#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3tss h ILE 6 N 0.00 0.27 -0.87 -1.44 1.08 -1.96 -1.17 117.51 113.41 3tss h ILE 6 Ca 0.00 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.61 3tss h ILE 6 Cb 0.00 0.27 -0.09 0.00 -3.07 0.00 0.00 36.82 33.93 3tss h ILE 6 CO 0.00 0.00 0.47 0.50 -0.69 0.00 0.00 178.15 178.43 3tss h LYS 7 N -0.36 0.66 -0.56 2.37 3.64 -1.98 0.54 116.57 120.88 3tss h LYS 7 Ca 0.11 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3tss h LYS 7 Cb 0.54 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3tss h LYS 7 CO -0.40 0.43 0.20 0.22 -2.27 0.00 0.00 179.45 177.64 3tss h ASP 8 N 0.68 0.80 -0.07 4.20 3.58 -1.76 0.28 116.42 124.13 3tss h ASP 8 Ca 0.47 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.71 3tss h ASP 8 Cb 0.64 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.48 3tss h ASP 8 CO -0.35 0.77 -0.06 -0.07 -2.88 0.00 0.00 179.24 176.65 3tss h LEU 9 N 0.78 0.17 -0.85 2.28 3.38 0.05 -1.00 115.31 120.12 3tss h LEU 9 Ca 0.19 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.71 3tss h LEU 9 Cb 0.24 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 3tss h LEU 9 CO -0.01 0.62 0.55 0.25 0.09 0.00 0.00 178.44 179.93 3tss h LEU 10 N -0.27 0.91 0.13 1.67 5.85 0.10 0.62 115.31 124.33 3tss h LEU 10 Ca 0.01 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3tss h LEU 10 Cb 0.57 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3tss h LEU 10 CO 0.02 0.62 -0.06 0.44 -0.34 0.00 0.00 178.44 179.11 3tss h ASP 11 N 1.06 -0.15 -0.46 1.25 3.32 -0.36 -0.68 116.42 120.40 3tss h ASP 11 Ca 0.34 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 3tss h ASP 11 Cb 0.02 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3tss h ASP 11 CO -0.12 0.07 0.19 -0.25 -1.72 0.00 0.00 179.24 177.41 3tss h TRP 12 N -0.37 0.70 0.00 4.55 2.91 -0.88 -3.22 115.95 119.64 3tss h TRP 12 Ca -0.02 -0.05 -0.04 0.00 1.13 0.00 0.00 58.89 59.91 3tss h TRP 12 Cb 0.30 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.73 3tss h TRP 12 CO -0.01 0.59 -1.08 1.88 -1.03 0.00 0.00 178.44 178.80 3tss h TYR 13 N 0.61 0.00 0.00 2.65 0.05 -0.87 -3.34 116.97 116.06 3tss h TYR 13 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.93 3tss h TYR 13 Cb 0.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.93 3tss h TYR 13 CO 0.00 0.15 -0.59 0.66 -1.05 0.00 0.00 178.16 177.33 3tss h SER 14 N 0.00 0.00 -3.94 3.88 4.64 -1.24 -3.37 113.55 113.51 3tss h SER 14 Ca -0.04 -0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.84 3tss h SER 14 Cb 1.15 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 63.40 3tss h SER 14 CO 0.01 0.00 0.33 -0.94 -0.87 0.00 0.00 176.83 175.36 3tss s SER 15 N -5.71 2.63 0.63 4.97 1.04 -1.21 -5.07 113.70 110.97 3tss s SER 15 Ca 0.03 0.49 -0.02 0.00 0.48 0.00 0.00 55.95 56.93 3tss s SER 15 Cb 0.08 -0.68 0.06 0.00 0.10 0.00 0.00 66.02 65.58 3tss s SER 15 CO 0.74 -3.05 0.42 0.61 0.98 0.00 0.00 173.24 172.94 3tss n GLY 16 N -2.75 0.26 3.34 7.32 0.00 -1.26 -5.03 105.19 107.07 3tss n GLY 16 Ca 0.13 -1.