 Cb -0.21 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 3mdy s VAL 24 CO 0.26 0.34 -0.07 0.68 0.00 0.00 0.00 175.10 176.31 3mdy s VAL 25 N 1.54 1.29 -0.05 2.92 -7.23 0.36 -0.96 120.40 118.27 3mdy s VAL 25 Ca 0.06 -2.09 0.04 0.00 -1.81 0.00 0.00 61.98 58.18 3mdy s VAL 25 Cb -0.15 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 3mdy s VAL 25 CO 0.00 -0.50 -0.15 -1.00 -0.31 0.00 0.00 175.10 173.14 3mdy s HIS 26 N -3.25 2.68 0.03 2.82 3.76 -0.78 -0.85 115.29 119.69 3mdy s HIS 26 Ca 0.24 -0.19 -0.07 0.00 -0.15 0.00 0.00 55.06 54.88 3mdy s HIS 26 Cb 0.03 -1.63 -0.00 0.00 1.11 0.00 0.00 32.58 32.09 3mdy s HIS 26 CO 0.06 0.16 0.14 1.52 -0.85 0.00 0.00 174.74 175.78 3mdy s TYR 27 N -0.69 0.10 -0.06 1.40 -0.85 -1.26 -0.82 117.35 115.17 3mdy s TYR 27 Ca 0.11 -0.29 0.03 0.00 -0.52 0.00 0.00 57.07 56.39 3mdy s TYR 27 Cb -0.11 -0.07 0.01 0.00 0.38 0.00 0.00 41.96 42.17 3mdy s TYR 27 CO 0.01 -0.36 -0.13 0.99 -1.52 0.00 0.00 175.55 174.53 3mdy s THR 28 N -2.15 1.21 -0.13 -3.49 2.01 -0.19 -1.55 115.64 111.35 3mdy s THR 28 Ca -0.09 -0.54 -0.02 0.00 0.31 0.00 0.00 61.69 61.36 3mdy s THR 28 Cb -0.03 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 3mdy s THR 28 CO -0.02 0.37 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.37 3mdy s GLY 29 N 0.51 1.65 0.06 4.40 0.00 0.22 -0.59 107.32 113.57 3mdy s GLY 29 Ca -0.12 -0.85 0.04 0.00 0.00 0.00 0.00 44.72 43.78 3mdy s GLY 29 CO 0.04 -0.20 -0.11 1.06 0.00 0.00 0.00 173.10 173.89 3mdy s MET 30 N 0.18 0.70 1.05 2.90 -1.94 0.55 -0.65 119.30 122.10 3mdy s MET 30 Ca -0.04 -0.90 -0.15 0.00 -1.71 0.00 0.00 55.69 52.89 3mdy s MET 30 Cb -0.14 -0.55 0.21 0.00 2.01 0.00 0.00 34.83 36.36 3mdy s MET 30 CO 0.04 0.11 1.12 -0.51 -0.01 0.00 0.00 175.02 175.77 3mdy s LEU 31 N -1.77 1.44 0.44 -0.03 1.43 -0.18 -0.83 118.68 119.17 3mdy s LEU 31 Ca -0.04 0.88 0.19 0.00 -1.03 0.00 0.00 54.13 54.13 3mdy s LEU 31 Cb -0.09 -2.92 1.02 0.00 0.03 0.00 0.00 46.19 44.23 3mdy s LEU 31 CO 0.01 -3.34 1.92 -0.08 0.23 0.00 0.00 176.35 175.09 3mdy h GLU 32 N -2.04 0.00 0.00 1.70 4.81 -1.89 -1.90 114.58 115.26 3mdy h GLU 32 Ca -0.50 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3mdy h GLU 32 Cb 1.31 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 3mdy h GLU 32 CO 0.49 0.25 -0.01 0.38 -0.73 0.00 0.00 179.01 179.40 3mdy h ASP 33 N 0.00 0.00 0.00 1.04 3.04 -1.92 -3.48 116.42 115.10 3mdy h ASP 33 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3mdy h ASP 33 Cb 0.54 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.83 3mdy h ASP 33 CO 0.03 0.01 0.00 0.61 -2.04 0.00 0.00 179.24 177.85 3mdy n GLY 34 N 0.68 1.66 3.68 7.15 0.00 -0.71 -5.09 105.19 112.56 3mdy n GLY 34 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3mdy n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mdy s LYS 35 N -0.26 4.16 0.30 1.61 2.20 -1.26 -4.71 119.74 