#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 -0.51 4.33 -0.00 -2.03 -3.26 114.93 113.46 3mdy h MET 1 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.65 3mdy h MET 1 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.58 3mdy h MET 1 CO 0.00 0.00 0.11 0.78 -0.00 0.00 0.00 176.91 177.80 3mdy h GLY 2 N 2.99 0.83 -7.52 -3.00 0.00 -1.98 -3.40 103.07 90.99 3mdy h GLY 2 Ca 0.00 -0.48 -0.64 0.00 0.00 0.00 0.00 47.33 46.22 3mdy h GLY 2 CO 0.00 0.45 -0.73 0.14 0.00 0.00 0.00 176.54 176.40 3mdy s VAL 3 N -5.18 1.90 -0.07 4.60 1.01 -1.23 -0.41 120.40 121.03 3mdy s VAL 3 Ca -0.09 -2.14 -0.19 0.00 0.00 0.00 0.00 61.98 59.56 3mdy s VAL 3 Cb 0.16 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 3mdy s VAL 3 CO 0.79 -0.63 0.51 -1.10 0.00 0.00 0.00 175.10 174.67 3mdy s GLN 4 N 1.03 4.28 -0.28 2.72 -0.21 -0.23 -4.76 119.66 122.23 3mdy s GLN 4 Ca 0.11 0.55 0.03 0.00 0.02 0.00 0.00 55.36 56.07 3mdy s GLN 4 Cb -0.19 -3.38 0.07 0.00 1.00 0.00 0.00 33.01 30.51 3mdy s GLN 4 CO -0.12 0.29 -0.08 0.08 -2.12 0.00 0.00 175.29 173.34 3mdy s VAL 5 N 0.16 2.17 -0.27 1.09 1.01 -1.26 -1.13 120.40 122.17 3mdy s VAL 5 Ca 0.28 -1.77 -0.06 0.00 0.00 0.00 0.00 61.98 60.42 3mdy s VAL 5 Cb -0.16 -2.35 -0.00 0.00 0.00 0.00 0.00 36.38 33.87 3mdy s VAL 5 CO 0.13 -0.15 0.06 -1.61 0.00 0.00 0.00 175.10 173.53 3mdy s GLU 6 N 1.07 3.28 0.27 2.72 2.02 -0.55 -4.97 118.70 122.55 3mdy s GLU 6 Ca -0.05 -0.72 -0.29 0.00 0.02 0.00 0.00 54.97 53.93 3mdy s GLU 6 Cb -0.20 -3.29 -0.10 0.00 0.10 0.00 0.00 34.13 30.64 3mdy s GLU 6 CO -0.06 -0.34 1.34 0.99 0.02 0.00 0.00 175.26 177.22 3mdy s THR 7 N 1.52 2.83 -0.22 3.63 2.01 -1.26 -0.16 115.64 123.99 3mdy s THR 7 Ca 0.04 0.75 -0.07 0.00 0.31 0.00 0.00 61.69 62.73 3mdy s THR 7 Cb -0.16 -3.48 -0.11 0.00 0.01 0.00 0.00 72.50 68.76 3mdy s THR 7 CO 0.02 0.15 -0.25 -0.38 -0.69 0.00 0.00 174.62 173.46 3mdy n ILE 8 N 1.69 1.20 -3.80 1.82 2.08 0.10 -4.85 119.36 117.61 3mdy n ILE 8 Ca 0.03 -0.36 -0.14 0.00 0.56 0.00 0.00 62.75 62.85 3mdy n ILE 8 Cb 0.42 -1.61 -0.15 0.00 -0.75 0.00 0.00 39.64 37.55 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 -6.65 -0.01 0.63 4.38 0.15 -0.74 -5.00 113.70 106.45 3mdy s SER 9 Ca -0.30 0.10 -0.16 0.00 0.70 0.00 0.00 55.95 56.29 3mdy s SER 9 Cb 0.10 0.03 -0.02 0.00 -1.71 0.00 0.00 66.02 64.43 3mdy s SER 9 CO 0.42 -0.08 1.10 -2.16 1.20 0.00 0.00 173.24 173.72 3mdy s PRO 10 N 0.63 2.98 0.00 5.44 0.04 -1.26 -0.56 135.00 142.28 3mdy s PRO 10 Ca -0.05 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.39 3mdy s PRO 10 Cb -0.07 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3mdy s PRO 10 CO -0.02 -1.11 0.00 0.41 0.04 0.00 0.00 177.00 176.32 3mdy n GLY 11 N -0.47 1.59 0.01 0.56 0.00 -1.26 -4.20 105.19 101.43 3mdy n GLY 11 Ca 0.10 -2.05 0.08 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.13 0.07 -0.35 1.61 5.68 -0.50 -4.83 116.55 116.11 3mdy n ASP 12 Ca 0.00 0.52 -0.05 0.00 -0.50 0.00 0.00 54.79 54.76 3mdy n ASP 12 Cb 0.00 -0.53 -0.02 0.00 -1.14 0.00 0.00 41.12 39.43 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 0.20 0.58 0.00 6.12 0.00 -1.26 -4.74 105.19 106.10 3mdy n GLY 13 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3mdy n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mdy n ARG 14 N -1.03 0.00 -3.05 1.61 1.74 -1.26 -5.02 116.66 109.65 3mdy n ARG 14 Ca -0.05 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.60 3mdy n ARG 14 Cb 0.38 -0.50 -0.05 0.00 -1.02 0.00 0.00 32.46 31.27 3mdy n ARG 14 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3mdy s THR 15 N -1.00 4.70 0.03 0.55 2.01 -1.26 -5.03 115.64 115.63 3mdy s THR 15 Ca 0.00 -0.49 0.05 0.00 0.31 0.00 0.00 61.69 61.56 3mdy s THR 15 Cb 0.00 -4.45 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 3mdy s THR 15 CO 0.00 -1.05 -0.12 -0.36 -0.69 0.00 0.00 174.62 172.40 3mdy s PHE 16 N 3.08 2.73 0.08 4.92 0.08 -1.26 -1.10 117.98 126.51 3mdy s PHE 16 Ca 0.17 -0.15 -0.31 0.00 0.12 0.00 0.00 56.93 56.77 3mdy s PHE 16 Cb -0.19 -1.53 -0.09 0.00 -0.57 0.00 0.00 43.02 40.64 3mdy s PHE 16 CO 0.11 0.32 1.65 -1.25 -0.10 0.00 0.00 175.22 175.95 3mdy s PRO 17 N -1.50 4.20 0.17 0.24 0.04 -1.26 -5.01 135.00 131.87 3mdy s PRO 17 Ca 0.16 2.34 0.01 0.00 0.04 0.00 0.00 61.00 63.56 3mdy s PRO 17 Cb -0.11 -3.55 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 3mdy s PRO 17 CO 0.07 -0.72 0.32 0.15 0.04 0.00 0.00 177.00 176.86 3mdy s LYS 18 N 2.49 3.47 0.13 4.56 1.02 -1.26 -4.93 119.74 125.21 3mdy s LYS 18 Ca 0.74 -0.51 -0.35 0.00 0.02 0.00 0.00 55.97 55.87 3mdy s LYS 18 Cb -0.40 -2.92 -0.16 0.00 -0.52 0.00 0.00 37.83 33.83 3mdy s LYS 18 CO 0.32 0.48 1.31 -2.13 -0.92 0.00 0.00 175.35 174.41 3mdy n ARG 19 N -0.60 1.29 -0.05 1.68 0.63 -1.26 -2.15 116.66 116.20 3mdy n ARG 19 Ca -0.06 0.46 0.00 0.00 -0.92 0.00 0.00 57.85 57.33 3mdy n ARG 19 Cb 0.54 -2.07 0.00 0.00 0.45 0.00 0.00 32.46 31.38 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 2.41 0.85 3.82 5.14 0.00 -0.76 -5.02 105.19 111.63 3mdy n GLY 20 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.70 4.13 -0.35 1.61 -0.21 -0.91 -4.87 119.66 118.35 3mdy s GLN 21 Ca 0.00 0.66 -0.29 0.00 0.02 0.00 0.00 55.36 55.75 3mdy s GLN 21 Cb 0.00 -3.16 0.02 0.00 1.00 0.00 0.00 33.01 30.87 3mdy s GLN 21 CO 0.00 0.61 1.08 0.99 -2.12 0.00 0.00 175.29 175.84 3mdy s THR 22 N -1.19 4.46 0.02 -0.19 2.01 -1.26 -2.61 115.64 116.87 3mdy s THR 22 Ca 0.31 1.61 -0.27 0.00 0.31 0.00 0.00 61.69 63.64 3mdy s THR 22 Cb -0.18 -4.44 -0.04 0.00 0.01 0.00 0.00 72.50 67.84 3mdy s THR 22 CO 0.19 -0.58 0.86 0.00 -0.69 0.00 0.00 174.62 174.40 3mdy s VAL 24 N 0.49 3.67 0.21 0.00 1.01 -0.34 -1.32 120.40 124.11 3mdy s VAL 24 Ca 0.44 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.80 3mdy s VAL 24 Cb -0.21 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 3mdy s VAL 24 CO 0.25 0.18 -0.11 0.68 0.00 0.00 0.00 175.10 176.10 3mdy s VAL 25 N 1.47 1.56 -0.07 2.92 -7.23 0.19 -0.87 120.40 118.37 3mdy s VAL 25 Ca 0.03 -2.16 0.02 0.00 -1.81 0.00 0.00 61.98 58.06 3mdy s VAL 25 Cb -0.16 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 3mdy s VAL 25 CO 0.00 -0.55 -0.13 -1.00 -0.31 0.00 0.00 175.10 173.12 3mdy s HIS 26 N -3.08 2.77 0.03 2.82 3.76 -0.80 -0.50 115.29 120.28 3mdy s HIS 26 Ca 0.23 -0.23 -0.04 0.00 -0.15 0.00 0.00 55.06 54.87 3mdy s HIS 26 Cb 0.01 -1.70 -0.01 0.00 1.11 0.00 0.00 32.58 31.99 3mdy s HIS 26 CO 0.07 0.12 0.06 1.52 -0.85 0.00 0.00 174.74 175.66 3mdy s TYR 27 N -0.49 0.21 -0.08 1.40 -0.85 -1.26 -1.01 117.35 115.27 3mdy s TYR 27 Ca 0.07 -0.48 0.02 0.00 -0.52 0.00 0.00 57.07 56.15 3mdy s TYR 27 Cb -0.12 -0.16 0.01 0.00 0.38 0.00 0.00 41.96 42.08 3mdy s TYR 27 CO 0.02 -0.30 -0.14 0.99 -1.52 0.00 0.00 175.55 174.60 3mdy s THR 28 N -2.14 1.29 -0.10 -3.49 2.01 -0.19 -1.57 115.64 111.44 3mdy s THR 28 Ca -0.09 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.35 3mdy s THR 28 Cb -0.04 -1.17 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 3mdy s THR 28 CO -0.03 0.39 -0.04 -0.83 -0.69 0.00 0.00 174.62 173.43 3mdy s GLY 29 N 0.77 1.74 0.04 4.40 0.00 -0.10 -0.81 107.32 113.36 3mdy s GLY 29 Ca -0.12 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.77 3mdy s GLY 29 CO 0.02 -0.43 -0.05 1.06 0.00 0.00 0.00 173.10 173.71 3mdy s MET 30 N -0.41 0.45 1.08 2.90 -1.94 0.38 -0.88 119.30 120.88 3mdy s MET 30 Ca 0.07 -0.76 -0.16 0.00 -1.71 0.00 0.00 55.69 53.12 3mdy s MET 30 Cb -0.12 -0.07 0.23 0.00 2.01 0.00 0.00 34.83 36.88 3mdy s MET 30 CO 0.02 -0.01 1.13 -0.51 -0.01 0.00 0.00 175.02 175.64 3mdy s LEU 31 N -1.72 1.36 0.44 -0.03 1.43 -0.02 -1.05 118.68 119.09 3mdy s LEU 31 Ca -0.10 0.78 0.21 0.00 -1.03 0.00 0.00 54.13 53.99 3mdy s LEU 31 Cb -0.08 -2.76 1.04 0.00 0.03 0.00 0.00 46.19 44.43 3mdy s LEU 31 CO -0.01 -3.46 1.92 -0.08 0.23 0.00 0.00 176.35 174.94 3mdy h GLU 32 N -2.13 0.00 0.00 1.70 4.81 -1.88 -2.20 114.58 114.88 3mdy h GLU 32 Ca -0.48 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3mdy h GLU 32 Cb 1.30 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 3mdy h GLU 32 CO 0.45 0.25 -0.02 0.38 -0.73 0.00 0.00 179.01 179.34 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 0.56 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.85 3mdy h ASP 33 CO 0.03 0.02 0.00 0.61 -2.04 0.00 0.00 179.24 177.86 3mdy n GLY 34 N 0.74 1.91 3.69 7.15 0.00 -0.83 -5.09 105.19 112.76 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 -0.28 4.14 0.23 1.61 2.20 -1.26 -4.69 119.74 121.70 3mdy s LYS 35 Ca 0.00 2.56 -0.30 0.00 -0.36 0.00 0.00 55.97 57.87 3mdy s LYS 35 Cb 0.00 -3.68 -0.09 0.00 -1.51 0.00 0.00 37.83 32.55 3mdy s LYS 35 CO 0.00 -0.85 0.95 0.21 -0.36 0.00 0.00 175.35 175.30 3mdy s LYS 36 N 2.99 4.84 0.00 4.03 2.20 -1.26 -0.84 119.74 131.69 3mdy s LYS 36 Ca 0.81 1.50 0.00 0.00 -0.36 0.00 0.00 55.97 57.92 3mdy s LYS 36 Cb -0.45 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 3mdy s LYS 36 CO 0.36 0.49 0.00 1.97 -0.36 0.00 0.00 175.35 177.81 3mdy n PHE 37 N 1.55 0.00 -3.59 4.03 1.16 -0.06 -4.95 117.46 115.60 3mdy n PHE 37 Ca -0.02 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.44 3mdy n PHE 37 Cb 0.47 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.28 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 -1.08 -0.48 -0.27 5.98 2.15 -1.22 -5.01 116.67 116.74 3mdy s ASP 38 Ca 0.00 0.68 -0.10 0.00 0.43 0.00 0.00 52.55 53.56 3mdy s ASP 38 Cb 0.00 0.61 0.11 0.00 -0.30 0.00 0.00 42.92 43.34 3mdy s ASP 38 CO 0.00 -0.33 0.59 -0.55 -0.17 0.00 0.00 175.17 174.71 3mdy s SER 39 N -0.61 -0.90 0.51 -0.34 0.15 -1.26 -0.93 113.70 110.31 3mdy s SER 39 Ca -0.02 1.42 0.30 0.00 0.70 0.00 0.00 55.95 58.34 3mdy s SER 39 Cb -0.02 1.94 1.14 0.00 -1.71 0.00 0.00 66.02 67.38 3mdy s SER 39 CO 0.01 -0.22 1.91 0.77 1.20 0.00 0.00 173.24 176.90 3mdy h SER 40 N 7.91 0.00 0.11 5.45 4.64 -1.58 -2.95 113.55 127.14 3mdy h SER 40 Ca -0.19 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.94 3mdy h SER 40 Cb 1.