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.06 3tss n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3tss s SER 17 N -2.66 1.63 -0.17 1.61 1.04 -1.26 -4.93 113.70 108.96 3tss s SER 17 Ca 0.27 -1.32 -0.09 0.00 0.48 0.00 0.00 55.95 55.29 3tss s SER 17 Cb -0.01 0.06 -0.05 0.00 0.10 0.00 0.00 66.02 66.12 3tss s SER 17 CO 0.18 -0.63 0.15 -1.81 0.98 0.00 0.00 173.24 172.11 3tss s ASP 18 N -3.34 6.30 -0.10 7.02 1.01 0.65 -4.95 116.67 123.26 3tss s ASP 18 Ca 0.34 0.34 0.02 0.00 0.71 0.00 0.00 52.55 53.96 3tss s ASP 18 Cb 0.07 -2.09 0.01 0.00 1.01 0.00 0.00 42.92 41.92 3tss s ASP 18 CO 0.12 0.26 -0.15 -0.89 0.21 0.00 0.00 175.17 174.71 3tss s THR 19 N -0.14 1.44 -0.00 -1.27 2.01 -1.26 -1.40 115.64 115.02 3tss s THR 19 Ca 0.11 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.49 3tss s THR 19 Cb -0.12 -1.31 0.00 0.00 0.01 0.00 0.00 72.50 71.09 3tss s THR 19 CO 0.01 0.43 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.00 3tss s PHE 20 N 0.85 0.09 0.10 4.92 0.08 -0.16 -4.98 117.98 118.88 3tss s PHE 20 Ca -0.10 -0.01 0.10 0.00 0.12 0.00 0.00 56.93 57.04 3tss s PHE 20 Cb -0.15 -0.07 -0.04 0.00 -0.57 0.00 0.00 43.02 42.19 3tss s PHE 20 CO 0.01 -0.01 -0.23 0.95 -0.10 0.00 0.00 175.22 175.84 3tss s THR 21 N 0.04 2.50 -1.43 0.64 -4.23 -1.26 -0.12 115.64 111.78 3tss s THR 21 Ca -0.00 -1.55 -0.09 0.00 -1.18 0.00 0.00 61.69 58.87 3tss s THR 21 Cb -0.01 -2.09 0.04 0.00 1.34 0.00 0.00 72.50 71.78 3tss s THR 21 CO -0.00 0.17 0.99 -3.20 -0.54 0.00 0.00 174.62 172.04 3tss n ASN 22 N 1.09 -4.38 -4.85 3.99 5.15 -0.93 -4.64 115.26 110.68 3tss n ASN 22 Ca -0.17 -0.71 -0.32 0.00 -0.60 0.00 0.00 54.58 52.78 3tss n ASN 22 Cb 0.53 -4.30 -0.02 0.00 -0.53 0.00 0.00 39.78 35.46 3tss n ASN 22 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3tss s SER 23 N -3.58 6.47 -0.11 1.20 0.01 0.12 -4.65 113.70 113.17 3tss s SER 23 Ca 0.48 1.51 -0.03 0.00 1.31 0.00 0.00 55.95 59.22 3tss s SER 23 Cb -0.23 -2.49 -0.03 0.00 0.21 0.00 0.00 66.02 63.47 3tss s SER 23 CO 0.79 -0.69 0.02 -0.70 0.41 0.00 0.00 173.24 173.07 3tss s GLU 24 N -4.48 3.20 -0.16 12.44 2.12 0.87 -0.35 118.70 132.33 3tss s GLU 24 Ca 0.57 -0.39 -0.29 0.00 0.36 0.00 0.00 54.97 55.22 3tss s GLU 24 Cb -0.10 -2.89 -0.01 0.00 0.26 0.00 0.00 34.13 31.39 3tss s GLU 24 CO 0.40 0.62 1.17 0.08 -0.54 0.00 0.00 175.26 176.99 3tss s VAL 25 N -0.63 4.43 -0.20 3.70 1.01 -0.22 0.13 120.40 128.62 3tss s VAL 25 Ca 0.11 1.72 -0.15 0.00 0.00 0.00 0.00 61.98 63.65 3tss s VAL 25 Cb -0.12 -4.11 -0.20 0.00 0.00 0.00 0.00 36.38 31.95 3tss s VAL 25 CO 0.02 -0.12 0.15 0.18 0.00 0.00 0.00 175.10 175.33 3tss n LEU 26 N 6.21 2.14 -3.75 3.92 4.77 0.63 0.12 117.00 131.03 3tss n LEU 26 Ca 0.13 0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 56.30 3tss n LEU 26 Cb 0.46 -0.98 -0.08 0.00 -2.33 0.00 0.00 43.42 40.48 3tss n LEU 26 CO 0.54 0.50 0.04 -0.62 -1.33 0.00 0.00 177.39 176.53 3tss s ASP 27 N -6.98 -0.20 -0.29 -1.43 2.15 -0.54 -4.70 116.67 104.69 3tss s ASP 27 Ca -0.29 