121.78 3mdy s LYS 35 Ca 0.00 2.49 -0.27 0.00 -0.36 0.00 0.00 55.97 57.82 3mdy s LYS 35 Cb 0.00 -3.78 -0.09 0.00 -1.51 0.00 0.00 37.83 32.45 3mdy s LYS 35 CO 0.00 -0.84 0.98 0.21 -0.36 0.00 0.00 175.35 175.33 3mdy s LYS 36 N 3.28 4.62 0.00 4.03 2.20 -1.26 -1.01 119.74 131.60 3mdy s LYS 36 Ca 0.80 1.46 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 3mdy s LYS 36 Cb -0.42 -2.95 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 3mdy s LYS 36 CO 0.36 0.29 0.00 1.97 -0.36 0.00 0.00 175.35 177.60 3mdy n PHE 37 N 0.82 0.00 -3.62 4.03 1.16 0.18 -4.93 117.46 115.10 3mdy n PHE 37 Ca 0.01 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.47 3mdy n PHE 37 Cb 0.48 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.29 3mdy n PHE 37 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3mdy s ASP 38 N -0.97 -0.54 -0.25 5.98 2.15 -1.22 -5.01 116.67 116.81 3mdy s ASP 38 Ca 0.00 0.95 -0.08 0.00 0.43 0.00 0.00 52.55 53.85 3mdy s ASP 38 Cb 0.00 0.93 0.11 0.00 -0.30 0.00 0.00 42.92 43.66 3mdy s ASP 38 CO 0.00 -0.25 0.53 -0.55 -0.17 0.00 0.00 175.17 174.73 3mdy s SER 39 N -0.06 -0.68 0.53 -0.34 0.15 -1.26 -0.61 113.70 111.42 3mdy s SER 39 Ca 0.00 1.26 0.31 0.00 0.70 0.00 0.00 55.95 58.22 3mdy s SER 39 Cb -0.04 1.81 1.27 0.00 -1.71 0.00 0.00 66.02 67.35 3mdy s SER 39 CO -0.01 -0.23 1.95 0.77 1.20 0.00 0.00 173.24 176.92 3mdy h SER 40 N 8.09 0.00 0.18 5.45 4.64 -1.57 -2.88 113.55 127.46 3mdy h SER 40 Ca -0.17 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.96 3mdy h SER 40 Cb 1.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3mdy h SER 40 CO 0.11 0.05 -0.73 0.03 -0.87 0.00 0.00 176.83 175.43 3mdy h ARG 41 N 0.00 0.47 0.00 4.77 3.08 -1.83 -1.41 114.38 119.46 3mdy h ARG 41 Ca -0.00 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.64 3mdy h ARG 41 Cb 0.56 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 3mdy h ARG 41 CO 0.01 1.01 -0.12 -0.44 -1.07 0.00 0.00 179.97 179.36 3mdy h ASP 42 N 0.33 0.00 -0.46 7.04 3.32 -1.85 -2.22 116.42 122.59 3mdy h ASP 42 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3mdy h ASP 42 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3mdy h ASP 42 CO 0.13 0.12 0.00 -2.11 -1.72 0.00 0.00 179.24 175.66 3mdy n ARG 43 N -3.56 2.63 -4.09 3.56 1.85 -1.14 -4.98 116.66 110.92 3mdy n ARG 43 Ca -0.01 -2.22 -0.33 0.00 -1.00 0.00 0.00 57.85 54.29 3mdy n ARG 43 Cb 0.26 -1.39 -0.01 0.00 -1.05 0.00 0.00 32.46 30.28 3mdy n ARG 43 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3mdy n ASN 44 N 0.99 -3.66 -3.66 2.89 5.15 -0.58 -4.94 115.26 111.45 3mdy n ASN 44 Ca 0.16 -0.93 -0.21 0.00 -0.60 0.00 0.00 54.58 53.00 3mdy n ASN 44 Cb 0.50 -3.20 -0.18 0.00 -0.53 0.00 0.00 39.78 36.37 3mdy n ASN 44 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3mdy s LYS 45 N -6.79 -0.02 0.83 1.20 2.20 -0.92 -5.05 119.74 111.19 3mdy s LYS 45 Ca 