#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ts4 s THR 2 N 0.00 5.30 0.42 0.44 -4.23 -1.26 -4.27 115.64 112.04 1ts4 s THR 2 Ca 0.00 -0.73 -0.10 0.00 -1.18 0.00 0.00 61.69 59.68 1ts4 s THR 2 Cb 0.00 -3.77 -0.06 0.00 1.34 0.00 0.00 72.50 70.01 1ts4 s THR 2 CO 0.00 -0.15 0.79 0.54 -0.54 0.00 0.00 174.62 175.26 1ts4 s ASN 3 N -3.39 6.50 0.55 3.99 2.20 -1.26 -4.94 114.94 118.60 1ts4 s ASN 3 Ca 0.35 1.15 0.32 0.00 -0.94 0.00 0.00 52.86 53.74 1ts4 s ASN 3 Cb -0.11 -2.33 1.48 0.00 -2.00 0.00 0.00 41.25 38.30 1ts4 s ASN 3 CO 0.29 -0.43 1.86 0.44 -2.94 0.00 0.00 177.10 176.32 1ts4 h ASP 4 N 1.13 0.00 -0.02 3.54 3.32 -2.00 0.16 116.42 122.55 1ts4 h ASP 4 Ca -0.47 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 1ts4 h ASP 4 Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 1ts4 h ASP 4 CO 0.63 0.00 0.01 -1.13 -1.72 0.00 0.00 179.24 177.03 1ts4 h ASN 5 N 0.00 0.04 -0.07 6.45 -1.24 -2.01 -3.08 115.58 115.67 1ts4 h ASN 5 Ca 0.42 -0.24 0.04 0.00 0.71 0.00 0.00 56.30 57.23 1ts4 h ASN 5 Cb 1.75 -0.01 -0.06 0.00 0.73 0.00 0.00 38.32 40.74 1ts4 h ASN 5 CO -0.00 0.27 -0.34 0.40 -1.29 0.00 0.00 177.43 176.46 1ts4 h ILE 6 N -0.19 0.26 -0.66 2.57 1.08 -1.34 -2.21 117.51 117.02 1ts4 h ILE 6 Ca 0.01 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.59 1ts4 h ILE 6 Cb 0.24 0.26 -0.12 0.00 -3.07 0.00 0.00 36.82 34.13 1ts4 h ILE 6 CO 0.00 0.00 -0.33 0.11 -0.69 0.00 0.00 178.15 177.24 1ts4 h LYS 7 N -0.45 -0.12 -1.00 2.37 6.56 -1.55 0.14 116.57 122.51 1ts4 h LYS 7 Ca 0.08 0.01 0.19 0.00 -1.06 0.00 0.00 60.65 59.86 1ts4 h LYS 7 Cb 0.57 0.03 -0.11 0.00 -0.57 0.00 0.00 32.23 32.16 1ts4 h LYS 7 CO -0.32 -0.08 0.61 -0.44 -2.06 0.00 0.00 179.45 177.16 1ts4 h ASP 8 N -0.13 0.79 -0.35 0.86 5.19 -1.31 0.32 116.42 121.78 1ts4 h ASP 8 Ca 0.26 0.09 -0.09 0.00 -0.62 0.00 0.00 57.03 56.68 1ts4 h ASP 8 Cb 0.56 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 1ts4 h ASP 8 CO -0.73 0.28 -0.11 -0.07 -3.12 0.00 0.00 179.24 175.49 1ts4 h LEU 9 N 0.77 0.71 -0.34 1.55 3.38 -0.50 -2.31 115.31 118.57 1ts4 h LEU 9 Ca 0.58 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 58.20 1ts4 h LEU 9 Cb 0.89 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1ts4 h LEU 9 CO -0.38 0.93 0.15 0.25 0.09 0.00 0.00 178.44 179.48 1ts4 h LEU 10 N 0.49 0.19 -0.04 1.67 5.85 0.64 0.36 115.31 124.46 1ts4 h LEU 10 Ca 0.09 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1ts4 h LEU 10 Cb 0.63 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1ts4 h LEU 10 CO 0.04 0.15 -0.12 0.44 -0.34 0.00 0.00 178.44 178.61 1ts4 h ASP 11 N 0.31 -0.37 -0.33 1.25 5.19 -1.11 0.41 116.42 121.78 1ts4 h ASP 11 Ca 0.15 0.06 0.07 0.00 -0.62 0.00 0.00 57.03 56.69 1ts4 h ASP 11 Cb 0.09 0.16 -0.07 0.00 0.18 0.00 0.00 39.33 39.70 1ts4 h ASP 11 CO -0.13 -0.17 -0.12 -0.25 -3.12 0.00 0.00 179.24 175.46 1ts4 h TRP 12 N -0.19 -0.27 0.00 4.55 2.91 -0.93 -2.56 115.95 119.46 1ts4 h TRP 12 Ca 0.06 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.11 1ts4 h TRP 12 Cb 0.27 0.17 0.00 0.00 -0.51 0.00 0.00 29.16 29.09 1ts4 h TRP 12 CO -0.20 -0.18 0.00 0.66 -1.03 0.00 0.00 178.44 177.68 1ts4 n TYR 13 N -5.30 0.00 -1.67 2.65 4.01 0.07 -3.68 117.16 113.25 1ts4 n TYR 13 Ca 0.01 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 1ts4 n TYR 13 Cb 0.21 -0.27 0.20 0.00 -0.31 0.00 0.00 39.34 39.17 1ts4 n TYR 13 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1ts4 n SER 14 N -1.27 1.66 -0.79 7.72 3.41 0.09 -4.45 113.62 119.99 1ts4 n SER 14 Ca 0.14 -3.77 0.03 0.00 -0.26 0.00 0.00 58.87 55.01 1ts4 n SER 14 Cb 0.22 -0.51 0.18 0.00 -0.26 0.00 0.00 64.21 63.84 1ts4 n SER 14 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ts4 n SER 15 N -1.00 1.96 -0.54 4.04 3.41 -1.19 -5.02 113.62 115.29 1ts4 n SER 15 Ca 0.18 -3.78 0.07 0.00 -0.26 0.00 0.00 58.87 55.08 1ts4 n SER 15 Cb 0.72 -0.50 -0.02 0.00 -0.26 0.00 0.00 64.21 64.16 1ts4 n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ts4 n GLY 16 N -0.99 -0.69 1.57 5.00 0.00 -1.26 -5.00 105.19 103.82 1ts4 n GLY 16 Ca 0.20 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 1ts4 n GLY 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ts4 n SER 17 N -4.42 1.31 -4.08 1.61 3.41 -1.26 -4.87 113.62 105.32 1ts4 n SER 17 Ca 0.00 -2.01 -0.33 0.00 -0.26 0.00 0.00 58.87 56.27 1ts4 n SER 17 Cb 0.56 0.43 -0.14 0.00 -0.26 0.00 0.00 64.21 64.81 1ts4 n SER 17 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1ts4 s ASP 18 N -2.18 4.89 -0.21 4.04 1.11 0.89 -5.00 116.67 120.20 1ts4 s ASP 18 Ca 0.08 -1.87 -0.15 0.00 0.18 0.00 0.00 52.55 50.79 1ts4 s ASP 18 Cb 0.00 -1.69 -0.04 0.00 1.07 0.00 0.00 42.92 42.26 1ts4 s ASP 18 CO 0.06 -0.38 0.36 -0.89 1.18 0.00 0.00 175.17 175.50 1ts4 s THR 19 N 1.06 5.22 0.07 -1.27 2.01 -1.26 -2.32 115.64 119.15 1ts4 s THR 19 Ca 0.05 0.62 0.02 0.00 0.31 0.00 0.00 61.69 62.69 1ts4 s THR 19 Cb -0.20 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 1ts4 s THR 19 CO -0.05 0.26 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.70 1ts4 s PHE 20 N 1.31 0.80 0.06 4.92 0.40 0.55 -5.01 117.98 121.01 1ts4 s PHE 20 Ca 0.17 -0.66 0.02 0.00 -0.60 0.00 0.00 56.93 55.86 1ts4 s PHE 20 Cb -0.15 -0.47 -0.03 0.00 0.51 0.00 0.00 43.02 42.89 1ts4 s PHE 20 CO 0.07 -0.09 -0.08 0.95 0.70 0.00 0.00 175.22 176.77 1ts4 s THR 21 N -2.26 0.59 -1.41 0.64 -4.23 -1.26 -1.28 115.64 106.42 1ts4 s THR 21 Ca -0.01 -1.31 -0.03 0.00 -1.18 0.00 0.00 61.69 59.17 1ts4 s THR 21 Cb -0.04 -0.90 0.02 0.00 1.34 0.00 0.00 72.50 72.92 1ts4 s THR 21 CO -0.01 -0.51 0.56 -3.20 -0.54 0.00 0.00 174.62 170.92 1ts4 n ASN 22 N 1.07 -1.09 -4.89 3.99 5.15 -1.17 -4.56 115.26 113.76 1ts4 n ASN 22 Ca -0.20 -0.94 -0.29 0.00 -0.60 0.00 0.00 54.58 52.55 1ts4 n ASN 22 Cb 0.56 -3.36 -0.03 0.00 -0.53 0.00 0.00 39.78 36.42 1ts4 n ASN 22 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1ts4 s SER 23 N -4.21 6.48 -0.15 1.20 0.01 -0.31 -4.59 113.70 112.13 1ts4 s SER 23 Ca 0.11 0.92 -0.06 0.00 1.31 0.00 0.00 55.95 58.23 1ts4 s SER 23 Cb -0.06 -2.23 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 1ts4 s SER 23 CO 0.87 -0.30 0.07 -0.70 0.41 0.00 0.00 173.24 173.59 1ts4 s GLU 24 N -3.72 3.68 -0.23 12.44 2.12 0.09 -1.11 118.70 131.98 1ts4 s GLU 24 Ca 0.48 -0.30 -0.29 0.00 0.36 0.00 0.00 54.97 55.22 1ts4 s GLU 24 Cb -0.10 -3.14 -0.02 0.00 0.26 0.00 0.00 34.13 31.12 1ts4 s GLU 24 CO 0.31 0.48 1.46 0.08 -0.54 0.00 0.00 175.26 177.04 1ts4 s VAL 25 N -0.20 3.92 -0.17 3.70 1.01 -0.31 0.08 120.40 128.43 1ts4 s VAL 25 Ca 0.08 1.06 -0.08 0.00 0.00 0.00 0.00 61.98 63.04 1ts4 s VAL 25 Cb -0.12 -3.89 -0.22 0.00 0.00 0.00 0.00 36.38 32.15 1ts4 s VAL 25 CO 0.01 -0.33 0.17 0.18 0.00 0.00 0.00 175.10 175.14 1ts4 n LEU 