0.05 0.00 0.00 0.43 0.00 0.00 52.55 52.75 3tss s ASP 27 Cb 0.08 0.33 0.15 0.00 -0.30 0.00 0.00 42.92 43.17 3tss s ASP 27 CO 0.62 -0.49 0.35 0.21 -0.17 0.00 0.00 175.17 175.69 3tss s ASN 28 N -1.49 1.05 -0.12 -0.34 2.47 -1.26 -0.67 114.94 114.57 3tss s ASN 28 Ca -0.12 -0.54 -0.30 0.00 0.42 0.00 0.00 52.86 52.32 3tss s ASN 28 Cb -0.04 0.79 0.12 0.00 -1.45 0.00 0.00 41.25 40.67 3tss s ASN 28 CO 0.03 -0.37 1.00 -0.94 -3.72 0.00 0.00 177.10 173.10 3tss s SER 29 N 2.45 -0.34 -1.46 -4.21 1.04 -0.57 -4.99 113.70 105.61 3tss s SER 29 Ca 0.10 0.25 -0.10 0.00 0.48 0.00 0.00 55.95 56.68 3tss s SER 29 Cb -0.13 0.30 0.05 0.00 0.10 0.00 0.00 66.02 66.34 3tss s SER 29 CO -0.31 -0.40 0.83 0.18 0.98 0.00 0.00 173.24 174.52 3tss n LEU 30 N 0.39 -2.51 0.00 2.42 4.77 -1.26 -2.24 117.00 118.56 3tss n LEU 30 Ca -0.09 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 3tss n LEU 30 Cb 0.59 -2.65 0.00 0.00 -2.33 0.00 0.00 43.42 39.03 3tss n LEU 30 CO 0.14 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3tss n GLY 31 N -1.60 0.79 3.16 -0.72 0.00 -1.26 -5.04 105.19 100.52 3tss n GLY 31 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 3tss n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3tss s SER 32 N -2.63 1.00 0.01 1.61 1.04 -0.95 -0.53 113.70 113.24 3tss s SER 32 Ca 0.00 -1.02 0.05 0.00 0.48 0.00 0.00 55.95 55.46 3tss s SER 32 Cb 0.00 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 3tss s SER 32 CO 0.00 -0.50 -0.15 -0.04 0.98 0.00 0.00 173.24 173.53 3tss s MET 33 N -3.86 1.08 -0.19 4.02 -1.94 0.68 -1.51 119.30 117.57 3tss s MET 33 Ca 0.12 -0.64 -0.01 0.00 -1.71 0.00 0.00 55.69 53.45 3tss s MET 33 Cb 0.06 -1.07 0.01 0.00 2.01 0.00 0.00 34.83 35.83 3tss s MET 33 CO -0.05 0.28 -0.13 0.50 -0.01 0.00 0.00 175.02 175.61 3tss s ARG 34 N -0.72 3.17 0.00 2.03 3.52 0.15 -0.69 118.95 126.42 3tss s ARG 34 Ca 0.04 -0.74 0.06 0.00 -0.13 0.00 0.00 55.73 54.96 3tss s ARG 34 Cb -0.07 -2.74 -0.02 0.00 -1.56 0.00 0.00 34.95 30.56 3tss s ARG 34 CO 0.00 -0.17 -0.19 0.42 -0.81 0.00 0.00 175.30 174.56 3tss s ILE 35 N 1.28 1.49 -0.32 4.11 1.01 0.76 -0.27 121.20 129.27 3tss s ILE 35 Ca 0.04 -0.89 -0.11 0.00 0.00 0.00 0.00 60.65 59.68 3tss s ILE 35 Cb -0.14 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 3tss s ILE 35 CO -0.07 0.35 0.20 -0.75 0.00 0.00 0.00 174.94 174.67 3tss s LYS 36 N -0.64 3.51 0.34 2.79 2.47 0.12 -0.18 119.74 128.15 3tss s LYS 36 Ca 0.07 -0.62 -0.10 0.00 -1.56 0.00 0.00 55.97 53.76 3tss s LYS 36 Cb -0.08 -3.69 -0.07 0.00 -1.46 0.00 0.00 37.83 32.53 3tss s LYS 36 CO -0.00 -0.39 0.68 -0.80 0.16 0.00 0.00 175.35 175.00 3tss s ASN 37 N 1.69 6.57 0.44 1.43 0.01 -0.10 -0.09 114.94 124.89 3tss s ASN 37 Ca 0.06 1.04 0.30 0.00 -0.71 0.00 0.00 52.86 53.55 3tss s ASN 37 Cb -0.17 -2.28 1.61 0.00 0.41 0.00 0.00 41.25 40.82 3tss s ASN 37 CO 0.09 -0.27 1.92 0.71 -1.51 0.00 0.00 177.10 178.04 3tss h THR 38 N 1.45 0.00 -0.16 1.60 1.35 -1.82 0.14 112.91 115.46 3tss h THR 38 Ca -0.47 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3tss