0.66 0.27 -0.12 0.00 -0.36 0.00 0.00 55.97 56.42 3mdy s LYS 45 Cb -0.35 -0.82 0.09 0.00 -1.51 0.00 0.00 37.83 35.24 3mdy s LYS 45 CO 0.89 -0.41 1.15 -2.14 -0.36 0.00 0.00 175.35 174.49 3mdy s PRO 46 N 2.15 1.62 -0.11 4.03 0.02 -1.26 -4.68 135.00 136.78 3mdy s PRO 46 Ca 0.04 1.53 -0.01 0.00 0.02 0.00 0.00 61.00 62.59 3mdy s PRO 46 Cb -0.13 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.57 3mdy s PRO 46 CO -0.04 -2.18 -0.06 0.12 -0.33 0.00 0.00 177.00 174.51 3mdy s PHE 47 N -2.50 2.98 -0.07 6.54 5.36 -0.03 -4.92 117.98 125.34 3mdy s PHE 47 Ca 0.68 -0.13 0.03 0.00 -0.96 0.00 0.00 56.93 56.55 3mdy s PHE 47 Cb -0.23 -1.82 -0.02 0.00 -0.34 0.00 0.00 43.02 40.61 3mdy s PHE 47 CO 0.54 0.17 -0.15 0.15 -1.46 0.00 0.00 175.22 174.47 3mdy s LYS 48 N -0.31 2.69 0.03 10.12 1.02 -1.26 -0.49 119.74 131.54 3mdy s LYS 48 Ca 0.05 -0.71 -0.13 0.00 0.02 0.00 0.00 55.97 55.20 3mdy s LYS 48 Cb -0.13 -2.42 0.02 0.00 -0.52 0.00 0.00 37.83 34.78 3mdy s LYS 48 CO 0.02 0.52 0.27 -0.59 -0.92 0.00 0.00 175.35 174.66 3mdy s PHE 49 N -0.46 -0.08 -0.27 3.18 -0.12 -0.49 -4.99 117.98 114.74 3mdy s PHE 49 Ca 0.06 -0.02 -0.13 0.00 -0.05 0.00 0.00 56.93 56.79 3mdy s PHE 49 Cb -0.12 0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.29 3mdy s PHE 49 CO 0.02 -0.45 0.28 1.41 -0.05 0.00 0.00 175.22 176.43 3mdy s MET 50 N -2.21 3.99 0.15 1.99 -2.45 -1.26 -0.12 119.30 119.39 3mdy s MET 50 Ca -0.08 -0.13 -0.34 0.00 -1.25 0.00 0.00 55.69 53.89 3mdy s MET 50 Cb -0.02 -3.66 -0.15 0.00 1.25 0.00 0.00 34.83 32.26 3mdy s MET 50 CO -0.01 -0.22 1.49 -0.11 1.05 0.00 0.00 175.02 177.22 3mdy n LEU 51 N 5.18 2.71 0.00 4.11 7.94 -1.03 -2.47 117.00 133.45 3mdy n LEU 51 Ca -0.11 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.89 3mdy n LEU 51 Cb 0.51 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 43.10 3mdy n LEU 51 CO 0.35 -0.51 0.00 0.61 -1.11 0.00 0.00 177.39 176.73 3mdy n GLY 52 N 3.04 1.05 0.04 -3.96 0.00 -1.26 -2.03 105.19 102.07 3mdy n GLY 52 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 3mdy n GLY 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mdy n LYS 53 N -2.00 0.16 -2.69 1.61 4.76 -1.03 -4.97 118.16 114.00 3mdy n LYS 53 Ca 0.00 -0.07 -0.19 0.00 -2.87 0.00 0.00 58.31 55.18 3mdy n LYS 53 Cb 0.00 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.71 3mdy n LYS 53 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3mdy n GLN 54 N -1.36 -3.14 0.12 1.97 6.02 -1.26 -4.89 117.38 114.84 3mdy n GLN 54 Ca 0.07 0.84 -0.03 0.00 -0.01 0.00 0.00 57.00 57.88 3mdy n GLN 54 Cb 0.33 -5.42 0.13 0.00 1.02 0.00 0.00 30.24 26.30 3mdy n GLN 54 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3mdy h GLU 55 N -0.72 0.04 -6.27 -1.09 5.08 -1.93 -3.46 114.58 106.23 3mdy h GLU 55 Ca -0.45 -0.03 -0.60 0.00 -1.00 0.00 0.00 59.36 57.27 3mdy h GLU 55 Cb 1.32 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.44 