26 N 7.84 2.53 -3.66 3.92 4.77 0.11 -1.00 117.00 131.50 1ts4 n LEU 26 Ca 0.17 0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 56.21 1ts4 n LEU 26 Cb 0.46 -1.03 -0.08 0.00 -2.33 0.00 0.00 43.42 40.43 1ts4 n LEU 26 CO 0.63 0.75 0.29 -0.62 -1.33 0.00 0.00 177.39 177.11 1ts4 s ASP 27 N -6.94 -0.69 -0.11 -1.43 2.15 -0.19 -4.82 116.67 104.65 1ts4 s ASP 27 Ca -0.27 1.26 -0.01 0.00 0.43 0.00 0.00 52.55 53.96 1ts4 s ASP 27 Cb 0.08 1.24 0.03 0.00 -0.30 0.00 0.00 42.92 43.97 1ts4 s ASP 27 CO 0.69 -0.22 -0.01 0.21 -0.17 0.00 0.00 175.17 175.67 1ts4 s ASN 28 N 0.67 2.01 0.17 -0.34 2.47 -1.26 0.44 114.94 119.10 1ts4 s ASN 28 Ca -0.03 -0.29 0.02 0.00 0.42 0.00 0.00 52.86 52.99 1ts4 s ASN 28 Cb -0.05 -0.58 -0.05 0.00 -1.45 0.00 0.00 41.25 39.12 1ts4 s ASN 28 CO -0.04 -0.20 -0.01 -0.44 -3.72 0.00 0.00 177.10 172.69 1ts4 s SER 29 N 1.88 1.34 -0.09 -4.21 0.01 -0.42 -5.03 113.70 107.18 1ts4 s SER 29 Ca 0.04 -1.15 -0.37 0.00 1.31 0.00 0.00 55.95 55.77 1ts4 s SER 29 Cb -0.13 0.09 -0.15 0.00 0.21 0.00 0.00 66.02 66.04 1ts4 s SER 29 CO -0.06 -0.53 1.62 -0.11 0.41 0.00 0.00 173.24 174.56 1ts4 n LEU 30 N -0.25 2.39 0.00 2.44 7.94 -1.26 -1.35 117.00 126.91 1ts4 n LEU 30 Ca -0.07 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.90 1ts4 n LEU 30 Cb 0.63 -1.22 0.00 0.00 0.53 0.00 0.00 43.42 43.36 1ts4 n LEU 30 CO 0.34 -0.56 0.00 0.61 -1.11 0.00 0.00 177.39 176.67 1ts4 n GLY 31 N 3.61 2.55 3.63 -3.96 0.00 -1.26 -4.99 105.19 104.77 1ts4 n GLY 31 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 1ts4 n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ts4 s SER 32 N -1.96 -0.35 0.01 1.61 1.04 -0.46 -0.03 113.70 113.57 1ts4 s SER 32 Ca 0.00 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1ts4 s SER 32 Cb 0.00 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 1ts4 s SER 32 CO 0.00 -0.96 -0.02 -0.04 0.98 0.00 0.00 173.24 173.20 1ts4 s MET 33 N -3.52 0.18 -0.31 4.02 1.00 0.38 -1.31 119.30 119.75 1ts4 s MET 33 Ca 0.07 -0.21 -0.08 0.00 0.00 0.00 0.00 55.69 55.47 1ts4 s MET 33 Cb -0.02 -0.08 0.01 0.00 0.00 0.00 0.00 34.83 34.73 1ts4 s MET 33 CO -0.03 0.02 0.11 1.03 0.00 0.00 0.00 175.02 176.14 1ts4 s ARG 34 N -0.43 3.10 -0.08 2.03 0.52 0.17 -1.25 118.95 123.01 1ts4 s ARG 34 Ca -0.03 -0.86 0.04 0.00 -0.52 0.00 0.00 55.73 54.35 1ts4 s ARG 34 Cb -0.03 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 31.98 1ts4 s ARG 34 CO -0.00 -0.48 -0.20 0.42 0.02 0.00 0.00 175.30 175.07 1ts4 s ILE 35 N 1.53 1.71 -0.40 1.52 1.01 -0.41 0.06 121.20 126.20 1ts4 s ILE 35 Ca 0.03 -0.83 -0.25 0.00 0.00 0.00 0.00 60.65 59.60 1ts4 s ILE 35 Cb -0.17 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 40.83 1ts4 s ILE 35 CO 0.04 0.48 0.89 -0.75 0.00 0.00 0.00 174.94 175.60 1ts4 s LYS 36 N 0.35 3.69 0.78 2.79 2.47 0.11 -0.71 119.74 129.22 1ts4 s LYS 36 Ca -0.14 0.35 -0.11 0.00 -1.56 0.00 0.00 55.97 54.50 1ts4 s LYS 36 Cb -0.16 -3.85 0.06 0.00 -1.46 0.00 0.00 37.83 32.41 1ts4 s LYS 36 CO 0.06 -1.03 1.09 -0.80 0.16 0.00 0.00 175.35 174.83 1ts4 s ASN 37 N 2.02 4.64 0.16 1.43 0.01 -0.18 -0.73 114.94 122.29 1ts4 s ASN 37 Ca 0.36 1.39 -0.15 0.00 -0.71 0.00 0.00 52.86 53.74 1ts4 s ASN 37 Cb -0.12 -2.15 0.07 0.00 0.41 0.00 0.00 41.25 39.47 1ts4 s ASN 37 CO 0.21 -1.89 1.77 0.71 -1.51 0.00 0.00 177.10 176.40 1ts4 h THR 38 N -1.03 0.96 0.00 1.60 1.35 -1.81 -1.70 112.91 112.28 1ts4 h THR 38 Ca -0.46 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1ts4 h THR 38 Cb 1.26 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1ts4 h THR 38 CO 0.58 0.07 0.00 -0.90 -0.25 0.00 0.00 175.52 175.03 1ts4 n ASP 39 N -4.93 0.00 0.00 5.36 5.75 -1.26 -4.79 116.55 116.67 1ts4 n ASP 39 Ca 0.02 -1.22 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 1ts4 n ASP 39 Cb 0.11 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 1ts4 n ASP 39 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ts4 n GLY 40 N 0.11 0.75 3.88 6.12 0.00 -0.64 -5.03 105.19 110.38 1ts4 n GLY 40 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1ts4 n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ts4 s SER 41 N -2.50 6.38 -0.15 1.61 1.04 -1.26 -4.66 113.70 114.16 1ts4 s SER 41 Ca 0.00 1.16 -0.03 0.00 0.48 0.00 0.00 55.95 57.56 1ts4 s SER 41 Cb 0.00 -2.34 -0.03 0.00 0.10 0.00 0.00 66.02 63.75 1ts4 s SER 41 CO 0.00 -0.58 -0.04 -0.63 0.98 0.00 0.00 173.24 172.97 1ts4 s ILE 42 N -2.70 3.92 -0.24 -1.02 -1.09 -0.21 -1.01 121.20 118.85 1ts4 s ILE 42 Ca 0.51 -0.35 -0.05 0.00 -2.23 0.00 0.00 60.65 58.53 1ts4 s ILE 42 Cb -0.10 -2.71 -0.01 0.00 -1.58 0.00 0.00 42.46 38.06 1ts4 s ILE 42 CO 0.41 0.50 -0.00 -0.44 -1.23 0.00 0.00 174.94 174.18 1ts4 s SER 43 N 0.26 4.58 -0.41 3.58 0.01 0.11 -0.38 113.70 121.45 1ts4 s SER 43 Ca -0.03 -0.40 -0.15 0.00 1.31 0.00 0.00 55.95 56.68 1ts4 s SER 43 Cb -0.14 -1.79 0.02 0.00 0.21 0.00 0.00 66.02 64.32 1ts4 s SER 43 CO 0.03 -0.05 0.31 -0.22 0.41 0.00 0.00 173.24 173.72 1ts4 s LEU 44 N 1.51 5.13 -0.06 2.44 2.96 0.97 -1.29 118.68 130.33 1ts4 s LEU 44 Ca 0.05 -0.91 0.06 0.00 -0.22 0.00 0.00 54.13 53.11 1ts4 s LEU 44 Cb -0.15 -2.17 -0.01 0.00 0.50 0.00 0.00 46.19 44.36 1ts4 s LEU 44 CO -0.01 -0.47 -0.23 -0.63 -1.32 0.00 0.00 176.35 173.69 1ts4 s ILE 45 N 1.70 2.21 -0.03 6.68 1.01 -0.38 -1.09 121.20 131.29 1ts4 s ILE 45 Ca 0.05 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.67 1ts4 s ILE 45 Cb -0.19 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1ts4 s ILE 45 CO 0.10 0.57 0.08 0.27 0.00 0.00 0.00 174.94 175.96 1ts4 s ILE 46 N -0.25 4.75 -0.41 2.92 -4.36 -0.70 -0.47 121.20 122.68 1ts4 s ILE 46 Ca -0.01 -0.33 0.02 0.00 -0.26 0.00 0.00 60.65 60.07 1ts4 s ILE 46 Cb -0.13 -3.14 0.12 0.00 1.25 0.00 0.00 42.46 40.57 1ts4 s ILE 46 CO 0.03 0.41 0.19 -0.36 0.24 0.00 0.00 174.94 175.45 1ts4 s PHE 47 N -1.14 2.17 0.19 1.37 0.08 0.96 -1.51 117.98 120.11 1ts4 s PHE 47 Ca 0.21 -2.38 -0.07 0.00 0.12 0.00 0.00 56.93 54.81 1ts4 s PHE 47 Cb -0.12 -2.02 0.11 0.00 -0.57 0.00 0.00 43.02 40.43 1ts4 s PHE 47 CO 0.11 -0.82 1.61 -1.00 -0.10 0.00 0.00 175.22 175.03 1ts4 h PRO 48 N 7.10 0.92 -6.65 0.24 0.13 -1.80 -3.39 132.00 128.55 1ts4 h PRO 48 Ca -0.05 -0.35 -0.52 0.00 -0.87 0.00 0.00 66.00 64.21 1ts4 h PRO 48 Cb 0.95 -0.05 0.02 0.00 0.13 0.00 0.00 31.00 32.05 1ts4 h PRO 48 CO 0.50 1.01 0.58 0.45 -0.23 0.00 0.00 178.00 180.30 1ts4 s SER 49 N -6.70 7.05 0.04 1.44 0.15 -1.11 -4.86 113.70 109.71 1ts4 s SER 49 Ca -0.11 2.24 0.25 0.00 0.70 0.00 0.00 55.95 59.04 1ts4 s SER 49 Cb 0.13 -2.60 1.05 0.00 -1.71 0.00 0.00 66.02 62.88 1ts4 s SER 49 CO 0.85 -0.41 1.80 -0.81 1.20 0.00 0.00 173.24 175.88 1ts4 n PRO 50 N 2.67 0.04 0.11 5.44 -0.04 -1.26 -3.32 135.00 138.64 1ts4 n PRO 50 Ca 0.05 0.10 -0.23 0.00 -0.04 0.00 