h THR 38 Cb 1.18 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 3tss h THR 38 CO 0.65 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.02 3tss n ASP 39 N -2.56 1.47 0.00 5.36 5.75 -1.26 -4.90 116.55 120.41 3tss n ASP 39 Ca -0.02 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 3tss n ASP 39 Cb 0.06 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 3tss n ASP 39 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3tss n GLY 40 N 1.08 1.21 3.84 6.12 0.00 0.47 -5.04 105.19 112.86 3tss n GLY 40 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3tss n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3tss s SER 41 N -2.94 6.02 -0.15 1.61 1.04 -1.25 -4.64 113.70 113.39 3tss s SER 41 Ca 0.00 1.56 -0.01 0.00 0.48 0.00 0.00 55.95 57.98 3tss s SER 41 Cb 0.00 -2.49 -0.01 0.00 0.10 0.00 0.00 66.02 63.61 3tss s SER 41 CO 0.00 -1.01 -0.11 -0.63 0.98 0.00 0.00 173.24 172.47 3tss s ILE 42 N -2.92 3.16 -0.17 -1.02 -1.09 0.21 -0.92 121.20 118.45 3tss s ILE 42 Ca 0.58 -0.61 -0.05 0.00 -2.23 0.00 0.00 60.65 58.33 3tss s ILE 42 Cb -0.12 -2.35 -0.03 0.00 -1.58 0.00 0.00 42.46 38.38 3tss s ILE 42 CO 0.47 0.51 0.01 -0.44 -1.23 0.00 0.00 174.94 174.25 3tss s SER 43 N 0.54 5.17 -0.34 3.58 0.01 0.75 -0.61 113.70 122.80 3tss s SER 43 Ca -0.07 -0.03 -0.05 0.00 1.31 0.00 0.00 55.95 57.10 3tss s SER 43 Cb -0.15 -1.86 0.05 0.00 0.21 0.00 0.00 66.02 64.27 3tss s SER 43 CO 0.04 0.18 0.10 -0.22 0.41 0.00 0.00 173.24 173.74 3tss s LEU 44 N 0.33 4.33 -0.12 2.44 2.96 0.36 -0.17 118.68 128.82 3tss s LEU 44 Ca -0.01 -1.24 0.02 0.00 -0.22 0.00 0.00 54.13 52.68 3tss s LEU 44 Cb -0.13 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 3tss s LEU 44 CO 0.02 -0.34 -0.17 -0.63 -1.32 0.00 0.00 176.35 173.91 3tss s ILE 45 N 1.36 2.69 0.12 6.68 1.01 0.14 -1.57 121.20 131.62 3tss s ILE 45 Ca -0.02 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 59.82 3tss s ILE 45 Cb -0.20 -2.09 -0.05 0.00 0.01 0.00 0.00 42.46 40.13 3tss s ILE 45 CO 0.02 0.54 0.31 0.27 0.00 0.00 0.00 174.94 176.08 3tss s ILE 46 N 0.31 5.26 -0.41 2.92 -4.36 -0.81 -0.23 121.20 123.87 3tss s ILE 46 Ca -0.13 -0.20 0.02 0.00 -0.26 0.00 0.00 60.65 60.08 3tss s ILE 46 Cb -0.16 -3.64 0.14 0.00 1.25 0.00 0.00 42.46 40.04 3tss s ILE 46 CO 0.07 0.05 0.24 -0.36 0.24 0.00 0.00 174.94 175.18 3tss s PHE 47 N -1.63 1.52 -0.18 1.37 0.08 0.31 -1.21 117.98 118.23 3tss s PHE 47 Ca 0.38 -2.16 0.29 0.00 0.12 0.00 0.00 56.93 55.55 3tss s PHE 47 Cb -0.12 -1.50 0.91 0.00 -0.57 0.00 0.00 43.02 41.74 3tss s PHE 47 CO 0.27 -0.79 1.81 -1.00 -0.10 0.00 0.00 175.22 175.40 3tss h PRO 48 N 6.70 0.00 -6.33 0.24 0.13 -1.83 -3.45 132.00 127.46 3tss h PRO 48 Ca 0.04 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.63 3tss h PRO 48 Cb 0.94 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.04 3tss h PRO 48 CO 0.40 0.00 0.32 0.45 -0.23 0.00 0.00 178.00 178.94 3tss s SER 49 N -5.79 7.29 0.00 1.44 0.15 -1.24 -4.84 113.70 110.72 3tss s SER 49 Ca 0.04 1.56 0.15 0.00 0.70 0.00 