3mdy h GLU 55 CO 0.51 0.69 -0.74 0.14 -1.00 0.00 0.00 179.01 178.61 3mdy s VAL 56 N -3.52 2.75 0.51 3.13 -7.23 -1.26 -5.11 120.40 109.67 3mdy s VAL 56 Ca -0.01 -2.20 -0.20 0.00 -1.81 0.00 0.00 61.98 57.75 3mdy s VAL 56 Cb 0.12 -2.43 -0.10 0.00 0.56 0.00 0.00 36.38 34.53 3mdy s VAL 56 CO 0.78 -0.34 0.63 2.30 -0.31 0.00 0.00 175.10 178.15 3mdy n ILE 57 N -0.55 2.23 -0.35 -0.62 -5.35 -1.26 -4.74 119.36 108.72 3mdy n ILE 57 Ca -0.07 -0.50 0.03 0.00 -0.27 0.00 0.00 62.75 61.95 3mdy n ILE 57 Cb 0.59 -0.74 0.18 0.00 -1.74 0.00 0.00 39.64 37.94 3mdy n ILE 57 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3mdy h ARG 58 N 0.60 1.03 -0.91 6.28 2.43 -1.86 -1.34 114.38 120.61 3mdy h ARG 58 Ca -0.44 -0.06 0.12 0.00 -0.81 0.00 0.00 59.98 58.79 3mdy h ARG 58 Cb 1.39 -0.23 -0.07 0.00 -0.42 0.00 0.00 29.97 30.64 3mdy h ARG 58 CO 0.50 0.68 0.59 0.78 -1.51 0.00 0.00 179.97 181.00 3mdy h GLY 59 N 1.06 1.32 0.87 2.80 0.00 -1.35 -0.59 103.07 107.17 3mdy h GLY 59 Ca 0.43 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 3mdy h GLY 59 CO -0.20 0.14 -0.11 1.49 0.00 0.00 0.00 176.54 177.86 3mdy h TRP 60 N 0.81 -0.27 -0.60 5.60 4.06 -1.50 0.33 115.95 124.38 3mdy h TRP 60 Ca 0.45 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.37 3mdy h TRP 60 Cb 0.58 0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 28.80 3mdy h TRP 60 CO -0.00 -0.07 0.28 0.93 -3.56 0.00 0.00 178.44 176.01 3mdy h GLU 61 N -0.43 0.85 -0.26 0.49 5.08 -1.25 -0.19 114.58 118.88 3mdy h GLU 61 Ca -0.03 -0.11 -0.19 0.00 -1.00 0.00 0.00 59.36 58.03 3mdy h GLU 61 Cb 0.32 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3mdy h GLU 61 CO 0.05 0.67 -0.59 1.49 -1.00 0.00 0.00 179.01 179.62 3mdy h GLU 62 N 0.85 0.84 -0.03 2.33 4.81 -1.03 -2.03 114.58 120.32 3mdy h GLU 62 Ca 0.21 -0.56 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 3mdy h GLU 62 Cb 0.11 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 3mdy h GLU 62 CO -0.03 1.19 -0.03 0.78 -0.73 0.00 0.00 179.01 180.20 3mdy h GLY 63 N 0.70 0.08 1.50 1.92 0.00 -0.00 -3.33 103.07 103.93 3mdy h GLY 63 Ca 0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 3mdy h GLY 63 CO 0.13 0.07 -0.58 -2.08 0.00 0.00 0.00 176.54 174.08 3mdy h VAL 64 N -0.37 1.33 -0.78 4.60 2.07 -1.13 -3.03 116.25 118.94 3mdy h VAL 64 Ca 0.01 -1.86 0.13 0.00 0.82 0.00 0.00 66.70 65.80 3mdy h VAL 64 Cb 0.51 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 3mdy h VAL 64 CO 0.01 0.57 0.52 0.00 0.02 0.00 0.00 177.57 178.69 3mdy h ALA 65 N 0.97 1.97 -0.43 1.67 0.00 -1.48 0.17 119.26 122.13 3mdy h ALA 65 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3mdy h ALA 65 Cb 1.13 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 3mdy h ALA 65 CO 0.11 -0.17 0.20 0.00 0.00 0.00 0.00 179.25 179.39 3mdy n GLN 66 N -4.50 2.21 -4.29 0.00 10.64 -1.14 -4.38 117.38 