0.00 63.50 63.37 1ts4 n PRO 50 Cb 0.44 -1.55 -0.15 0.00 -0.04 0.00 0.00 33.50 32.20 1ts4 n PRO 50 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1ts4 h TYR 51 N 0.00 0.82 -3.66 0.54 0.05 -1.90 -3.39 116.97 109.42 1ts4 h TYR 51 Ca 0.00 -0.60 -0.76 0.00 0.05 0.00 0.00 58.73 57.42 1ts4 h TYR 51 Cb 0.47 -0.03 -0.30 0.00 1.01 0.00 0.00 36.73 37.88 1ts4 h TYR 51 CO 0.00 1.55 0.01 -0.47 -1.05 0.00 0.00 178.16 178.20 1ts4 s TYR 52 N -2.56 3.76 -0.48 4.88 6.14 -1.20 -4.36 117.35 123.53 1ts4 s TYR 52 Ca -0.12 -2.41 0.03 0.00 0.64 0.00 0.00 57.07 55.21 1ts4 s TYR 52 Cb 0.04 -3.59 0.13 0.00 0.42 0.00 0.00 41.96 38.95 1ts4 s TYR 52 CO 0.90 -0.92 0.23 0.45 0.64 0.00 0.00 175.55 176.85 1ts4 s SER 53 N 1.37 4.13 -0.21 4.32 0.15 -1.26 -4.66 113.70 117.54 1ts4 s SER 53 Ca 0.21 -2.80 -0.38 0.00 0.70 0.00 0.00 55.95 53.67 1ts4 s SER 53 Cb -0.12 -1.43 -0.18 0.00 -1.71 0.00 0.00 66.02 62.58 1ts4 s SER 53 CO -0.08 -0.26 1.18 -2.65 1.20 0.00 0.00 173.24 172.63 1ts4 n PRO 54 N 3.36 0.00 -0.17 5.44 -0.02 -1.26 -4.92 135.00 137.43 1ts4 n PRO 54 Ca 0.06 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.61 1ts4 n PRO 54 Cb 0.34 -1.33 0.15 0.00 -0.02 0.00 0.00 33.50 32.63 1ts4 n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ts4 n ALA 55 N 2.40 2.39 -1.77 3.55 0.00 -1.26 -4.99 120.51 120.84 1ts4 n ALA 55 Ca 0.22 -2.02 -0.40 0.00 0.00 0.00 0.00 53.44 51.24 1ts4 n ALA 55 Cb 0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 19.45 19.04 1ts4 n ALA 55 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ts4 s PHE 56 N -2.24 3.04 0.40 0.00 0.08 -1.26 -5.01 117.98 112.98 1ts4 s PHE 56 Ca 0.27 1.46 -0.04 0.00 0.12 0.00 0.00 56.93 58.74 1ts4 s PHE 56 Cb 0.22 -3.60 -0.04 0.00 -0.57 0.00 0.00 43.02 39.02 1ts4 s PHE 56 CO 0.06 -1.73 0.67 0.95 -0.10 0.00 0.00 175.22 175.07 1ts4 s THR 57 N -1.21 4.98 -0.31 0.64 -4.23 -1.26 -4.83 115.64 109.41 1ts4 s THR 57 Ca 0.52 0.01 -0.35 0.00 -1.18 0.00 0.00 61.69 60.69 1ts4 s THR 57 Cb -0.37 -3.83 -0.11 0.00 1.34 0.00 0.00 72.50 69.53 1ts4 s THR 57 CO 0.49 -0.63 2.14 1.17 -0.54 0.00 0.00 174.62 177.25 1ts4 n LYS 58 N -1.78 1.25 0.00 3.99 4.81 -1.26 -1.30 118.16 123.86 1ts4 n LYS 58 Ca -0.01 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1ts4 n LYS 58 Cb 0.55 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.08 1ts4 n LYS 58 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ts4 n GLY 59 N 6.16 1.23 3.77 3.14 0.00 -0.17 -5.01 105.19 114.32 1ts4 n GLY 59 Ca 0.38 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 1ts4 n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ts4 s GLU 60 N 0.00 2.67 0.14 1.61 2.02 -0.42 -4.63 118.70 120.09 1ts4 s GLU 60 Ca 0.00 1.36 -0.10 0.00 0.02 0.00 0.00 54.97 56.25 1ts4 s GLU 60 Cb 0.00 -1.94 -0.06 0.00 0.10 0.00 0.00 34.13 32.23 1ts4 s GLU 60 CO 0.00 -1.35 0.46 0.15 0.02 0.00 0.00 175.26 174.54 1ts4 s LYS 61 N -4.24 3.79 0.13 1.61 -0.14 -1.26 -1.16 119.74 118.47 1ts4 s LYS 61 Ca 0.66 0.22 -0.12 0.00 -1.36 0.00 0.00 55.97 55.36 1ts4 s LYS 61 Cb -0.20 -2.87 0.01 0.00 -1.68 0.00 0.00 37.83 33.09 1ts4 s LYS 61 CO 0.44 0.47 0.33 0.14 -0.76 0.00 0.00 175.35 175.97 1ts4 s VAL 62 N -1.56 0.09 0.28 3.17 -7.23 -0.26 -4.49 120.40 110.40 1ts4 s VAL 62 Ca 0.39 -0.97 0.08 0.00 -1.81 0.00 0.00 61.98 59.67 1ts4 s VAL 62 Cb -0.13 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 1ts4 s VAL 62 CO 0.20 -0.39 0.13 -1.81 -0.31 0.00 0.00 175.10 172.92 1ts4 s ASP 63 N -2.87 5.00 -0.06 4.85 1.01 0.57 -1.16 116.67 124.01 1ts4 s ASP 63 Ca 0.08 -0.51 -0.01 0.00 0.71 0.00 0.00 52.55 52.81 1ts4 s ASP 63 Cb 0.03 -1.04 0.03 0.00 1.01 0.00 0.00 42.92 42.95 1ts4 s ASP 63 CO -0.08 -0.11 0.02 -0.76 0.21 0.00 0.00 175.17 174.45 1ts4 s LEU 64 N -3.80 0.55 -0.52 1.23 1.02 -0.41 -2.11 118.68 114.63 1ts4 s LEU 64 Ca 0.34 -0.03 0.07 0.00 0.02 0.00 0.00 54.13 54.53 1ts4 s LEU 64 Cb -0.06 -0.33 0.25 0.00 0.02 0.00 0.00 46.19 46.06 1ts4 s LEU 64 CO 0.23 -0.20 0.63 0.59 0.02 0.00 0.00 176.35 177.62 1ts4 n ASN 65 N 5.05 2.04 -4.83 2.29 4.13 -0.52 -0.33 115.26 123.09 1ts4 n ASN 65 Ca -0.09 -3.08 -0.30 0.00 1.68 0.00 0.00 54.58 52.80 1ts4 n ASN 65 Cb 0.50 -0.66 -0.04 0.00 -1.54 0.00 0.00 39.78 38.04 1ts4 n ASN 65 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1ts4 s THR 66 N -1.81 1.36 0.10 3.41 -1.32 -0.98 -4.52 115.64 111.89 1ts4 s THR 66 Ca 0.37 -1.78 0.07 0.00 -1.21 0.00 0.00 61.69 59.14 1ts4 s THR 66 Cb 0.15 -2.13 -0.03 0.00 -1.51 0.00 0.00 72.50 68.97 1ts4 s THR 66 CO -0.06 0.00 -0.17 -0.54 -2.21 0.00 0.00 174.62 171.64 1ts4 s LYS 67 N -4.06 1.02 -0.09 7.08 1.02 -1.26 -0.08 119.74 123.37 1ts4 s LYS 67 Ca 0.18 -1.14 -0.24 0.00 0.02 0.00 0.00 55.97 54.78 1ts4 s LYS 67 Cb -0.00 -1.07 -0.03 0.00 -0.52 0.00 0.00 37.83 36.20 1ts4 s LYS 67 CO 0.11 0.23 0.75 1.03 -0.92 0.00 0.00 175.35 176.55 1ts4 s ARG 68 N -2.15 4.41 0.35 1.68 0.52 -1.26 -1.74 118.95 120.75 1ts4 s ARG 68 Ca 0.05 0.94 0.19 0.00 -0.52 0.00 0.00 55.73 56.40 1ts4 s ARG 68 Cb -0.08 -3.48 0.19 0.00 0.52 0.00 0.00 34.95 32.10 1ts4 s ARG 68 CO 0.04 -0.04 1.48 1.79 0.02 0.00 0.00 175.30 178.58 1ts4 h THR 69 N 4.87 0.37 -2.13 0.02 1.35 -0.88 -3.48 112.91 113.03 1ts4 h THR 69 Ca -0.38 -1.54 0.18 0.00 -0.55 0.00 0.00 66.41 64.12 1ts4 h THR 69 Cb 1.18 2.15 -0.12 0.00 -1.73 0.00 0.00 68.15 69.63 1ts4 h THR 69 CO 0.77 0.21 0.56 -1.59 -0.25 0.00 0.00 175.52 175.22 1ts4 s LYS 70 N -3.10 0.90 0.05 4.72 -2.85 -1.25 -5.07 119.74 113.13 1ts4 s LYS 70 Ca 0.05 -0.45 -0.37 0.00 -1.00 0.00 0.00 55.97 54.21 1ts4 s LYS 70 Cb 0.06 0.34 -0.16 0.00 -2.06 0.00 0.00 37.83 36.01 1ts4 s LYS 70 CO 0.71 -0.41 1.43 1.17 0.10 0.00 0.00 175.35 178.36 1ts4 n LYS 71 N -0.37 1.30 -1.68 1.78 4.81 -1.26 -4.50 118.16 118.24 1ts4 n LYS 71 Ca -0.07 0.47 -0.34 0.00 -0.87 0.00 0.00 58.31 57.50 1ts4 n LYS 71 Cb 0.61 -2.14 0.06 0.00 0.02 0.00 0.00 35.03 33.58 1ts4 n LYS 71 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1ts4 s SER 72 N 1.01 4.78 0.13 3.14 0.01 -1.26 -4.85 113.70 116.66 1ts4 s SER 72 Ca 0.86 2.18 -0.02 0.00 1.31 0.00 0.00 55.95 60.28 1ts4 s SER 72 Cb -0.93 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 62.70 1ts4 s SER 72 CO 0.48 -1.86 0.09 -1.10 0.41 0.00 0.00 173.24 171.26 1ts4 s GLN 73 N -3.91 0.95 -0.08 12.44 -0.21 -0.55 -4.95 119.66 123.34 1ts4 s GLN 73 Ca 0.71 -1.39 -0.10 0.00 0.02 0.00 0.00 55.36 54.59 1ts4 s GLN 73 Cb -0.25 0.26 -0.05 0.00 1.00 0.00 0.00 33.01 33.98 1ts4 s GLN 73 CO 0.41 -0.28 0.25 -1.01 -2.12 0.00 0.00 175.29 172.55 1ts4 s HIS 74 N -4.03 3.64 0.66 0.91 3.76 -1.26 0.97 115.29 119.93 1ts4 s HIS 74 Ca 0.23 0.71 0.01 0.00 -0.15 0.00 0.00 55.06 55.86 1ts4 s HIS 74 Cb 0.07 -2.10 0.10 0.00 1.11 0.00 0.00 32.58 31.75 1ts4 s HIS 74 CO 0.01 