0.00 55.95 58.40 3tss s SER 49 Cb 0.07 -2.54 0.65 0.00 -1.71 0.00 0.00 66.02 62.50 3tss s SER 49 CO 0.59 -0.24 1.46 -0.81 1.20 0.00 0.00 173.24 175.44 3tss n PRO 50 N 3.90 0.04 0.00 5.44 -0.04 -1.26 -2.31 135.00 140.78 3tss n PRO 50 Ca 0.05 0.23 0.11 0.00 -0.04 0.00 0.00 63.50 63.84 3tss n PRO 50 Cb 0.51 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 3tss n PRO 50 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3tss n TYR 51 N -1.46 0.00 -3.72 0.54 4.01 -1.26 -4.74 117.16 110.54 3tss n TYR 51 Ca 0.04 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.49 3tss n TYR 51 Cb 0.16 -0.05 -0.14 0.00 -0.31 0.00 0.00 39.34 39.00 3tss n TYR 51 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 3tss s TYR 52 N -2.91 1.78 -0.28 -0.72 5.04 -0.98 -3.54 117.35 115.74 3tss s TYR 52 Ca 0.11 -1.97 -0.00 0.00 -2.44 0.00 0.00 57.07 52.76 3tss s TYR 52 Cb 0.17 -1.75 0.09 0.00 0.35 0.00 0.00 41.96 40.81 3tss s TYR 52 CO 0.79 -0.85 0.05 -1.12 -1.34 0.00 0.00 175.55 173.08 3tss s SER 53 N 1.18 3.95 0.16 4.32 0.01 -1.26 -4.58 113.70 117.48 3tss s SER 53 Ca 0.13 -1.51 -0.33 0.00 1.31 0.00 0.00 55.95 55.55 3tss s SER 53 Cb -0.20 -1.00 -0.13 0.00 0.21 0.00 0.00 66.02 64.91 3tss s SER 53 CO -0.15 -0.36 1.66 -2.65 0.41 0.00 0.00 173.24 172.15 3tss n PRO 54 N 4.76 2.43 -0.09 12.44 -0.02 -1.26 -4.89 135.00 148.36 3tss n PRO 54 Ca -0.04 0.88 0.10 0.00 -2.02 0.00 0.00 63.50 62.42 3tss n PRO 54 Cb 0.43 -2.69 0.35 0.00 -0.02 0.00 0.00 33.50 31.57 3tss n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3tss n ALA 55 N 3.93 2.51 -1.74 3.55 0.00 -1.26 -4.95 120.51 122.55 3tss n ALA 55 Ca 0.17 -0.57 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 3tss n ALA 55 Cb 0.32 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 3tss n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3tss n PHE 56 N 0.45 2.79 -3.19 0.00 3.72 -1.26 -5.00 117.46 114.97 3tss n PHE 56 Ca 0.16 0.24 -0.20 0.00 -0.05 0.00 0.00 57.45 57.60 3tss n PHE 56 Cb 0.36 -2.60 0.04 0.00 -0.94 0.00 0.00 39.48 36.34 3tss n PHE 56 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3tss s THR 57 N 0.13 2.26 0.18 4.37 -4.23 -1.26 -4.75 115.64 112.33 3tss s THR 57 Ca 0.66 -1.09 -0.33 0.00 -1.18 0.00 0.00 61.69 59.74 3tss s THR 57 Cb -0.51 -2.35 -0.14 0.00 1.34 0.00 0.00 72.50 70.83 3tss s THR 57 CO 0.47 0.00 1.41 1.17 -0.54 0.00 0.00 174.62 177.13 3tss n LYS 58 N -2.06 1.77 0.00 3.99 4.81 -1.26 -1.71 118.16 123.71 3tss n LYS 58 Ca 0.11 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 3tss n LYS 58 Cb 0.62 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.37 3tss n LYS 58 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3tss n GLY 59 N 2.59 3.21 3.75 3.14 0.00 0.12 -4.97 105.19 113.04 3tss n GLY 59 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3tss n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3tss s GLU 60 N -0.43 2.75 -0.01 1.61 2.02 -0.69 -4.63 118.70 119.31 3tss s GLU 60 Ca 0.00 1.64 -0.09 0.00 0.02 0.00 0.00 54.97 56.53 3tss s GLU 60 Cb 