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3mdy h SER 40 CO 0.12 0.08 -0.69 0.03 -0.87 0.00 0.00 176.83 175.49 3mdy h ARG 41 N 0.00 0.53 0.00 4.77 3.08 -1.84 -1.04 114.38 119.88 3mdy h ARG 41 Ca -0.00 -0.40 -0.03 0.00 0.07 0.00 0.00 59.98 59.61 3mdy h ARG 41 Cb 0.62 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 3mdy h ARG 41 CO 0.01 1.03 -0.15 -0.44 -1.07 0.00 0.00 179.97 179.35 3mdy h ASP 42 N 0.37 0.00 -0.44 7.04 3.32 -1.86 -2.27 116.42 122.58 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 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3mdy h ASP 42 CO 0.13 0.15 0.00 -2.11 -1.72 0.00 0.00 179.24 175.69 3mdy n ARG 43 N -3.64 2.59 -4.17 3.56 1.85 -1.16 -4.99 116.66 110.70 3mdy n ARG 43 Ca -0.02 -2.19 -0.32 0.00 -1.00 0.00 0.00 57.85 54.32 3mdy n ARG 43 Cb 0.28 -1.39 -0.04 0.00 -1.05 0.00 0.00 32.46 30.26 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 -1.20 -3.65 2.89 2.85 -0.46 -4.95 115.26 111.74 3mdy n ASN 44 Ca 0.16 -1.08 -0.23 0.00 -0.11 0.00 0.00 54.58 53.32 3mdy n ASN 44 Cb 0.50 -2.54 -0.17 0.00 1.24 0.00 0.00 39.78 38.81 3mdy n ASN 44 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 3mdy s LYS 45 N -6.91 0.04 0.88 1.20 2.20 -0.81 -5.04 119.74 111.31 3mdy s LYS 45 Ca 0.32 0.13 -0.11 0.00 -0.36 0.00 0.00 55.97 55.95 3mdy s LYS 45 Cb -0.18 -1.19 0.13 0.00 -1.51 0.00 0.00 37.83 35.08 3mdy s LYS 45 CO 0.94 -0.49 1.15 -2.30 -0.36 0.00 0.00 175.35 174.28 3mdy n PRO 46 N 5.27 -0.25 -4.62 4.03 -0.02 -1.26 -4.69 135.00 133.46 3mdy n PRO 46 Ca -0.05 -0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.09 3mdy n PRO 46 Cb 0.49 -2.39 -0.13 0.00 -0.02 0.00 0.00 33.50 31.46 3mdy n PRO 46 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3mdy s PHE 47 N -2.47 2.91 -0.08 6.00 5.36 0.34 -4.91 117.98 125.13 3mdy s PHE 47 Ca 0.69 -0.33 0.01 0.00 -0.96 0.00 0.00 56.93 56.34 3mdy s PHE 47 Cb -0.25 -1.84 -0.03 0.00 -0.34 0.00 0.00 43.02 40.57 3mdy s PHE 47 CO 0.56 0.01 -0.08 0.15 -1.46 0.00 0.00 175.22 174.40 3mdy s LYS 48 N -0.00 2.86 -0.01 10.12 1.02 -1.26 -0.64 119.74 131.83 3mdy s LYS 48 Ca -0.01 -0.57 -0.15 0.00 0.02 0.00 0.00 55.97 55.26 3mdy s LYS 48 Cb -0.14 -2.60 0.02 0.00 -0.52 0.00 0.00 37.83 34.59 3mdy s LYS 48 CO 0.03 0.59 0.31 -0.59 -0.92 0.00 0.00 175.35 174.77 3mdy s PHE 49 N -0.61 -0.17 -0.25 3.18 -0.12 -0.43 -4.99 117.98 114.58 3mdy s PHE 49 Ca 0.09 0.22 -0.16 0.00 -0.05 0.00 0.00 56.93 57.03 3mdy s PHE 49 Cb -0.12 0.09 -0.03 0.00 -0.63 0.00 0.00 43.02 42.33 3mdy s PHE 49 CO 0.02 -0.40 0.43 1.41 -0.05 0.00 0.00 175.22 176.62 3mdy s MET 50 N -1.49 4.06 0.12 1.99 -2.45 -1.26 -0.37 119.30 119.90 3mdy s MET 50 Ca -0.13 0.17 -0.34 0.00 -1.25 0.00 0.00 55.69 54.14 3mdy s MET 50 Cb -0.05 -3.63 -0.14 0.00 1.25 0.00 0.00 34.83 32.26 3mdy s MET 50 CO 0.03 -0.26 1.60 -0.11 1.05 0.00 0.00 175.02 177.33 3mdy n LEU 51 N 5.25 3.00 0.00 4.11 7.94 -1.07 -2.47 117.00 133.76 3mdy n LEU 51 Ca -0.07 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.90 3mdy n LEU 51 Cb 0.50 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 43.06 3mdy n LEU 51 CO 0.39 -0.33 0.00 0.61 -1.11 0.00 0.00 177.39 176.95 3mdy n GLY 52 N 3.47 0.78 0.02 -3.96 0.00 -1.26 -1.84 105.19 102.41 3mdy n GLY 52 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 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 0.08 -2.43 1.61 4.76 -1.03 -4.97 118.16 114.18 3mdy n LYS 53 Ca 0.00 -0.04 -0.15 0.00 -2.87 0.00 0.00 58.31 55.25 3mdy n LYS 53 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 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 -1.42 -1.85 0.12 1.97 6.02 -1.26 -4.89 117.38 116.06 3mdy n GLN 54 Ca 0.07 0.71 -0.02 0.00 -0.01 0.00 0.00 57.00 57.75 3mdy n GLN 54 Cb 0.33 -5.05 0.13 0.00 1.02 0.00 0.00 30.24 26.68 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 -0.28 0.02 -6.34 -1.09 5.08 -1.93 -3.45 114.58 106.58 3mdy h GLU 55 Ca -0.37 -0.02 -0.62 0.00 -1.00 0.00 0.00 59.36 57.36 3mdy h GLU 55 Cb 1.26 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.37 3mdy h GLU 55 CO 0.42 0.68 -0.77 0.14 -1.00 0.00 0.00 179.01 178.48 3mdy s VAL 56 N -3.51 2.52 0.41 3.13 -7.23 -1.26 -5.11 120.40 109.36 3mdy s VAL 56 Ca -0.01 -2.24 -0.23 0.00 -1.81 0.00 0.00 61.98 57.69 3mdy s VAL 56 Cb 0.12 -2.29 -0.13 0.00 0.56 0.00 0.00 36.38 34.65 3mdy s VAL 56 CO 0.77 -0.30 0.60 2.30 -0.31 0.00 0.00 175.10 178.16 3mdy n ILE 57 N -0.34 1.84 -0.34 -0.62 -5.35 -1.26 -4.73 119.36 108.56 3mdy n ILE 57 Ca -0.08 -0.50 0.06 0.00 -0.27 0.00 0.00 62.75 61.96 3mdy n ILE 57 Cb 0.59 -0.59 0.24 0.00 -1.74 0.00 0.00 39.64 38.14 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 0.91 0.98 -0.84 6.28 2.43 -1.87 -1.09 114.38 121.18 3mdy h ARG 58 Ca -0.40 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 58.80 3mdy h ARG 58 Cb 1.39 -0.22 -0.06 0.00 -0.42 0.00 0.00 29.97 30.66 3mdy h ARG 58 CO 0.52 0.65 0.55 0.78 -1.51 0.00 0.00 179.97 180.96 3mdy h GLY 59 N 1.01 1.17 0.93 2.80 0.00 -1.41 -0.10 103.07 107.46 3mdy h GLY 59 Ca 0.45 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 3mdy h GLY 59 CO -0.21 0.21 -0.09 1.49 0.00 0.00 0.00 176.54 177.95 3mdy h TRP 60 N 0.84 -0.22 -0.32 5.60 4.06 -1.44 0.22 115.95 124.69 3mdy h TRP 60 Ca 0.38 -0.01 -0.07 0.00 2.06 0.00 0.00 58.89 61.25 3mdy h TRP 60 Cb 0.37 0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.58 3mdy h TRP 60 CO -0.00 -0.08 -0.10 0.93 -3.56 0.00 0.00 178.44 175.63 3mdy h GLU 61 N -0.31 0.53 -0.13 0.49 5.08 -1.33 0.50 114.58 119.41 3mdy h GLU 61 Ca -0.02 -0.15 -0.19 0.00 -1.00 0.00 0.00 59.36 57.99 3mdy h GLU 61 Cb 0.24 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3mdy h GLU 61 CO 0.04 0.64 -0.71 1.49 -1.00 0.00 0.00 179.01 179.46 3mdy h GLU 62 N 0.49 0.57 0.05 2.33 4.81 -0.95 -2.39 114.58 119.49 3mdy h GLU 62 Ca 0.09 -0.45 -0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3mdy h GLU 62 Cb 0.48 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3mdy h GLU 62 CO 0.03 1.07 -0.02 0.78 -0.73 0.00 0.00 179.01 180.13 3mdy h GLY 63 N 0.99 -0.07 1.53 1.92 0.00 -0.16 -3.36 103.07 103.94 3mdy h GLY 63 Ca -0.03 0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3mdy h GLY 63 CO 0.13 -0.02 -0.34 -2.08 0.00 0.00 0.00 176.54 174.23 3mdy h VAL 64 N -0.67 1.29 -0.77 4.60 2.07 -1.02 -2.93 116.25 118.82 3mdy h VAL 64 Ca -0.01 -1.44 0.14 0.00 0.82 0.00 0.00 66.70 66.21 3mdy h VAL 64 Cb 0.58 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 3mdy h VAL 64 CO 0.01 0.46 0.51 0.00 0.02 0.00 0.00 177.57 178.57 3mdy h ALA 65 N 1.19 2.04 -0.60 1.67 0.00 -1.57 -0.50 119.26 121.49 3mdy h ALA 65 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.71 3mdy h ALA 65 Cb 0.80 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.36 3mdy h ALA 65 CO 0.07 -0.24 0.32 0.00 0.00 0.00 0.00 179.25 179.40 3mdy n GLN 66 N -4.49 2.36 -4.30 0.00 10.64 -1.10 -4.39 117.38 116.10 3mdy n GLN 66 Ca 0.14 -2.08 -0.29 0.00 -1.83 0.00 0.00 57.00 52.95 3mdy n GLN 66 Cb 0.49 -1.87 -0.11 0.00 -0.86 0.00 0.00 30.24 27.90 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 -2.24 1.86 0.10 2.61 -1.94 -0.20 -5.11 119.30 114.39 3mdy s MET 67 Ca 0.38 -1.22 -0.11 0.00 -1.71 0.00 0.00 55.69 53.04 3mdy s MET 67 Cb 0.32 -2.12 -0.06 0.00 2.01 0.00 0.00 34.83 34.97 3mdy s MET 67 CO 0.08 0.46 0.44 -1.12 -0.01 