0.67 0.91 0.95 -0.85 0.00 0.00 174.74 176.43 1ts4 s THR 75 N -0.95 2.28 0.33 1.30 -4.23 0.76 -4.93 115.64 110.19 1ts4 s THR 75 Ca 0.18 -0.67 0.01 0.00 -1.18 0.00 0.00 61.69 60.04 1ts4 s THR 75 Cb -0.14 -2.61 0.24 0.00 1.34 0.00 0.00 72.50 71.33 1ts4 s THR 75 CO 0.08 0.00 1.97 0.77 -0.54 0.00 0.00 174.62 176.89 1ts4 h SER 76 N -0.27 0.76 -0.03 3.99 4.64 -1.99 -1.31 113.55 119.33 1ts4 h SER 76 Ca -0.37 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1ts4 h SER 76 Cb 1.28 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1ts4 h SER 76 CO 0.43 0.59 0.00 -0.62 -0.87 0.00 0.00 176.83 176.36 1ts4 n GLU 77 N -4.40 1.10 -0.81 4.77 1.02 -1.26 -4.87 120.64 116.19 1ts4 n GLU 77 Ca 0.06 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1ts4 n GLU 77 Cb 0.08 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1ts4 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ts4 n GLY 78 N 0.74 0.56 3.83 0.62 0.00 -0.49 -5.04 105.19 105.41 1ts4 n GLY 78 Ca 0.10 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1ts4 n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ts4 s THR 79 N -2.00 4.76 0.02 2.61 -4.23 -1.26 -4.78 115.64 110.76 1ts4 s THR 79 Ca 0.00 1.00 -0.17 0.00 -1.18 0.00 0.00 61.69 61.34 1ts4 s THR 79 Cb 0.00 -3.79 -0.06 0.00 1.34 0.00 0.00 72.50 69.99 1ts4 s THR 79 CO 0.00 0.27 0.48 -0.47 -0.54 0.00 0.00 174.62 174.36 1ts4 s TYR 80 N -1.43 3.74 0.04 3.99 5.04 -1.26 -0.17 117.35 127.29 1ts4 s TYR 80 Ca 0.38 1.09 0.06 0.00 -2.44 0.00 0.00 57.07 56.16 1ts4 s TYR 80 Cb -0.16 -2.40 -0.02 0.00 0.35 0.00 0.00 41.96 39.73 1ts4 s TYR 80 CO 0.20 0.57 -0.18 0.42 -1.34 0.00 0.00 175.55 175.22 1ts4 s ILE 81 N -0.91 1.45 0.01 3.14 1.01 0.27 -1.04 121.20 125.13 1ts4 s ILE 81 Ca 0.26 -1.09 0.08 0.00 0.00 0.00 0.00 60.65 59.90 1ts4 s ILE 81 Cb -0.18 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 1ts4 s ILE 81 CO 0.15 0.15 -0.25 -1.00 0.00 0.00 0.00 174.94 173.99 1ts4 s HIS 82 N -0.78 2.25 -0.30 3.97 3.76 0.49 -1.49 115.29 123.19 1ts4 s HIS 82 Ca 0.05 -0.42 -0.03 0.00 -0.15 0.00 0.00 55.06 54.51 1ts4 s HIS 82 Cb -0.08 -1.41 0.04 0.00 1.11 0.00 0.00 32.58 32.24 1ts4 s HIS 82 CO 0.01 0.02 0.02 -0.06 -0.85 0.00 0.00 174.74 173.89 1ts4 s PHE 83 N -0.67 3.22 0.39 1.40 0.08 -1.26 -0.02 117.98 121.11 1ts4 s PHE 83 Ca 0.10 -1.65 0.04 0.00 0.12 0.00 0.00 56.93 55.54 1ts4 s PHE 83 Cb -0.10 -2.15 -0.04 0.00 -0.57 0.00 0.00 43.02 40.17 1ts4 s PHE 83 CO 0.00 -0.76 0.10 -0.65 -0.10 0.00 0.00 175.22 173.81 1ts4 s GLN 84 N 1.32 1.85 -0.07 0.44 -0.21 -0.25 -0.19 119.66 122.55 1ts4 s GLN 84 Ca -0.03 -2.10 -0.02 0.00 0.02 0.00 0.00 55.36 53.23 1ts4 s GLN 84 Cb -0.19 -0.75 0.03 0.00 1.00 0.00 0.00 33.01 33.11 1ts4 s GLN 84 CO -0.00 -0.38 0.03 -1.50 -2.12 0.00 0.00 175.29 171.32 1ts4 s ILE 85 N -3.23 0.14 0.13 1.08 2.07 -0.71 -1.72 121.20 118.96 1ts4 s ILE 85 Ca 0.27 0.21 0.00 0.00 -1.41 0.00 0.00 60.65 59.72 1ts4 s ILE 85 Cb 0.04 -0.39 0.00 0.00 0.13 0.00 0.00 42.46 42.25 1ts4 s ILE 85 CO 0.14 0.17 0.00 -0.24 -1.91 0.00 0.00 174.94 173.10 1ts4 n SER 86 N 5.22 -5.96 0.00 4.50 2.88 -0.57 -4.21 113.62 115.49 1ts4 n SER 86 Ca -0.05 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 1ts4 n SER 86 Cb 0.50 -1.72 0.00 0.00 -0.75 0.00 0.00 64.21 62.24 1ts4 n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ts4 n GLY 87 N -1.75 0.71 3.41 0.46 0.00 -1.26 -4.52 105.19 102.23 1ts4 n GLY 87 Ca 0.00 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 1ts4 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ts4 s VAL 88 N -2.00 4.30 0.31 1.61 1.01 -1.26 -1.44 120.40 122.93 1ts4 s VAL 88 Ca 0.00 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.59 1ts4 s VAL 88 Cb 0.00 -3.15 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 1ts4 s VAL 88 CO 0.00 0.15 -0.01 0.42 0.00 0.00 0.00 175.10 175.66 1ts4 s THR 89 N 1.57 1.56 1.24 3.92 -4.23 -0.90 -4.95 115.64 113.86 1ts4 s THR 89 Ca 0.04 -2.07 -0.19 0.00 -1.18 0.00 0.00 61.69 58.29 1ts4 s THR 89 Cb -0.17 -2.65 0.30 0.00 1.34 0.00 0.00 72.50 71.33 1ts4 s THR 89 CO 0.04 -0.16 1.07 0.54 -0.54 0.00 0.00 174.62 175.57 1ts4 s ASN 90 N -3.50 0.56 0.00 3.99 2.20 -1.26 -0.32 114.94 116.61 1ts4 s ASN 90 Ca 0.33 0.74 0.27 0.00 -0.94 0.00 0.00 52.86 53.26 1ts4 s ASN 90 Cb 0.06 -1.06 0.80 0.00 -2.00 0.00 0.00 41.25 39.06 1ts4 s ASN 90 CO 0.14 -4.36 1.60 0.35 -2.94 0.00 0.00 177.10 171.89 1ts4 n THR 91 N -4.93 0.00 -1.87 0.54 -2.24 -1.26 -4.10 114.28 100.42 1ts4 n THR 91 Ca 0.12 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1ts4 n THR 91 Cb 0.59 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 1ts4 n THR 91 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ts4 s GLU 92 N -2.26 4.18 0.34 -0.78 2.02 -1.26 -4.97 118.70 115.97 1ts4 s GLU 92 Ca 0.30 2.42 0.07 0.00 0.02 0.00 0.00 54.97 57.78 1ts4 s GLU 92 Cb 0.20 -3.41 -0.01 0.00 0.10 0.00 0.00 34.13 31.01 1ts4 s GLU 92 CO 0.43 -0.72 0.46 0.15 0.02 0.00 0.00 175.26 175.60 1ts4 s LYS 93 N 2.06 3.08 -0.11 1.61 -0.14 -1.26 -0.79 119.74 124.20 1ts4 s LYS 93 Ca 0.74 -1.04 -0.06 0.00 -1.36 0.00 0.00 55.97 54.25 1ts4 s LYS 93 Cb -0.43 -2.79 -0.04 0.00 -1.68 0.00 0.00 37.83 32.88 1ts4 s LYS 93 CO 0.33 0.05 0.14 -0.51 -0.76 0.00 0.00 175.35 174.60 1ts4 s LEU 94 N -4.17 4.35 0.37 3.17 1.43 0.17 -4.58 118.68 119.42 1ts4 s LEU 94 Ca 0.45 0.44 0.17 0.00 -1.03 0.00 0.00 54.13 54.16 1ts4 s LEU 94 Cb -0.09 -2.12 1.12 0.00 0.03 0.00 0.00 46.19 45.13 1ts4 s LEU 94 CO 0.31 0.39 1.69 -0.65 0.23 0.00 0.00 176.35 178.32 1ts4 h PRO 95 N 4.86 0.33 -3.08 1.29 0.11 -2.00 -3.39 132.00 130.12 1ts4 h PRO 95 Ca -0.54 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.37 1ts4 h PRO 95 Cb 1.22 -0.07 -0.28 0.00 0.11 0.00 0.00 31.00 31.98 1ts4 h PRO 95 CO 0.59 0.22 -0.47 0.95 -0.21 0.00 0.00 178.00 179.08 1ts4 s THR 96 N -5.58 -0.02 0.25 -1.15 -4.23 -1.26 -5.13 115.64 98.52 1ts4 s THR 96 Ca -0.09 0.08 -0.31 0.00 -1.18 0.00 0.00 61.69 60.19 1ts4 s THR 96 Cb 0.29 -0.36 -0.12 0.00 1.34 0.00 0.00 72.50 73.64 1ts4 s THR 96 CO 0.80 0.03 1.62 -2.65 -0.54 0.00 0.00 174.62 173.88 1ts4 n PRO 97 N 3.67 2.62 -4.38 3.99 -0.02 -1.26 -4.94 135.00 134.67 1ts4 n PRO 97 Ca -0.20 0.94 -0.29 0.00 -2.02 0.00 0.00 63.50 61.93 1ts4 n PRO 97 Cb 0.55 -2.73 -0.13 0.00 -0.02 0.00 0.00 33.50 31.18 1ts4 n PRO 97 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1ts4 s ILE 98 N 0.46 2.22 0.13 4.25 -4.36 -0.78 -4.87 121.20 118.25 1ts4 s ILE 98 Ca 0.69 -1.75 -0.21 0.00 -0.26 0.00 0.00 60.65 59.13 1ts4 s ILE 98 Cb -0.53 -1.97 -0.07 0.00 1.25 0.00 0.00 42.46 41.14 1ts4 s ILE 98 CO 0.42 0.07 0.65 -0.70 0.24 0.00 0.00 174.94 175.63 1ts4 s GLU 99 N -2.06 4.29 -0.13 0.37 2.12 -1.26 -1.57 118.70 120.45 1ts4 s GLU 99 Ca 0.14 0.85 -0.18 0.00 