0.00 -1.92 -0.05 0.00 0.10 0.00 0.00 34.13 32.26 3tss s GLU 60 CO 0.00 -1.34 0.30 0.15 0.02 0.00 0.00 175.26 174.39 3tss s LYS 61 N -3.72 3.67 0.10 1.61 -0.14 -1.26 -1.05 119.74 118.95 3tss s LYS 61 Ca 0.73 0.09 -0.03 0.00 -1.36 0.00 0.00 55.97 55.40 3tss s LYS 61 Cb -0.26 -3.13 -0.03 0.00 -1.68 0.00 0.00 37.83 32.73 3tss s LYS 61 CO 0.38 0.68 0.07 0.14 -0.76 0.00 0.00 175.35 175.86 3tss s VAL 62 N -1.19 0.14 0.03 3.17 -7.23 0.52 -4.46 120.40 111.38 3tss s VAL 62 Ca 0.24 -1.74 0.04 0.00 -1.81 0.00 0.00 61.98 58.71 3tss s VAL 62 Cb -0.14 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 3tss s VAL 62 CO 0.13 -0.65 -0.05 -1.81 -0.31 0.00 0.00 175.10 172.41 3tss s ASP 63 N -2.97 4.75 -0.11 4.85 1.01 -0.35 0.15 116.67 123.99 3tss s ASP 63 Ca 0.15 -0.15 0.03 0.00 0.71 0.00 0.00 52.55 53.29 3tss s ASP 63 Cb 0.07 -1.12 -0.00 0.00 1.01 0.00 0.00 42.92 42.88 3tss s ASP 63 CO -0.04 0.25 -0.21 -0.76 0.21 0.00 0.00 175.17 174.62 3tss s LEU 64 N -1.68 2.25 -0.37 1.23 1.02 0.83 -1.88 118.68 120.09 3tss s LEU 64 Ca 0.19 -0.50 0.01 0.00 0.02 0.00 0.00 54.13 53.85 3tss s LEU 64 Cb -0.11 -1.47 0.15 0.00 0.02 0.00 0.00 46.19 44.78 3tss s LEU 64 CO 0.10 0.15 0.26 0.20 0.02 0.00 0.00 176.35 177.09 3tss s ASN 65 N 0.40 2.33 0.24 2.29 -0.87 -0.35 -0.99 114.94 118.00 3tss s ASN 65 Ca -0.16 -2.44 0.01 0.00 -1.57 0.00 0.00 52.86 48.71 3tss s ASN 65 Cb -0.17 -0.34 -0.04 0.00 -0.02 0.00 0.00 41.25 40.68 3tss s ASN 65 CO 0.07 -0.26 0.17 0.28 -2.57 0.00 0.00 177.10 174.79 3tss s THR 66 N 0.76 0.04 0.04 1.60 -1.32 -0.49 -4.32 115.64 111.95 3tss s THR 66 Ca 0.23 -2.00 0.09 0.00 -1.21 0.00 0.00 61.69 58.80 3tss s THR 66 Cb -0.14 -2.51 -0.03 0.00 -1.51 0.00 0.00 72.50 68.32 3tss s THR 66 CO -0.06 0.00 -0.25 -0.54 -2.21 0.00 0.00 174.62 171.56 3tss s LYS 67 N -3.96 1.72 0.11 7.08 -0.14 -1.26 -0.25 119.74 123.04 3tss s LYS 67 Ca 0.39 -1.07 -0.27 0.00 -1.36 0.00 0.00 55.97 53.66 3tss s LYS 67 Cb 0.06 -1.88 -0.07 0.00 -1.68 0.00 0.00 37.83 34.26 3tss s LYS 67 CO 0.16 0.49 0.84 1.03 -0.76 0.00 0.00 175.35 177.11 3tss s ARG 68 N -1.21 4.60 0.00 1.68 0.52 -1.26 -1.82 118.95 121.46 3tss s ARG 68 Ca 0.11 1.23 0.15 0.00 -0.52 0.00 0.00 55.73 56.70 3tss s ARG 68 Cb -0.10 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 32.00 3tss s ARG 68 CO 0.02 0.37 0.78 0.44 0.02 0.00 0.00 175.30 176.93 3tss n ILE 69 N 2.35 0.00 -4.07 1.52 -5.35 0.11 -4.95 119.36 108.97 3tss n ILE 69 Ca -0.02 -0.30 -0.10 0.00 -0.27 0.00 0.00 62.75 62.06 3tss n ILE 69 Cb 0.49 1.14 -0.07 0.00 -1.74 0.00 0.00 39.64 39.46 3tss n ILE 69 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3tss s LYS 70 N -1.97 1.35 0.11 6.28 -0.14 -1.23 -5.08 119.74 119.07 3tss s LYS 70 Ca 0.11 -1.39 -0.30 0.00 -1.36 0.00 0.00 55.97 53.03 3tss s LYS 70 Cb 0.12 0.38 -0.06 0.00 -1.68 0.00 0.00 37.83 36.59 3tss s LYS 70 CO 0.44 -0.51 1.06 0.15 -0.76 0.00 0.00 175.35 175.73 3tss s LYS 71 N -4.07 4.58 0.50 1.68 -0.14 -1.26 -4.61 119.74 116.43 3tss s LYS 71 Ca 0.28 1.61 -0.22 0.00 -1.36 0.00 0.00 55.97 