115.91 3mdy n GLN 66 Ca 0.15 -1.58 -0.29 0.00 -1.83 0.00 0.00 57.00 53.44 3mdy n GLN 66 Cb 0.46 -1.73 -0.11 0.00 -0.86 0.00 0.00 30.24 28.01 3mdy n GLN 66 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 3mdy s MET 67 N -1.78 1.87 0.10 2.61 -1.94 0.05 -5.11 119.30 115.09 3mdy s MET 67 Ca 0.29 -1.17 -0.11 0.00 -1.71 0.00 0.00 55.69 52.99 3mdy s MET 67 Cb 0.23 -2.15 -0.06 0.00 2.01 0.00 0.00 34.83 34.87 3mdy s MET 67 CO 0.07 0.48 0.44 -1.12 -0.01 0.00 0.00 175.02 174.88 3mdy s SER 68 N -2.24 6.68 -0.05 3.03 0.01 -1.26 -4.28 113.70 115.59 3mdy s SER 68 Ca 0.19 0.86 -0.35 0.00 1.31 0.00 0.00 55.95 57.96 3mdy s SER 68 Cb -0.10 -2.20 -0.13 0.00 0.21 0.00 0.00 66.02 63.79 3mdy s SER 68 CO 0.11 0.14 1.74 0.52 0.41 0.00 0.00 173.24 176.16 3mdy n VAL 69 N 0.81 0.35 0.00 3.43 0.31 -0.33 -1.13 118.33 121.76 3mdy n VAL 69 Ca -0.07 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 3mdy n VAL 69 Cb 0.52 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 3mdy n VAL 69 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3mdy n GLY 70 N 3.97 1.81 3.80 2.92 0.00 0.95 -1.56 105.19 117.08 3mdy n GLY 70 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 3mdy n GLY 70 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3mdy s GLN 71 N -0.86 3.95 -0.03 1.61 0.74 -0.29 -4.25 119.66 120.53 3mdy s GLN 71 Ca 0.00 1.28 0.02 0.00 0.05 0.00 0.00 55.36 56.72 3mdy s GLN 71 Cb 0.00 -2.13 0.00 0.00 1.10 0.00 0.00 33.01 31.99 3mdy s GLN 71 CO 0.00 -0.29 -0.09 0.50 -0.55 0.00 0.00 175.29 174.85 3mdy s ARG 72 N -3.21 0.98 -0.06 1.67 3.52 0.25 -1.17 118.95 120.92 3mdy s ARG 72 Ca 0.65 -0.31 -0.17 0.00 -0.13 0.00 0.00 55.73 55.77 3mdy s ARG 72 Cb -0.14 -0.91 0.04 0.00 -1.56 0.00 0.00 34.95 32.38 3mdy s ARG 72 CO 0.18 0.11 0.41 0.00 -0.81 0.00 0.00 175.30 175.18 3mdy s ALA 73 N 0.20 -1.03 -0.26 6.12 0.00 0.17 -0.04 121.76 126.93 3mdy s ALA 73 Ca -0.03 0.75 -0.24 0.00 0.00 0.00 0.00 51.96 52.44 3mdy s ALA 73 Cb -0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 3mdy s ALA 73 CO 0.01 -0.26 0.79 0.21 0.00 0.00 0.00 175.76 176.50 3mdy s LYS 74 N -0.85 4.13 -0.29 0.00 2.20 0.42 -1.12 119.74 124.24 3mdy s LYS 74 Ca -0.09 0.81 -0.10 0.00 -0.36 0.00 0.00 55.97 56.23 3mdy s LYS 74 Cb -0.04 -3.66 -0.03 0.00 -1.51 0.00 0.00 37.83 32.60 3mdy s LYS 74 CO 0.04 -0.53 0.15 -0.51 -0.36 0.00 0.00 175.35 174.14 3mdy s LEU 75 N 2.81 3.96 -0.26 5.43 1.02 0.10 -1.59 118.68 130.16 3mdy s LEU 75 Ca 0.33 -0.28 -0.08 0.00 0.02 0.00 0.00 54.13 54.11 3mdy s LEU 75 Cb -0.15 -2.03 -0.04 0.00 0.02 0.00 0.00 46.19 43.99 3mdy s LEU 75 CO 0.08 -0.12 0.11 -0.89 0.02 0.00 0.00 176.35 175.55 3mdy s THR 76 N 1.67 4.62 -0.16 5.49 2.01 -0.28 -0.90 115.64 128.09 3mdy s THR 76 Ca 0.06 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.00 3mdy s THR 76 Cb -0.16 -3.17 0.03 0.00 0.01 0.00 0.00 72.50 69.20 3mdy s THR 76 