0.36 0.00 0.00 54.97 56.14 1ts4 s GLU 99 Cb -0.10 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1ts4 s GLU 99 CO 0.06 0.57 0.48 -0.51 -0.54 0.00 0.00 175.26 175.31 1ts4 s LEU 100 N -1.34 4.25 -0.54 2.70 1.43 -1.26 -4.99 118.68 118.92 1ts4 s LEU 100 Ca 0.34 0.78 -0.26 0.00 -1.03 0.00 0.00 54.13 53.96 1ts4 s LEU 100 Cb -0.20 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 1ts4 s LEU 100 CO 0.21 -0.03 2.11 -2.84 0.23 0.00 0.00 176.35 176.03 1ts4 s PRO 101 N 0.80 2.42 -0.13 1.29 0.02 -1.26 -4.97 135.00 133.16 1ts4 s PRO 101 Ca 0.25 1.01 -0.01 0.00 0.02 0.00 0.00 61.00 62.27 1ts4 s PRO 101 Cb -0.15 -4.47 -0.02 0.00 0.02 0.00 0.00 34.50 29.88 1ts4 s PRO 101 CO 0.10 -2.94 -0.10 -1.17 -0.33 0.00 0.00 177.00 172.56 1ts4 s LEU 102 N 10.40 2.92 -0.08 -5.54 2.96 -1.26 -0.95 118.68 127.13 1ts4 s LEU 102 Ca 0.82 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 54.51 1ts4 s LEU 102 Cb -0.15 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.88 1ts4 s LEU 102 CO 0.24 0.18 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.74 1ts4 s LYS 103 N 0.29 2.14 -0.01 1.98 1.02 -0.47 -4.91 119.74 119.78 1ts4 s LYS 103 Ca -0.07 -0.56 0.07 0.00 0.02 0.00 0.00 55.97 55.42 1ts4 s LYS 103 Cb -0.15 -1.70 -0.02 0.00 -0.52 0.00 0.00 37.83 35.44 1ts4 s LYS 103 CO 0.05 0.07 -0.22 0.08 -0.92 0.00 0.00 175.35 174.40 1ts4 s VAL 104 N 0.57 1.76 -0.32 3.17 1.01 -1.26 -0.95 120.40 124.39 1ts4 s VAL 104 Ca -0.16 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 60.86 1ts4 s VAL 104 Cb -0.16 -1.46 0.10 0.00 0.00 0.00 0.00 36.38 34.85 1ts4 s VAL 104 CO 0.05 0.49 0.10 -0.54 0.00 0.00 0.00 175.10 175.20 1ts4 s LYS 105 N -0.55 0.79 -0.61 2.72 1.02 -0.84 -0.70 119.74 121.57 1ts4 s LYS 105 Ca 0.09 -1.17 -0.28 0.00 0.02 0.00 0.00 55.97 54.63 1ts4 s LYS 105 Cb -0.09 -2.10 0.03 0.00 -0.52 0.00 0.00 37.83 35.16 1ts4 s LYS 105 CO -0.01 -0.99 1.19 0.08 -0.92 0.00 0.00 175.35 174.70 1ts4 s VAL 106 N 1.52 4.00 -1.34 3.17 1.01 -0.06 -2.49 120.40 126.21 1ts4 s VAL 106 Ca 0.10 0.76 -0.08 0.00 0.00 0.00 0.00 61.98 62.76 1ts4 s VAL 106 Cb -0.18 -4.75 0.01 0.00 0.00 0.00 0.00 36.38 31.47 1ts4 s VAL 106 CO -0.23 -1.42 1.15 1.41 0.00 0.00 0.00 175.10 176.01 1ts4 n HIS 107 N 8.52 -2.76 0.00 5.22 8.25 -0.91 -2.74 115.22 130.80 1ts4 n HIS 107 Ca 0.07 1.00 0.00 0.00 -0.26 0.00 0.00 57.72 58.53 1ts4 n HIS 107 Cb 0.49 -5.00 0.00 0.00 1.12 0.00 0.00 29.99 26.60 1ts4 n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ts4 n GLY 108 N -1.87 2.51 3.69 -1.41 0.00 -1.25 -5.00 105.19 101.86 1ts4 n GLY 108 Ca -0.03 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1ts4 n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ts4 s LYS 109 N 0.00 4.27 0.83 1.61 1.02 -1.11 -4.88 119.74 121.48 1ts4 s LYS 109 Ca 0.00 2.08 -0.11 0.00 0.02 0.00 0.00 55.97 57.95 1ts4 s LYS 109 Cb 0.00 -3.51 0.09 0.00 -0.52 0.00 0.00 37.83 33.90 1ts4 s LYS 109 CO 0.00 -0.58 1.15 -0.51 -0.92 0.00 0.00 175.35 174.48 1ts4 s ASP 110 N 1.83 3.68 -0.09 2.83 1.11 -1.26 -0.88 116.67 123.88 1ts4 s ASP 110 Ca 0.66 2.13 -0.04 0.00 0.18 0.00 0.00 52.55 55.49 1ts4 s ASP 110 Cb -0.35 -2.56 0.05 0.00 1.07 0.00 0.00 42.92 41.13 1ts4 s ASP 110 CO 0.29 -2.60 0.19 -0.55 1.18 0.00 0.00 175.17 173.67 1ts4 s SER 111 N -2.70 0.50 0.61 0.27 0.15 0.12 -4.75 113.70 107.90 1ts4 s SER 111 Ca 0.67 0.40 -0.19 0.00 0.70 0.00 0.00 55.95 57.53 1ts4 s SER 111 Cb -0.23 0.37 -0.02 0.00 -1.71 0.00 0.00 66.02 64.42 1ts4 s SER 111 CO 0.54 -0.23 1.30 -2.65 1.20 0.00 0.00 173.24 173.41 1ts4 n PRO 112 N 5.13 1.30 -1.44 5.44 -0.02 -1.26 -4.21 135.00 139.94 1ts4 n PRO 112 Ca -0.09 0.50 -0.29 0.00 -2.02 0.00 0.00 63.50 61.60 1ts4 n PRO 112 Cb 0.50 -2.53 0.17 0.00 -0.02 0.00 0.00 33.50 31.62 1ts4 n PRO 112 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ts4 s LEU 113 N -3.95 1.74 0.00 2.45 1.43 -1.26 -5.05 118.68 114.04 1ts4 s LEU 113 Ca 0.79 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 1ts4 s LEU 113 Cb -0.39 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 42.92 1ts4 s LEU 113 CO 0.43 -3.05 0.00 0.29 0.23 0.00 0.00 176.35 174.26 1ts4 n LYS 114 N -4.07 0.00 -0.22 1.70 5.02 -1.26 -4.96 118.16 114.38 1ts4 n LYS 114 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1ts4 n LYS 114 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 1ts4 n LYS 114 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ts4 n TYR 115 N -0.85 0.00 -3.39 2.13 4.02 -1.26 -4.76 117.16 113.05 1ts4 n TYR 115 Ca 0.00 -0.49 -0.45 0.00 -0.01 0.00 0.00 57.90 56.95 1ts4 n TYR 115 Cb 0.00 -0.34 -0.05 0.00 -0.02 0.00 0.00 39.34 38.92 1ts4 n TYR 115 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 1ts4 s TRP 116 N 0.80 3.45 0.39 -0.72 -0.11 -1.26 -4.94 118.94 116.54 1ts4 s TRP 116 Ca 0.00 -1.71 -0.05 0.00 1.22 0.00 0.00 56.10 55.56 1ts4 s TRP 116 Cb 0.00 -3.70 0.09 0.00 -1.50 0.00 0.00 33.47 28.35 1ts4 s TRP 116 CO 0.00 -0.99 0.53 -0.35 -4.62 0.00 0.00 176.95 171.51 1ts4 n PRO 117 N 4.69 -0.29 -3.90 5.86 -0.04 -1.26 -5.04 135.00 135.02 1ts4 n PRO 117 Ca -0.03 -0.96 -0.22 0.00 -0.04 0.00 0.00 63.50 62.25 1ts4 n PRO 117 Cb 0.42 -0.49 -0.05 0.00 -0.04 0.00 0.00 33.50 33.34 1ts4 n PRO 117 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ts4 s LYS 118 N -4.03 2.59 0.24 0.54 1.02 -1.26 -4.57 119.74 114.27 1ts4 s LYS 118 Ca 0.31 -1.40 0.12 0.00 0.02 0.00 0.00 55.97 55.01 1ts4 s LYS 118 Cb -0.01 -2.36 -0.05 0.00 -0.52 0.00 0.00 37.83 34.89 1ts4 s LYS 118 CO 0.21 0.08 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.45 1ts4 s PHE 119 N -2.36 2.28 -0.08 3.18 0.08 -0.61 -4.92 117.98 115.55 1ts4 s PHE 119 Ca 0.40 -0.35 0.02 0.00 0.12 0.00 0.00 56.93 57.12 1ts4 s PHE 119 Cb -0.04 -1.05 -0.02 0.00 -0.57 0.00 0.00 43.02 41.34 1ts4 s PHE 119 CO 0.25 0.61 0.08 -3.47 -0.10 0.00 0.00 175.22 172.59 1ts4 n ASP 120 N -0.23 0.55 -4.78 1.36 2.03 -1.26 -1.87 116.55 112.35 1ts4 n ASP 120 Ca -0.08 -0.49 -0.39 0.00 0.52 0.00 0.00 54.79 54.34 1ts4 n ASP 120 Cb 0.58 1.01 -0.06 0.00 -0.72 0.00 0.00 41.12 41.93 1ts4 n ASP 120 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1ts4 s LYS 121 N -1.28 4.52 0.03 -0.67 -0.14 -1.26 0.43 119.74 121.37 1ts4 s LYS 121 Ca 0.01 1.10 -0.25 0.00 -1.36 0.00 0.00 55.97 55.46 1ts4 s LYS 121 Cb 0.01 -3.27 -0.17 0.00 -1.68 0.00 0.00 37.83 32.72 1ts4 s LYS 121 CO 0.08 0.55 1.43 -0.22 -0.76 0.00 0.00 175.35 176.43 1ts4 h LYS 122 N 4.50 -0.21 -6.65 1.68 3.64 -1.21 -3.42 116.57 114.91 1ts4 h LYS 122 Ca -0.47 0.01 -0.68 0.00 -1.27 0.00 0.00 60.65 58.25 1ts4 h LYS 122 Cb 1.21 0.05 -0.18 0.00 -0.41 0.00 0.00 32.23 32.89 1ts4 h LYS 122 CO 0.66 0.06 -0.78 1.14 -2.27 0.00 0.00 179.45 178.26 1ts4 s GLN 123 N -5.14 1.93 -0.00 1.90 -2.07 -1.26 -0.45 119.66 