0.00 0.00 175.02 174.87 3mdy s SER 68 N -2.37 6.68 0.07 3.03 0.01 -1.26 -4.27 113.70 115.59 3mdy s SER 68 Ca 0.20 0.86 -0.34 0.00 1.31 0.00 0.00 55.95 57.98 3mdy s SER 68 Cb -0.10 -2.20 -0.13 0.00 0.21 0.00 0.00 66.02 63.80 3mdy s SER 68 CO 0.12 0.15 1.71 0.52 0.41 0.00 0.00 173.24 176.15 3mdy n VAL 69 N 0.86 0.23 0.00 3.43 0.31 -0.26 -1.07 118.33 121.84 3mdy n VAL 69 Ca -0.07 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3mdy n VAL 69 Cb 0.52 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 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 3.83 0.93 3.82 2.92 0.00 0.99 -1.41 105.19 116.28 3mdy n GLY 70 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.99 4.16 -0.04 1.61 0.74 -0.23 -4.18 119.66 120.73 3mdy s GLN 71 Ca 0.00 1.09 0.02 0.00 0.05 0.00 0.00 55.36 56.53 3mdy s GLN 71 Cb 0.00 -2.17 0.01 0.00 1.10 0.00 0.00 33.01 31.95 3mdy s GLN 71 CO 0.00 -0.09 -0.10 0.50 -0.55 0.00 0.00 175.29 175.05 3mdy s ARG 72 N -3.36 1.18 -0.05 1.67 3.52 0.28 -1.06 118.95 121.13 3mdy s ARG 72 Ca 0.61 -0.32 -0.13 0.00 -0.13 0.00 0.00 55.73 55.76 3mdy s ARG 72 Cb -0.09 -1.06 0.02 0.00 -1.56 0.00 0.00 34.95 32.26 3mdy s ARG 72 CO 0.17 0.07 0.30 0.00 -0.81 0.00 0.00 175.30 175.03 3mdy s ALA 73 N 0.40 -0.74 -0.28 6.12 0.00 0.29 0.00 121.76 127.56 3mdy s ALA 73 Ca -0.07 0.47 -0.25 0.00 0.00 0.00 0.00 51.96 52.10 3mdy s ALA 73 Cb -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.89 3mdy s ALA 73 CO 0.01 -0.22 0.88 0.21 0.00 0.00 0.00 175.76 176.65 3mdy s LYS 74 N -0.85 4.09 -0.33 0.00 2.20 0.77 -1.56 119.74 124.07 3mdy s LYS 74 Ca -0.09 0.88 -0.11 0.00 -0.36 0.00 0.00 55.97 56.28 3mdy s LYS 74 Cb -0.04 -3.69 -0.01 0.00 -1.51 0.00 0.00 37.83 32.57 3mdy s LYS 74 CO 0.03 -0.66 0.20 -0.51 -0.36 0.00 0.00 175.35 174.05 3mdy s LEU 75 N 3.07 4.36 -0.29 5.43 1.02 0.14 -1.48 118.68 130.93 3mdy s LEU 75 Ca 0.37 -0.49 -0.10 0.00 0.02 0.00 0.00 54.13 53.93 3mdy s LEU 75 Cb -0.14 -2.08 -0.03 0.00 0.02 0.00 0.00 46.19 43.96 3mdy s LEU 75 CO 0.10 -0.23 0.15 -0.89 0.02 0.00 0.00 176.35 175.51 3mdy s THR 76 N 1.67 4.88 -0.16 5.49 2.01 -0.28 -1.04 115.64 128.21 3mdy s THR 76 Ca 0.05 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 61.96 3mdy s THR 76 Cb -0.17 -3.37 0.02 0.00 0.01 0.00 0.00 72.50 68.99 3mdy s THR 76 CO 0.09 0.20 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.43 3mdy s ILE 77 N 1.68 1.75 0.74 1.82 1.01 0.27 -1.06 121.20 127.42 3mdy s ILE 77 Ca 0.06 -0.75 -0.13 0.00 0.00 0.00 0.00 60.65 59.83 3mdy s ILE 77 Cb -0.16 -1.62 0.05 0.00 0.01 0.00 0.00 42.46 40.74 3mdy s ILE 77 CO 0.08 0.49 1.14 -0.94 0.00 0.00 0.00 174.94 175.70 3mdy s SER 78 N 1.39 4.40 0.38 3.58 1.04 0.46 -1.41 113.70 123.53 3mdy s SER 78 Ca 0.04 2.08 0.12 0.00 0.48 0.00 0.00 55.95 58.67 3mdy s SER 78 Cb -0.13 -2.56 0.92 0.00 0.10 0.00 0.00 66.02 64.35 3mdy s SER 78 CO -0.11 -2.11 1.86 -0.65 0.98 0.00 0.00 173.24 173.21 3mdy h PRO 79 N -0.62 0.56 0.00 4.02 0.11 -1.87 -0.74 132.00 133.47 3mdy h PRO 79 Ca -0.46 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3mdy h PRO 79 Cb 1.26 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3mdy h PRO 79 CO 0.50 0.37 -0.10 -0.44 -0.21 0.00 0.00 178.00 178.13 3mdy h ASP 80 N 0.58 0.00 -0.11 -2.05 3.32 -1.91 0.71 116.42 116.96 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 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 3mdy h ASP 80 CO -0.20 0.10 0.00 -1.22 -1.72 0.00 0.00 179.24 176.20 