CO 0.07 0.31 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.56 3mdy s ILE 77 N 1.63 1.57 0.72 1.82 1.01 -0.14 -1.04 121.20 126.77 3mdy s ILE 77 Ca 0.06 -0.74 -0.13 0.00 0.00 0.00 0.00 60.65 59.84 3mdy s ILE 77 Cb -0.15 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.81 3mdy s ILE 77 CO 0.06 0.36 1.12 -0.94 0.00 0.00 0.00 174.94 175.54 3mdy s SER 78 N 1.47 4.65 0.37 3.58 1.04 0.35 -1.72 113.70 123.43 3mdy s SER 78 Ca 0.03 2.02 0.11 0.00 0.48 0.00 0.00 55.95 58.59 3mdy s SER 78 Cb -0.14 -2.55 0.88 0.00 0.10 0.00 0.00 66.02 64.31 3mdy s SER 78 CO -0.10 -1.94 1.86 -0.65 0.98 0.00 0.00 173.24 173.39 3mdy h PRO 79 N -0.47 0.60 0.00 4.02 0.11 -1.87 0.19 132.00 134.59 3mdy h PRO 79 Ca -0.46 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3mdy h PRO 79 Cb 1.25 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3mdy h PRO 79 CO 0.52 0.40 -0.06 -0.44 -0.21 0.00 0.00 178.00 178.21 3mdy h ASP 80 N 0.62 0.00 0.07 -2.05 3.32 -1.91 0.88 116.42 117.35 3mdy h ASP 80 Ca 0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 3mdy h ASP 80 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 3mdy h ASP 80 CO -0.21 0.06 -0.10 -1.22 -1.72 0.00 0.00 179.24 176.05 3mdy n TYR 81 N -4.42 0.00 0.00 4.55 4.02 0.03 -4.85 117.16 116.49 3mdy n TYR 81 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 3mdy n TYR 81 Cb 0.14 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 3mdy n TYR 81 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3mdy n ALA 82 N -0.08 0.00 -0.36 -0.72 0.00 0.12 -0.89 120.51 118.58 3mdy n ALA 82 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.72 3mdy n ALA 82 Cb 0.36 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.14 3mdy n ALA 82 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3mdy n TYR 83 N 0.00 1.04 -4.78 0.00 4.01 -1.16 -4.86 117.16 111.42 3mdy n TYR 83 Ca 0.00 -0.50 0.00 0.00 -0.16 0.00 0.00 57.90 57.24 3mdy n TYR 83 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 3mdy n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mdy n GLY 84 N 1.61 1.25 0.19 2.72 0.00 -0.16 -0.57 105.19 110.23 3mdy n GLY 84 Ca 0.25 -0.57 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 3mdy n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mdy h ALA 85 N -0.96 1.13 -0.14 4.61 0.00 -1.93 0.10 119.26 122.06 3mdy h ALA 85 Ca 0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 3mdy h ALA 85 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3mdy h ALA 85 CO 0.00 0.59 -0.39 1.15 0.00 0.00 0.00 179.25 180.60 3mdy h THR 86 N 0.15 1.36 0.00 0.00 2.02 -1.90 -3.37 112.91 111.17 3mdy h THR 86 Ca 0.01 -1.67 0.00 0.00 0.77 0.00 0.00 66.41 65.52 3mdy h THR 86 Cb 0.83 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 3mdy h THR 86 CO 0.06 0.50 0.00 0.61 0.37 0.00 0.00 175.52 177.07 3mdy n GLY 87 N 0.53 0.60 2.76 2.16 0.00 0.26 -4.44 