114.57 1ts4 s GLN 123 Ca -0.15 -1.10 0.00 0.00 -1.82 0.00 0.00 55.36 52.30 1ts4 s GLN 123 Cb 0.03 -2.18 0.00 0.00 -1.09 0.00 0.00 33.01 29.77 1ts4 s GLN 123 CO 0.62 0.50 -0.00 -0.51 -1.32 0.00 0.00 175.29 174.58 1ts4 s LEU 124 N -2.04 1.96 0.36 2.60 1.43 0.19 -4.84 118.68 118.34 1ts4 s LEU 124 Ca 0.18 -0.00 -0.26 0.00 -1.03 0.00 0.00 54.13 53.02 1ts4 s LEU 124 Cb -0.11 -0.01 -0.09 0.00 0.03 0.00 0.00 46.19 46.01 1ts4 s LEU 124 CO 0.10 -0.00 1.14 0.00 0.23 0.00 0.00 176.35 177.82 1ts4 s ALA 125 N 0.05 3.24 0.36 4.21 0.00 -1.26 -1.63 121.76 126.73 1ts4 s ALA 125 Ca -0.00 0.92 0.06 0.00 0.00 0.00 0.00 51.96 52.94 1ts4 s ALA 125 Cb -0.01 -3.35 0.75 0.00 0.00 0.00 0.00 23.12 20.51 1ts4 s ALA 125 CO -0.00 -0.37 1.94 0.82 0.00 0.00 0.00 175.76 178.15 1ts4 h ILE 126 N 2.58 0.99 -0.78 0.00 2.04 -1.81 0.52 117.51 121.06 1ts4 h ILE 126 Ca -0.48 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.16 1ts4 h ILE 126 Cb 1.22 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 1ts4 h ILE 126 CO 0.64 0.14 0.49 0.77 0.00 0.00 0.00 178.15 180.19 1ts4 h SER 127 N 0.75 0.81 0.16 1.72 4.64 -1.92 0.13 113.55 119.84 1ts4 h SER 127 Ca 0.34 -0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.67 1ts4 h SER 127 Cb 0.34 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 1ts4 h SER 127 CO -0.12 0.56 -0.24 0.74 -0.87 0.00 0.00 176.83 176.90 1ts4 h THR 128 N 0.96 0.48 -0.43 2.95 2.02 -1.17 -0.53 112.91 117.19 1ts4 h THR 128 Ca 0.31 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.55 1ts4 h THR 128 Cb 0.02 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 1ts4 h THR 128 CO -0.11 0.00 0.15 -0.07 0.37 0.00 0.00 175.52 175.86 1ts4 h LEU 129 N -0.46 0.16 -0.34 2.58 3.38 -0.93 -0.71 115.31 119.00 1ts4 h LEU 129 Ca 0.02 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.11 1ts4 h LEU 129 Cb 0.47 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1ts4 h LEU 129 CO -0.11 0.12 -0.15 -0.78 0.09 0.00 0.00 178.44 177.61 1ts4 h ASP 130 N 0.32 -0.52 0.70 -0.43 3.58 0.16 0.12 116.42 120.36 1ts4 h ASP 130 Ca 0.20 0.13 -0.11 0.00 0.42 0.00 0.00 57.03 57.66 1ts4 h ASP 130 Cb 0.19 0.29 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 1ts4 h ASP 130 CO -0.21 -0.19 -0.55 2.19 -2.88 0.00 0.00 179.24 177.61 1ts4 h PHE 131 N -0.09 0.00 0.23 0.28 -5.15 -0.63 0.24 116.94 111.81 1ts4 h PHE 131 Ca 0.17 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.93 1ts4 h PHE 131 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.53 1ts4 h PHE 131 CO -0.37 0.55 -0.11 0.93 -2.00 0.00 0.00 178.31 177.31 1ts4 h GLU 132 N 0.00 -0.30 0.20 6.09 4.39 -0.12 0.31 114.58 125.15 1ts4 h GLU 132 Ca -0.01 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.73 1ts4 h GLU 132 Cb 1.04 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.72 1ts4 h GLU 132 CO 0.07 -0.07 -0.39 0.82 -1.16 0.00 0.00 179.01 178.28 1ts4 h ILE 133 N -0.49 0.21 -0.59 3.13 2.04 -0.63 -1.62 117.51 119.57 1ts4 h ILE 133 Ca -0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1ts4 h ILE 133 Cb 0.36 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1ts4 h ILE 133 CO 0.05 0.00 0.35 0.03 0.00 0.00 0.00 178.15 178.59 1ts4 h ARG 134 N -0.67 0.79 -0.12 2.37 3.08 -0.44 -1.57 114.38 117.82 1ts4 h ARG 134 Ca 0.01 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1ts4 h ARG 134 Cb 0.67 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1ts4 h ARG 134 CO -0.18 0.56 0.07 1.25 -1.07 0.00 0.00 179.97 180.60 1ts4 h HIS 135 N 0.81 0.16 -0.49 3.04 2.76 0.36 -0.25 115.15 121.54 1ts4 h HIS 135 Ca 0.21 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.34 1ts4 h HIS 135 Cb -0.03 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 1ts4 h HIS 135 CO 0.00 0.14 0.14 0.37 -1.30 0.00 0.00 177.93 177.27 1ts4 h GLN 136 N 0.14 0.77 -0.48 5.26 4.15 -0.85 -0.77 115.11 123.33 1ts4 h GLN 136 Ca 0.04 -0.18 0.10 0.00 0.77 0.00 0.00 58.65 59.38 1ts4 h GLN 136 Cb 0.02 -0.11 -0.09 0.00 0.21 0.00 0.00 27.48 27.52 1ts4 h GLN 136 CO -0.01 0.74 -0.11 -0.07 -1.93 0.00 0.00 178.83 177.45 1ts4 h LEU 137 N 0.66 -0.42 0.59 -2.39 3.38 -0.93 0.39 115.31 116.60 1ts4 h LEU 137 Ca 0.16 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 1ts4 h LEU 137 Cb 0.30 0.29 0.01 0.00 0.09 0.00 0.00 40.66 41.34 1ts4 h LEU 137 CO -0.00 -0.15 -0.28 0.71 0.09 0.00 0.00 178.44 178.81 1ts4 h THR 138 N 0.01 0.00 -0.40 0.22 1.35 -0.87 -1.16 112.91 112.06 1ts4 h THR 138 Ca 0.23 -0.35 0.06 0.00 -0.55 0.00 0.00 66.41 65.79 1ts4 h THR 138 Cb 0.35 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 66.72 1ts4 h THR 138 CO -0.48 0.00 0.10 0.50 -0.25 0.00 0.00 175.52 175.39 1ts4 h LYS 139 N -1.15 0.23 0.06 4.72 3.64 -1.02 -2.63 116.57 120.42 1ts4 h LYS 139 Ca -0.08 -0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.02 1ts4 h LYS 139 Cb 0.61 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1ts4 h LYS 139 CO 0.13 0.15 -1.42 0.82 -2.27 0.00 0.00 179.45 176.86 1ts4 h ILE 140 N 0.23 0.91 0.00 2.00 1.08 -0.34 -3.42 117.51 117.98 1ts4 h ILE 140 Ca 0.19 -2.28 -0.22 0.00 -0.39 0.00 0.00 64.86 62.16 1ts4 h ILE 140 Cb 0.21 2.47 -0.04 0.00 -3.07 0.00 0.00 36.82 36.39 1ts4 h ILE 140 CO -0.23 0.57 -1.71 1.41 -0.69 0.00 0.00 178.15 177.49 1ts4 n HIS 141 N -4.08 0.71 0.00 1.37 8.25 -0.51 -5.00 115.22 115.96 1ts4 n HIS 141 Ca -0.29 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1ts4 n HIS 141 Cb 0.82 -1.04 0.00 0.00 1.12 0.00 0.00 29.99 30.89 1ts4 n HIS 141 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ts4 n GLY 142 N 1.48 1.59 3.72 -1.41 0.00 -0.77 -5.02 105.19 104.78 1ts4 n GLY 142 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1ts4 n GLY 142 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ts4 s LEU 143 N 0.00 4.37 0.00 0.99 2.96 -0.99 -1.61 118.68 124.39 1ts4 s LEU 143 Ca 0.00 2.71 0.00 0.00 -0.22 0.00 0.00 54.13 56.62 1ts4 s LEU 143 Cb 0.00 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.09 1ts4 s LEU 143 CO 0.00 -0.88 0.00 -1.22 -1.32 0.00 0.00 176.35 172.93 1ts4 n TYR 144 N 3.92 0.00 1.00 5.38 4.01 0.64 -4.46 117.16 127.65 1ts4 n TYR 144 Ca 0.14 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.00 1ts4 n TYR 144 Cb 0.37 -0.73 0.25 0.00 -0.31 0.00 0.00 39.34 38.92 1ts4 n TYR 144 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1ts4 n ARG 145 N -2.00 0.00 -3.78 -0.72 1.74 -0.64 -4.84 116.66 106.42 1ts4 n ARG 145 Ca 0.00 -0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1ts4 n ARG 145 Cb 0.00 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 29.85 1ts4 n ARG 145 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ts4 s SER 146 N -3.00 -0.14 0.30 0.55 1.04 -1.25 -4.99 113.70 106.21 1ts4 s SER 146 Ca 0.11 -0.00 0.05 0.00 0.48 