3mdy n TYR 81 N -4.28 0.12 0.00 4.55 4.02 -0.31 -4.86 117.16 116.40 3mdy n TYR 81 Ca -0.03 -0.06 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 3mdy n TYR 81 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 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 0.59 0.00 0.17 -0.72 0.00 -0.15 -1.01 120.51 119.38 3mdy n ALA 82 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.73 3mdy n ALA 82 Cb 0.42 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.13 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 0.65 -4.82 0.00 4.01 -1.17 -4.85 117.16 110.97 3mdy n TYR 83 Ca 0.00 -0.32 0.00 0.00 -0.16 0.00 0.00 57.90 57.42 3mdy n TYR 83 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 1.53 0.93 0.20 2.72 0.00 0.06 -0.91 105.19 109.71 3mdy n GLY 84 Ca 0.21 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.82 1.06 -0.23 4.61 0.00 -1.93 0.91 119.26 122.85 3mdy h ALA 85 Ca 0.00 -0.42 -0.20 0.00 0.00 0.00 0.00 54.91 54.29 3mdy h ALA 85 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.70 3mdy h ALA 85 CO 0.00 0.60 -0.65 1.15 0.00 0.00 0.00 179.25 180.35 3mdy h THR 86 N 0.25 1.28 0.00 0.00 2.02 -1.91 -3.38 112.91 111.17 3mdy h THR 86 Ca 0.02 -1.83 0.00 0.00 0.77 0.00 0.00 66.41 65.37 3mdy h THR 86 Cb 0.83 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 3mdy h THR 86 CO 0.07 0.59 0.00 0.61 0.37 0.00 0.00 175.52 177.16 3mdy n GLY 87 N 0.52 1.27 2.82 2.16 0.00 -0.09 -4.55 105.19 107.32 3mdy n GLY 87 Ca -0.06 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.08 -0.06 1.61 5.04 0.66 -4.93 115.29 117.53 3mdy s HIS 88 Ca 0.00 0.39 -0.38 0.00 -1.54 0.00 0.00 55.06 53.53 3mdy s HIS 88 Cb 0.00 -0.23 -0.16 0.00 0.04 0.00 0.00 32.58 32.23 3mdy s HIS 88 CO 0.00 -0.18 1.55 -2.30 -2.34 0.00 0.00 174.74 171.48 3mdy n PRO 89 N 4.66 1.30 -0.13 2.88 -0.02 -1.26 -1.09 135.00 141.35 3mdy n PRO 89 Ca -0.18 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3mdy n PRO 89 Cb 0.50 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 3.37 1.92 1.09 -1.23 0.00 -1.26 -4.70 105.19 104.38 3mdy n GLY 90 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.58 -4.08 -0.61 5.41 -0.31 -5.04 119.36 113.31 3mdy n ILE 91 Ca 0.00 0.19 -0.34 0.00 1.00 0.00 0.00 62.75 63.60 3mdy n ILE 91 Cb 0.00 -1.47 -0.15 0.00 -0.71 0.00 0.00 39.64 37.31 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 2.66 0.93 1.39 -1.09 -0.25 -4.95 121.20 117.90 3mdy s ILE 92 Ca 0.00 -0.74 -0.13 0.00 -2.23 0.00 0.00 60.65 57.55 3mdy s ILE 92 Cb 0.00 -2.16 0.15 0.00 -1.58 0.00 0.00 42.46 38.87 3mdy s ILE 92 CO 0.00 0.49 1.17 -2.16 -1.23 0.00 0.00 174.94 173.21 3mdy s PRO 93 N 1.31 0.94 0.41 2.79 0.04 -1.26 -0.25 135.00 138.98 3mdy s PRO 93 Ca 0.04 0.14 -0.27 0.00 0.04 0.00 0.00 61.00 60.95 3mdy s PRO 93 Cb -0.14 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 3mdy s PRO 93 CO -0.08 -2.31 1.46 -2.14 0.04 0.00 0.00 177.00 173.98 3mdy s PRO 94 N -5.41 3.91 -1.42 0.56 0.02 -1.26 -3.18 135.00 128.21 3mdy s PRO 94 Ca 0.66 2.50 -0.10 0.00 0.02 0.00 0.00 61.00 64.08 3mdy s PRO 94 Cb -0.12 -2.82 0.04 0.00 0.02 0.00 0.00 34.50 31.62 3mdy s PRO 94 CO 0.53 -0.67 1.06 0.72 -0.33 0.00 0.00 177.00 178.32 3mdy n HIS 95 N 0.15 -2.55 -2.98 6.54 8.25 0.31 -4.94 115.22 120.00 3mdy n HIS 95 Ca 0.03 0.96 -0.40 0.00 -0.26 0.00 0.00 57.72 58.04 3mdy n HIS 95 Cb 0.40 -4.57 -0.04 0.00 1.12 0.00 0.00 29.99 26.90 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 -3.34 3.37 -0.03 -1.41 0.00 -1.19 -4.82 121.76 114.34 3mdy s ALA 96 Ca 0.54 0.12 -0.27 0.00 0.00 0.00 0.00 51.96 52.36 3mdy s ALA 96 Cb -0.26 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 3mdy s ALA 96 CO 0.78 -0.27 0.86 0.99 0.00 0.00 0.00 175.76 178.12 3mdy s THR 97 N 1.21 4.94 0.13 0.00 2.01 -1.26 -3.29 115.64 119.38 3mdy s THR 97 Ca 0.39 1.80 0.08 0.00 0.31 0.00 0.00 61.69 64.27 3mdy s THR 97 Cb -0.18 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 3mdy s THR 97 CO 0.17 0.19 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.44 3mdy s LEU 98 N 0.96 3.01 -0.18 4.42 1.43 -0.50 -3.22 118.68 124.61 3mdy s LEU 98 Ca 0.46 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 3mdy s LEU 98 Cb -0.20 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.28 3mdy s LEU 98 CO 0.24 0.15 -0.17 -0.69 0.23 0.00 0.00 176.35 176.11 3mdy s VAL 99 N -1.40 1.86 -0.11 -1.59 1.01 -0.22 -0.56 120.40 119.39 3mdy s VAL 99 Ca 0.23 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.33 3mdy s VAL 99 Cb -0.10 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 3mdy s VAL 99 CO 0.14 0.45 -0.12 -0.36 0.00 0.00 0.00 175.10 175.21 3mdy s PHE 100 N 1.36 2.81 -0.39 5.22 0.08 -0.21 -0.47 117.98 126.38 3mdy s PHE 100 Ca 0.04 -0.47 -0.15 0.00 0.12 0.00 0.00 56.93 56.47 3mdy s PHE 100 Cb -0.14 -1.79 0.01 0.00 -0.57 0.00 0.00 43.02 40.53 3mdy s PHE 100 CO -0.11 -0.08 0.32 0.34 -0.10 0.00 0.00 175.22 175.59 3mdy s ASP 101 N 0.03 6.13 -0.03 1.36 -1.08 0.01 0.27 116.67 123.35 3mdy s ASP 101 Ca -0.04 -0.69 0.05 0.00 -0.52 0.00 0.00 52.55 51.35 3mdy s ASP 101 Cb -0.14 -2.17 -0.01 0.00 -1.46 0.00 0.00 42.92 39.14 3mdy s ASP 101 CO 0.04 -0.42 -0.17 -0.69 0.52 0.00 0.00 175.17 174.44 3mdy s VAL 102 N 1.82 1.42 -0.12 1.11 1.01 -0.60 -1.02 120.40 124.02 3mdy s VAL 102 Ca 0.07 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3mdy s VAL 102 Cb -0.18 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.01 3mdy s VAL 102 CO 0.11 0.41 -0.18 -0.70 0.00 0.00 0.00 175.10 174.74 3mdy s GLU 103 N -0.12 2.54 -0.63 2.72 2.12 -0.18 -0.55 118.70 124.60 3mdy s GLU 103 Ca -0.00 -0.68 -0.26 0.00 0.36 0.00 0.00 54.97 54.39 3mdy s GLU 103 Cb -0.10 -2.12 0.04 0.00 0.26 0.00 0.00 34.13 32.21 3mdy s GLU 103 CO 0.01 -0.05 1.14 -1.17 -0.54 0.00 0.00 175.26 174.65 3mdy s LEU 104 N 0.95 3.59 0.05 2.70 2.96 -0.22 -1.90 118.68 126.80 3mdy s LEU 104 Ca -0.06 -0.27 -0.14 0.00 -0.22 0.00 0.00 54.13 53.44 3mdy s LEU 104 Cb -0.15 -2.84 -0.32 0.00 0.50 0.00 0.00 46.19 43.38 3mdy s LEU 104 CO -0.02 -1.53 1.06 -0.07 -1.32 0.00 0.00 176.35 174.46 3mdy h LEU 105 N 12.00 0.83 -7.00 -0.68 3.38 -1.31 0.28 115.31 122.82 3mdy h LEU 105 Ca -0.26 -0.84 0.12 0.00 0.09 0.00 0.00 57.88 56.99 3mdy h LEU 105 Cb 1.06 -0.27 -0.23 0.00 0.09 0.00 0.00 40.66 41.32 3mdy h LEU 105 CO 1.19 1.64 0.63 -0.75 0.09 0.00 0.00 178.44 181.25 3mdy s LYS 106 N -2.77 0.51 -0.10 1.13 2.20 -1.12 -4.51 119.74 115.07 3mdy s LYS 106 Ca -0.09 0.06 0.03 0.00 -0.36 0.00 0.00 55.97 55.61 3mdy s LYS 106 Cb 0.05 0.24 -0.01 0.00 -1.51 0.00 0.00 37.83 36.60 3mdy s LYS 106 CO 0.94 -0.17 -0.21 -0.51 -0.36 0.00 0.00 175.35 175.03 3mdy s LEU 107 N -1.32 2.25 0.00 5.43 1.43 -1.26 -1.20 118.68 124.00 3mdy s LEU 107 Ca 0.02 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3mdy s LEU 107 Cb -0.01 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.76 3mdy s LEU 107 CO -0.02 0.18 0.00 -1.84 0.23 0.00 0.00 176.35 174.90