105.19 107.05 3mdy n GLY 87 Ca -0.07 -0.84 -0.17 0.00 0.00 0.00 0.00 46.02 44.94 3mdy n GLY 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3mdy s HIS 88 N 0.00 -0.01 -0.03 1.61 5.04 0.29 -4.91 115.29 117.28 3mdy s HIS 88 Ca 0.00 0.29 -0.37 0.00 -1.54 0.00 0.00 55.06 53.44 3mdy s HIS 88 Cb 0.00 -0.32 -0.16 0.00 0.04 0.00 0.00 32.58 32.15 3mdy s HIS 88 CO 0.00 -0.16 1.54 -2.30 -2.34 0.00 0.00 174.74 171.47 3mdy n PRO 89 N 4.79 1.36 -0.29 2.88 -0.02 -1.26 -0.94 135.00 141.51 3mdy n PRO 89 Ca -0.15 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3mdy n PRO 89 Cb 0.50 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 3mdy n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mdy n GLY 90 N 3.29 1.61 1.14 -1.23 0.00 -1.26 -4.73 105.19 104.01 3mdy n GLY 90 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3mdy n GLY 90 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3mdy n ILE 91 N -2.00 0.33 -4.06 -0.61 5.41 -0.11 -5.03 119.36 113.28 3mdy n ILE 91 Ca 0.00 0.11 -0.34 0.00 1.00 0.00 0.00 62.75 63.52 3mdy n ILE 91 Cb 0.00 -1.40 -0.15 0.00 -0.71 0.00 0.00 39.64 37.38 3mdy n ILE 91 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3mdy s ILE 92 N -2.00 2.56 0.94 1.39 -1.09 -0.33 -4.94 121.20 117.72 3mdy s ILE 92 Ca 0.00 -0.77 -0.12 0.00 -2.23 0.00 0.00 60.65 57.53 3mdy s ILE 92 Cb 0.00 -2.11 0.15 0.00 -1.58 0.00 0.00 42.46 38.92 3mdy s ILE 92 CO 0.00 0.50 1.11 -2.16 -1.23 0.00 0.00 174.94 173.16 3mdy s PRO 93 N 1.34 0.93 0.34 2.79 0.04 -1.26 -0.55 135.00 138.64 3mdy s PRO 93 Ca 0.05 0.43 -0.28 0.00 0.04 0.00 0.00 61.00 61.24 3mdy s PRO 93 Cb -0.14 -1.80 -0.12 0.00 0.04 0.00 0.00 34.50 32.48 3mdy s PRO 93 CO -0.09 -2.37 1.25 -2.30 0.04 0.00 0.00 177.00 173.53 3mdy n PRO 94 N -3.91 2.00 -3.63 0.56 -0.02 -1.26 -3.27 135.00 125.47 3mdy n PRO 94 Ca 0.06 0.70 -0.26 0.00 -2.02 0.00 0.00 63.50 61.98 3mdy n PRO 94 Cb 0.58 -2.26 0.05 0.00 -0.02 0.00 0.00 33.50 31.85 3mdy n PRO 94 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3mdy n HIS 95 N 0.28 -2.47 -2.92 6.00 8.25 0.02 -4.94 115.22 119.44 3mdy n HIS 95 Ca 0.05 0.87 -0.41 0.00 -0.26 0.00 0.00 57.72 57.98 3mdy n HIS 95 Cb 0.36 -4.42 -0.04 0.00 1.12 0.00 0.00 29.99 27.00 3mdy n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mdy s ALA 96 N -3.27 3.44 0.00 -1.41 0.00 -1.20 -4.81 121.76 114.51 3mdy s ALA 96 Ca 0.57 0.10 -0.28 0.00 0.00 0.00 0.00 51.96 52.35 3mdy s ALA 96 Cb -0.27 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 3mdy s ALA 96 CO 0.71 -0.47 0.88 0.99 0.00 0.00 0.00 175.76 177.87 3mdy s THR 97 N 1.70 4.85 0.15 0.00 2.01 -1.26 -3.40 115.64 119.68 3mdy s THR 97 Ca 0.39 1.86 0.09 0.00 0.31 0.00 0.00 61.69 64.34 3mdy s THR 97 Cb -0.17 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 3mdy s THR 97 CO 0.15 0.23 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.41 3mdy s LEU 