0.00 0.00 55.95 56.58 1ts4 s SER 146 Cb 0.17 0.30 0.76 0.00 0.10 0.00 0.00 66.02 67.35 1ts4 s SER 146 CO 0.70 -0.45 1.70 0.77 0.98 0.00 0.00 173.24 176.93 1ts4 h SER 147 N 3.85 0.37 -0.19 7.02 4.64 -1.91 -0.34 113.55 126.99 1ts4 h SER 147 Ca -0.30 0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.09 1ts4 h SER 147 Cb 1.18 0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 63.35 1ts4 h SER 147 CO 0.41 0.00 0.11 -0.90 -0.87 0.00 0.00 176.83 175.57 1ts4 n ASP 148 N -5.03 2.88 -2.87 4.97 5.75 -1.26 -4.03 116.55 116.97 1ts4 n ASP 148 Ca 0.23 -2.30 -0.12 0.00 -0.01 0.00 0.00 54.79 52.59 1ts4 n ASP 148 Cb 0.68 -0.56 0.04 0.00 -1.03 0.00 0.00 41.12 40.24 1ts4 n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1ts4 n LYS 149 N 0.15 0.89 -0.25 0.11 5.02 -0.14 -4.73 118.16 119.20 1ts4 n LYS 149 Ca 0.11 -2.25 0.07 0.00 -2.02 0.00 0.00 58.31 54.22 1ts4 n LYS 149 Cb 0.68 -1.31 0.10 0.00 -0.02 0.00 0.00 35.03 34.49 1ts4 n LYS 149 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ts4 n THR 150 N 0.93 1.36 -3.64 -0.18 -2.24 -0.31 -0.26 114.28 109.94 1ts4 n THR 150 Ca 0.12 -1.70 -0.02 0.00 -2.27 0.00 0.00 64.05 60.17 1ts4 n THR 150 Cb 0.65 -0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.85 1ts4 n THR 150 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ts4 s GLY 151 N -2.39 -0.35 0.00 3.38 0.00 0.14 -4.50 107.32 103.62 1ts4 s GLY 151 Ca 0.24 0.73 0.00 0.00 0.00 0.00 0.00 44.72 45.69 1ts4 s GLY 151 CO 0.01 0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.91 1ts4 n GLY 152 N -0.38 0.10 3.44 0.20 0.00 -1.19 0.34 105.19 107.70 1ts4 n GLY 152 Ca -0.06 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 1ts4 n GLY 152 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ts4 s TYR 153 N -4.00 -0.51 -0.05 1.61 1.13 -1.03 -0.19 117.35 114.32 1ts4 s TYR 153 Ca 0.00 0.31 0.06 0.00 -1.41 0.00 0.00 57.07 56.02 1ts4 s TYR 153 Cb 0.00 0.56 -0.01 0.00 -1.10 0.00 0.00 41.96 41.41 1ts4 s TYR 153 CO 0.00 -0.80 -0.23 1.67 -2.51 0.00 0.00 175.55 173.68 1ts4 s TRP 154 N -3.65 2.24 -0.06 -3.49 1.48 -1.12 -1.39 118.94 112.95 1ts4 s TRP 154 Ca 0.02 -0.65 0.03 0.00 -1.06 0.00 0.00 56.10 54.44 1ts4 s TRP 154 Cb -0.01 -1.47 0.00 0.00 -1.16 0.00 0.00 33.47 30.83 1ts4 s TRP 154 CO -0.12 -0.19 -0.16 0.21 -4.06 0.00 0.00 176.95 172.62 1ts4 s LYS 155 N -0.14 1.93 -0.34 3.25 2.20 0.19 -2.45 119.74 124.37 1ts4 s LYS 155 Ca -0.03 -0.56 -0.02 0.00 -0.36 0.00 0.00 55.97 55.01 1ts4 s LYS 155 Cb -0.13 -1.59 0.07 0.00 -1.51 0.00 0.00 37.83 34.68 1ts4 s LYS 155 CO 0.03 0.13 0.07 0.42 -0.36 0.00 0.00 175.35 175.65 1ts4 s ILE 156 N 0.37 3.02 -0.37 5.43 1.01 0.18 -0.02 121.20 130.82 1ts4 s ILE 156 Ca -0.11 -1.70 -0.20 0.00 0.00 0.00 0.00 60.65 58.64 1ts4 s ILE 156 Cb -0.14 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.44 1ts4 s ILE 156 CO 0.04 -0.35 0.63 -0.89 0.00 0.00 0.00 174.94 174.37 1ts4 s THR 157 N 1.18 4.89 0.83 2.92 2.01 -0.01 -1.33 115.64 126.13 1ts4 s THR 157 Ca 0.01 0.51 -0.12 0.00 0.31 0.00 0.00 61.69 62.40 1ts4 s THR 157 Cb -0.21 -4.08 0.09 0.00 0.01 0.00 0.00 72.50 68.31 1ts4 s THR 157 CO -0.03 -0.34 1.14 -0.04 -0.69 0.00 0.00 174.62 174.66 1ts4 s MET 158 N 2.70 1.82 0.31 4.92 1.00 -0.39 -0.35 119.30 129.31 1ts4 s MET 158 Ca 0.24 0.33 0.12 0.00 0.00 0.00 0.00 55.69 56.38 1ts4 s MET 158 Cb -0.14 -1.91 0.48 0.00 0.00 0.00 0.00 34.83 33.25 1ts4 s MET 158 CO 0.15 -1.74 1.68 -0.91 0.00 0.00 0.00 175.02 174.21 1ts4 h ASN 159 N -1.16 0.00 -1.66 3.03 4.21 -1.29 -3.24 115.58 115.47 1ts4 h ASN 159 Ca -0.48 0.00 -0.73 0.00 1.21 0.00 0.00 56.30 56.30 1ts4 h ASN 159 Cb 1.31 0.00 -0.29 0.00 -1.12 0.00 0.00 38.32 38.22 1ts4 h ASN 159 CO 0.63 0.53 0.89 -0.90 -1.29 0.00 0.00 177.43 177.29 1ts4 n ASP 160 N -3.88 7.40 0.00 5.81 5.75 -1.26 -4.93 116.55 125.44 1ts4 n ASP 160 Ca -0.01 -3.82 0.00 0.00 -0.01 0.00 0.00 54.79 50.95 1ts4 n ASP 160 Cb 0.55 -1.00 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 1ts4 n ASP 160 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ts4 n GLY 161 N -0.65 0.63 3.42 6.12 0.00 -1.22 -4.94 105.19 108.54 1ts4 n GLY 161 Ca 0.56 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.18 1ts4 n GLY 161 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ts4 n SER 162 N 1.25 -1.52 -4.17 1.61 3.41 -1.26 -4.59 113.62 108.35 1ts4 n SER 162 Ca 0.00 0.79 -0.14 0.00 -0.26 0.00 0.00 58.87 59.26 1ts4 n SER 162 Cb 0.00 -1.08 -0.11 0.00 -0.26 0.00 0.00 64.21 62.76 1ts4 n SER 162 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ts4 s THR 163 N -1.67 0.93 0.01 6.66 -1.32 -1.26 -1.26 115.64 117.73 1ts4 s THR 163 Ca 0.64 -1.60 0.01 0.00 -1.21 0.00 0.00 61.69 59.53 1ts4 s THR 163 Cb -0.52 -1.32 -0.01 0.00 -1.51 0.00 0.00 72.50 69.14 1ts4 s THR 163 CO 0.58 -0.54 -0.05 -0.31 -2.21 0.00 0.00 174.62 172.09 1ts4 s TYR 164 N -2.35 0.45 0.12 9.09 1.51 -0.44 -4.98 117.35 120.74 1ts4 s TYR 164 Ca 0.04 -0.25 -0.25 0.00 -1.01 0.00 0.00 57.07 55.60 1ts4 s TYR 164 Cb -0.03 -0.28 0.07 0.00 -0.11 0.00 0.00 41.96 41.61 1ts4 s TYR 164 CO 0.00 -0.05 0.77 1.14 -1.11 0.00 0.00 175.55 176.31 1ts4 s GLN 165 N -0.70 1.17 0.02 -0.62 -2.07 -1.26 0.51 119.66 116.71 1ts4 s GLN 165 Ca -0.04 -0.51 -0.12 0.00 -1.82 0.00 0.00 55.36 52.87 1ts4 s GLN 165 Cb -0.05 0.49 0.01 0.00 -1.09 0.00 0.00 33.01 32.37 1ts4 s GLN 165 CO -0.00 -0.52 0.25 0.45 -1.32 0.00 0.00 175.29 174.14 1ts4 s SER 166 N -2.71 -0.07 -0.38 12.60 0.15 -1.03 -4.97 113.70 117.30 1ts4 s SER 166 Ca 0.06 -0.19 -0.23 0.00 0.70 0.00 0.00 55.95 56.28 1ts4 s SER 166 Cb -0.02 0.30 0.01 0.00 -1.71 0.00 0.00 66.02 64.61 1ts4 s SER 166 CO -0.06 -0.52 0.79 -0.62 1.20 0.00 0.00 173.24 174.02 1ts4 s ASP 167 N -1.81 6.54 -0.95 5.45 2.15 -1.26 -2.77 116.67 124.02 1ts4 s ASP 167 Ca -0.08 0.31 -0.20 0.00 0.43 0.00 0.00 52.55 53.00 1ts4 s ASP 167 Cb -0.03 -2.40 -0.11 0.00 -0.30 0.00 0.00 42.92 40.08 1ts4 s ASP 167 CO -0.01 -0.76 1.98 0.18 -0.17 0.00 0.00 175.17 176.39 1ts4 n LEU 168 N 6.48 4.56 0.00 -1.34 4.77 0.73 -1.82 117.00 130.38 1ts4 n LEU 168 Ca 0.03 -3.18 0.00 0.00 -0.03 0.00 0.00 56.01 52.83 1ts4 n LEU 168 Cb 0.48 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 1ts4 n LEU 168 CO 0.55 -0.19 0.00 -1.54 -1.33 0.00 0.00 177.39 174.88 1ts4 n SER 169 N 7.79 0.00 -4.47 -1.43 3.41 -1.26 -3.14 113.62 114.53 1ts4 n SER 169 Ca 0.50 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.82 1ts4 n SER 169 Cb 0.41 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.24 1ts4 n SER 169 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ts4 s LYS 170 N -0.03 1.69 0.32 4.33 1.02 -0.76 -4.97 119.74 121.34 1ts4 s LYS 170 Ca 0.00 -1.28 -0.28 0.00 0.02 0.00 0.00 55.97 54.42 1ts4 s LYS 170 Cb 0.00 -2.03 -0.10 0.00 -0.52 0.00 