56.28 3tss s LYS 71 Cb 0.03 -3.34 -0.06 0.00 -1.68 0.00 0.00 37.83 32.77 3tss s LYS 71 CO 0.09 0.03 1.25 -1.12 -0.76 0.00 0.00 175.35 174.84 3tss s SER 72 N 0.31 5.75 -0.09 2.83 0.01 -1.26 -4.85 113.70 116.40 3tss s SER 72 Ca 0.51 2.52 0.01 0.00 1.31 0.00 0.00 55.95 60.29 3tss s SER 72 Cb -0.27 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.32 3tss s SER 72 CO 0.31 -1.22 -0.12 -1.10 0.41 0.00 0.00 173.24 171.53 3tss s GLN 73 N -2.80 2.99 -0.49 12.44 -1.52 -0.51 -4.93 119.66 124.84 3tss s GLN 73 Ca 0.67 -0.65 -0.17 0.00 -1.95 0.00 0.00 55.36 53.26 3tss s GLN 73 Cb -0.34 -2.56 0.07 0.00 -0.22 0.00 0.00 33.01 29.96 3tss s GLN 73 CO 0.41 0.44 0.51 -1.58 -0.25 0.00 0.00 175.29 174.81 3tss s HIS 74 N -0.23 3.15 1.02 0.91 5.65 -1.26 -0.48 115.29 124.04 3tss s HIS 74 Ca 0.02 -0.75 -0.12 0.00 0.25 0.00 0.00 55.06 54.45 3tss s HIS 74 Cb -0.13 -3.36 0.20 0.00 -1.18 0.00 0.00 32.58 28.11 3tss s HIS 74 CO 0.03 -0.92 1.09 0.95 -0.65 0.00 0.00 174.74 175.24 3tss s THR 75 N 2.12 2.03 -0.19 0.89 -4.23 0.13 -4.90 115.64 111.50 3tss s THR 75 Ca 0.09 0.01 0.28 0.00 -1.18 0.00 0.00 61.69 60.90 3tss s THR 75 Cb -0.22 -2.48 0.31 0.00 1.34 0.00 0.00 72.50 71.45 3tss s THR 75 CO 0.09 -0.01 1.84 0.28 -0.54 0.00 0.00 174.62 176.28 3tss h SER 76 N -1.97 0.00 -0.04 3.99 0.02 -1.97 -0.32 113.55 113.26 3tss h SER 76 Ca -0.55 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 3tss h SER 76 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 3tss h SER 76 CO 0.57 0.00 0.00 1.21 -1.14 0.00 0.00 176.83 177.47 3tss n GLU 77 N -2.57 1.48 -0.96 3.45 2.13 -1.26 -4.90 120.64 118.01 3tss n GLU 77 Ca 0.01 -0.71 0.00 0.00 0.66 0.00 0.00 57.16 57.12 3tss n GLU 77 Cb 0.22 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.48 3tss n GLU 77 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3tss n GLY 78 N 1.10 0.50 3.82 8.31 0.00 -0.13 -5.03 105.19 113.76 3tss n GLY 78 Ca 0.19 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3tss n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3tss s THR 79 N -2.00 5.23 0.02 2.61 2.01 -1.25 -4.84 115.64 117.42 3tss s THR 79 Ca 0.00 0.11 -0.19 0.00 0.31 0.00 0.00 61.69 61.92 3tss s THR 79 Cb 0.00 -3.28 -0.06 0.00 0.01 0.00 0.00 72.50 69.17 3tss s THR 79 CO 0.00 0.60 0.56 0.26 -0.69 0.00 0.00 174.62 175.34 3tss s TRP 80 N -0.82 3.72 -0.15 4.92 0.52 -1.26 0.19 118.94 126.06 3tss s TRP 80 Ca 0.14 1.18 0.02 0.00 0.02 0.00 0.00 56.10 57.46 3tss s TRP 80 Cb -0.12 -2.53 0.01 0.00 -1.15 0.00 0.00 33.47 29.68 3tss s TRP 80 CO 0.03 0.46 -0.22 0.42 0.02 0.00 0.00 176.95 177.66 3tss s ILE 81 N -0.56 2.06 0.01 2.03 1.01 0.37 -0.62 121.20 125.50 3tss s ILE 81 Ca 0.29 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.97 3tss s ILE 81 Cb -0.18 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 3tss s ILE 81 CO 0.17 0.55 0.05 -1.00 0.00 0.00 0.00 174.94 174.71 3tss s HIS 82 N 0.88 3.19 -0.32 3.97 3.76 0.22 -1.43 115.29 125.57 3tss s HIS 82 Ca -0.05 0.14 0.04 0.00 -0.15 0.00 0.00 55.06 55.03 3tss s HIS 82 