98 N 0.70 2.83 -0.15 4.42 1.43 -0.70 -3.20 118.68 124.01 3mdy s LEU 98 Ca 0.46 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 3mdy s LEU 98 Cb -0.20 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.44 3mdy s LEU 98 CO 0.25 0.14 -0.16 -0.69 0.23 0.00 0.00 176.35 176.12 3mdy s VAL 99 N -1.44 1.72 -0.13 -1.59 1.01 -0.01 -0.97 120.40 119.00 3mdy s VAL 99 Ca 0.22 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3mdy s VAL 99 Cb -0.10 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 3mdy s VAL 99 CO 0.13 0.48 -0.15 -0.36 0.00 0.00 0.00 175.10 175.20 3mdy s PHE 100 N 1.38 2.76 -0.38 5.22 0.08 -0.08 -0.33 117.98 126.64 3mdy s PHE 100 Ca 0.04 -0.77 -0.15 0.00 0.12 0.00 0.00 56.93 56.16 3mdy s PHE 100 Cb -0.13 -1.83 0.00 0.00 -0.57 0.00 0.00 43.02 40.49 3mdy s PHE 100 CO -0.11 -0.29 0.34 0.34 -0.10 0.00 0.00 175.22 175.41 3mdy s ASP 101 N 0.42 6.15 -0.03 1.36 -1.08 0.24 0.03 116.67 123.75 3mdy s ASP 101 Ca -0.12 -0.52 0.04 0.00 -0.52 0.00 0.00 52.55 51.43 3mdy s ASP 101 Cb -0.16 -2.18 -0.00 0.00 -1.46 0.00 0.00 42.92 39.11 3mdy s ASP 101 CO 0.05 -0.40 -0.15 -0.69 0.52 0.00 0.00 175.17 174.50 3mdy s VAL 102 N 1.92 1.24 -0.12 1.11 1.01 -0.28 -1.02 120.40 124.26 3mdy s VAL 102 Ca 0.09 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.46 3mdy s VAL 102 Cb -0.17 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.16 3mdy s VAL 102 CO 0.12 0.36 -0.16 -0.70 0.00 0.00 0.00 175.10 174.72 3mdy s GLU 103 N -0.04 2.32 -0.55 2.72 2.12 0.00 -0.65 118.70 124.62 3mdy s GLU 103 Ca -0.01 -0.59 -0.28 0.00 0.36 0.00 0.00 54.97 54.45 3mdy s GLU 103 Cb -0.09 -1.99 0.03 0.00 0.26 0.00 0.00 34.13 32.34 3mdy s GLU 103 CO 0.01 -0.09 1.13 -1.17 -0.54 0.00 0.00 175.26 174.60 3mdy s LEU 104 N 1.07 3.62 -0.02 2.70 2.96 -0.32 -1.87 118.68 126.81 3mdy s LEU 104 Ca -0.04 0.11 -0.13 0.00 -0.22 0.00 0.00 54.13 53.84 3mdy s LEU 104 Cb -0.15 -3.19 -0.33 0.00 0.50 0.00 0.00 46.19 43.03 3mdy s LEU 104 CO -0.03 -1.37 0.78 -0.07 -1.32 0.00 0.00 176.35 174.34 3mdy h LEU 105 N 11.56 0.70 -7.00 -0.68 3.38 -1.36 0.27 115.31 122.17 3mdy h LEU 105 Ca -0.25 -0.93 0.10 0.00 0.09 0.00 0.00 57.88 56.89 3mdy h LEU 105 Cb 1.06 -0.23 -0.22 0.00 0.09 0.00 0.00 40.66 41.36 3mdy h LEU 105 CO 1.15 1.76 0.58 -0.75 0.09 0.00 0.00 178.44 181.27 3mdy s LYS 106 N -2.58 0.56 -0.11 1.13 2.20 -1.13 -4.51 119.74 115.30 3mdy s LYS 106 Ca -0.14 0.09 0.02 0.00 -0.36 0.00 0.00 55.97 55.58 3mdy s LYS 106 Cb 0.05 0.26 -0.01 0.00 -1.51 0.00 0.00 37.83 36.62 3mdy s LYS 106 CO 0.89 -0.19 -0.18 -0.51 -0.36 0.00 0.00 175.35 175.00 3mdy s LEU 107 N -1.26 2.44 0.00 5.43 1.43 -1.26 -1.13 118.68 124.33 3mdy s LEU 107 Ca 0.00 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 3mdy s LEU 107 Cb -0.01 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.69 3mdy s LEU 107 CO -0.00 0.17 0.00 -1.84 0.23 0.00 0.00 176.35 174.91