0.00 37.83 35.18 1ts4 s LYS 170 CO 0.00 0.45 1.19 0.21 -0.92 0.00 0.00 175.35 176.29 1ts4 s LYS 171 N -2.29 4.43 0.22 1.68 2.20 -1.26 -4.76 119.74 119.95 1ts4 s LYS 171 Ca 0.18 1.97 -0.30 0.00 -0.36 0.00 0.00 55.97 57.47 1ts4 s LYS 171 Cb -0.10 -3.05 -0.16 0.00 -1.51 0.00 0.00 37.83 33.02 1ts4 s LYS 171 CO 0.10 -0.04 0.88 0.34 -0.36 0.00 0.00 175.35 176.27 1ts4 n PHE 172 N 0.83 0.66 -2.64 4.03 7.35 -1.26 -4.82 117.46 121.61 1ts4 n PHE 172 Ca 0.00 0.81 -0.43 0.00 -0.76 0.00 0.00 57.45 57.07 1ts4 n PHE 172 Cb 0.44 -2.15 -0.00 0.00 0.35 0.00 0.00 39.48 38.12 1ts4 n PHE 172 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1ts4 s GLU 173 N -1.04 3.97 0.51 -4.13 2.02 -1.26 -4.79 118.70 113.99 1ts4 s GLU 173 Ca 0.65 -2.03 0.16 0.00 0.02 0.00 0.00 54.97 53.77 1ts4 s GLU 173 Cb -0.84 -5.44 1.25 0.00 0.10 0.00 0.00 34.13 29.20 1ts4 s GLU 173 CO 0.57 -2.17 2.14 1.88 0.02 0.00 0.00 175.26 177.70 1ts4 h TYR 174 N 7.67 0.00 0.00 1.61 -1.99 -1.99 -2.21 116.97 120.06 1ts4 h TYR 174 Ca 0.41 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.14 1ts4 h TYR 174 Cb 0.88 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.61 1ts4 h TYR 174 CO 1.36 0.01 0.00 -2.95 -0.00 0.00 0.00 178.16 176.59 1ts4 h ASN 175 N 0.00 0.00 -0.05 3.88 7.08 -1.89 -3.18 115.58 121.43 1ts4 h ASN 175 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1ts4 h ASN 175 Cb 0.03 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.27 1ts4 h ASN 175 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 177.43 175.70 1ts4 n THR 176 N -2.95 0.68 -1.64 6.14 -2.24 -0.87 -2.74 114.28 110.66 1ts4 n THR 176 Ca 0.02 -0.84 -0.44 0.00 -2.27 0.00 0.00 64.05 60.52 1ts4 n THR 176 Cb 0.35 0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 69.25 1ts4 n THR 176 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ts4 n GLU 177 N -0.15 1.72 -2.82 -0.78 2.13 -0.95 -4.90 120.64 114.90 1ts4 n GLU 177 Ca 0.02 0.61 -0.27 0.00 0.66 0.00 0.00 57.16 58.18 1ts4 n GLU 177 Cb 0.21 -2.09 -0.01 0.00 0.27 0.00 0.00 31.44 29.82 1ts4 n GLU 177 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1ts4 s LYS 178 N -1.52 3.55 1.10 5.31 -0.14 -1.26 -3.25 119.74 123.53 1ts4 s LYS 178 Ca 0.59 0.11 -0.20 0.00 -1.36 0.00 0.00 55.97 55.11 1ts4 s LYS 178 Cb -0.65 -2.44 0.08 0.00 -1.68 0.00 0.00 37.83 33.14 1ts4 s LYS 178 CO 0.60 -0.11 -0.15 -2.30 -0.76 0.00 0.00 175.35 172.62 1ts4 n PRO 179 N -2.05 -1.54 -1.85 -1.68 -0.02 -1.26 -4.59 135.00 122.02 1ts4 n PRO 179 Ca -0.00 -0.44 -0.32 0.00 -2.02 0.00 0.00 63.50 60.72 1ts4 n PRO 179 Cb 0.55 -1.60 0.03 0.00 -0.02 0.00 0.00 33.50 32.46 1ts4 n PRO 179 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1ts4 s PRO 180 N -3.29 3.06 0.23 0.52 0.02 -1.26 -4.53 135.00 129.76 1ts4 s PRO 180 Ca 0.52 1.20 0.12 0.00 0.02 0.00 0.00 61.00 62.86 1ts4 s PRO 180 Cb -0.08 -2.00 -0.05 0.00 0.02 0.00 0.00 34.50 32.39 1ts4 s PRO 180 CO 0.63 -1.02 -0.21 0.96 -0.33 0.00 0.00 177.00 177.03 1ts4 s ILE 181 N -2.56 2.45 -0.52 2.83 -4.36 -0.64 -4.88 121.20 113.51 1ts4 s ILE 181 Ca 0.63 -2.19 -0.25 0.00 -0.26 0.00 0.00 60.65 58.58 1ts4 s ILE 181 Cb -0.17 -2.23 0.04 0.00 1.25 0.00 0.00 42.46 41.35 1ts4 s ILE 181 CO 0.42 -0.25 0.95 0.20 0.24 0.00 0.00 174.94 176.50 1ts4 s ASN 182 N -3.07 6.39 0.64 4.36 0.01 -1.26 -0.63 114.94 121.38 1ts4 s ASN 182 Ca 0.25 -0.18 0.32 0.00 -0.71 0.00 0.00 52.86 52.54 1ts4 s ASN 182 Cb -0.07 -2.45 1.78 0.00 0.41 0.00 0.00 41.25 40.93 1ts4 s ASN 182 CO 0.12 -1.18 2.06 0.16 -1.51 0.00 0.00 177.10 176.75 1ts4 h ILE 183 N 6.05 0.17 0.00 0.60 3.07 -1.01 0.55 117.51 126.93 1ts4 h ILE 183 Ca -0.25 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.16 1ts4 h ILE 183 Cb 1.07 0.77 0.00 0.00 -0.27 0.00 0.00 36.82 38.40 1ts4 h ILE 183 CO 1.07 0.00 0.00 -2.24 -1.05 0.00 0.00 178.15 175.93 1ts4 h ASP 184 N 0.00 0.00 -0.10 2.16 3.04 -1.88 -2.53 116.42 117.11 1ts4 h ASP 184 Ca 0.05 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.84 1ts4 h ASP 184 Cb 0.55 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.84 1ts4 h ASP 184 CO -0.00 0.00 0.00 -0.62 -2.04 0.00 0.00 179.24 176.58 1ts4 n GLU 185 N -2.70 1.82 -2.41 4.15 1.02 0.18 -4.89 120.64 117.81 1ts4 n GLU 185 Ca 0.02 -1.21 -0.41 0.00 -0.02 0.00 0.00 57.16 55.54 1ts4 n GLU 185 Cb 0.32 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 1ts4 n GLU 185 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ts4 s ILE 186 N -1.89 3.74 -0.20 -3.67 1.01 -0.96 -0.89 121.20 118.34 1ts4 s ILE 186 Ca 0.35 1.41 -0.18 0.00 0.00 0.00 0.00 60.65 62.23 1ts4 s ILE 186 Cb 0.20 -3.90 -0.20 0.00 0.01 0.00 0.00 42.46 38.57 1ts4 s ILE 186 CO 0.30 0.20 0.18 1.17 0.00 0.00 0.00 174.94 176.79 1ts4 n LYS 187 N 2.85 0.60 -3.58 2.79 4.81 0.53 -4.70 118.16 121.46 1ts4 n LYS 187 Ca 0.05 0.50 -0.11 0.00 -0.87 0.00 0.00 58.31 57.88 1ts4 n LYS 187 Cb 0.45 -1.72 -0.03 0.00 0.02 0.00 0.00 35.03 33.76 1ts4 n LYS 187 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1ts4 s THR 188 N -2.41 0.02 -0.06 3.15 -4.23 -0.37 -4.85 115.64 106.90 1ts4 s THR 188 Ca -0.29 -0.39 0.01 0.00 -1.18 0.00 0.00 61.69 59.84 1ts4 s THR 188 Cb 0.07 -1.26 0.02 0.00 1.34 0.00 0.00 72.50 72.67 1ts4 s THR 188 CO 0.61 -0.09 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.92 1ts4 s ILE 189 N -3.81 0.66 0.09 2.99 1.01 -0.12 -0.83 121.20 121.20 1ts4 s ILE 189 Ca 0.04 -0.15 0.09 0.00 0.00 0.00 0.00 60.65 60.63 1ts4 s ILE 189 Cb -0.01 -0.70 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 1ts4 s ILE 189 CO -0.08 0.27 -0.23 -1.61 0.00 0.00 0.00 174.94 173.28 1ts4 s GLU 190 N 1.19 1.37 -0.03 2.79 2.02 0.96 -1.37 118.70 125.64 1ts4 s GLU 190 Ca -0.06 -1.16 -0.01 0.00 0.02 0.00 0.00 54.97 53.75 1ts4 s GLU 190 Cb -0.14 -1.65 0.02 0.00 0.10 0.00 0.00 34.13 32.46 1ts4 s GLU 190 CO -0.02 0.40 0.06 0.00 0.02 0.00 0.00 175.26 175.72 1ts4 s ALA 191 N -1.00 -0.08 0.01 5.21 0.00 -0.12 0.52 121.76 126.31 1ts4 s ALA 191 Ca 0.10 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.36 1ts4 s ALA 191 Cb -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1ts4 s ALA 191 CO 0.04 -0.07 -0.08 -2.00 0.00 0.00 0.00 175.76 173.64 1ts4 s GLU 192 N 0.55 0.65 0.03 0.00 2.12 -0.49 -1.98 118.70 119.58 1ts4 s GLU 192 Ca -0.04 -0.39 0.07 0.00 0.36 0.00 0.00 54.97 54.97 1ts4 s GLU 192 Cb -0.06 -0.60 -0.02 0.00 0.26 0.00 0.00 34.13 33.70 1ts4 s GLU 192 CO -0.02 0.16 -0.21 0.42 -0.54 0.00 0.00 175.26 175.07 1ts4 s ILE 193 N -0.40 1.71 0.00 -3.70 1.01 -1.04 -2.45 121.20 116.33 1ts4 s ILE 193 Ca 0.01 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.51 1ts4 s ILE 193 Cb -0.04 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 40.96 1ts4 s ILE 193 CO -0.00 0.27 0.00 0.59 0.00 0.00 0.00 174.94 175.80