Cb -0.15 -1.69 0.09 0.00 1.11 0.00 0.00 32.58 31.93 3tss s HIS 82 CO -0.04 0.51 0.00 -0.06 -0.85 0.00 0.00 174.74 174.31 3tss s PHE 83 N -1.18 3.62 0.42 1.40 0.08 -1.26 -0.48 117.98 120.58 3tss s PHE 83 Ca 0.22 -2.81 0.05 0.00 0.12 0.00 0.00 56.93 54.51 3tss s PHE 83 Cb -0.12 -2.64 -0.06 0.00 -0.57 0.00 0.00 43.02 39.63 3tss s PHE 83 CO 0.14 -0.93 0.02 -0.65 -0.10 0.00 0.00 175.22 173.70 3tss s GLN 84 N 0.96 1.96 -0.05 0.44 -0.21 -0.61 0.08 119.66 122.24 3tss s GLN 84 Ca 0.05 -2.15 0.01 0.00 0.02 0.00 0.00 55.36 53.29 3tss s GLN 84 Cb -0.19 -1.42 0.02 0.00 1.00 0.00 0.00 33.01 32.42 3tss s GLN 84 CO -0.07 -0.17 -0.04 -1.50 -2.12 0.00 0.00 175.29 171.39 3tss s ILE 85 N -2.88 0.50 0.00 1.08 2.07 -0.76 -1.92 121.20 119.29 3tss s ILE 85 Ca 0.28 -0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.44 3tss s ILE 85 Cb 0.07 -0.55 0.00 0.00 0.13 0.00 0.00 42.46 42.12 3tss s ILE 85 CO 0.14 0.23 0.00 -0.24 -1.91 0.00 0.00 174.94 173.15 3tss n SER 86 N 4.23 -3.56 -1.69 4.50 2.88 -0.35 -4.09 113.62 115.53 3tss n SER 86 Ca -0.22 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.21 3tss n SER 86 Cb 0.51 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.99 3tss n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3tss n GLY 87 N 0.00 0.19 3.24 0.46 0.00 -1.26 -4.69 105.19 103.13 3tss n GLY 87 Ca 0.00 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 3tss n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3tss s VAL 88 N -2.96 2.88 0.27 1.61 1.01 -1.26 -1.21 120.40 120.73 3tss s VAL 88 Ca 0.19 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3tss s VAL 88 Cb -0.09 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 3tss s VAL 88 CO 0.24 0.47 0.11 0.42 0.00 0.00 0.00 175.10 176.34 3tss s THR 89 N 1.36 0.49 1.27 3.92 -4.23 -0.79 -4.89 115.64 112.77 3tss s THR 89 Ca 0.05 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.35 3tss s THR 89 Cb -0.14 -2.60 0.31 0.00 1.34 0.00 0.00 72.50 71.41 3tss s THR 89 CO -0.06 0.00 1.06 0.54 -0.54 0.00 0.00 174.62 175.62 3tss s ASN 90 N -3.33 0.32 0.00 3.99 2.20 -1.26 -1.22 114.94 115.65 3tss s ASN 90 Ca 0.37 0.69 0.23 0.00 -0.94 0.00 0.00 52.86 53.21 3tss s ASN 90 Cb 0.07 -0.96 0.49 0.00 -2.00 0.00 0.00 41.25 38.85 3tss s ASN 90 CO 0.14 -4.50 1.43 0.35 -2.94 0.00 0.00 177.10 171.59 3tss n THR 91 N -5.02 0.43 -1.71 0.54 -2.24 -1.26 -4.09 114.28 100.94 3tss n THR 91 Ca 0.13 -0.66 -0.42 0.00 -2.27 0.00 0.00 64.05 60.83 3tss n THR 91 Cb 0.60 0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 3tss n THR 91 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3tss n GLU 92 N 1.25 2.74 -4.87 -0.78 1.02 -1.26 -4.95 120.64 113.79 3tss n GLU 92 Ca 0.19 0.99 -0.32 0.00 -0.02 0.00 0.00 57.16 58.00 3tss n GLU 92 Cb 0.55 -2.85 -0.13 0.00 -0.02 0.00 0.00 31.44 28.98 3tss n GLU 92 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3tss s LYS 93 N 1.74 2.24 0.66 3.49 -0.14 -1.26 -1.01 119.74 125.46 3tss s LYS 93 Ca 0.78 -0.86 -0.15 0.00 -1.36 0.00 0.00 55.97 54.37 3tss s LYS 93 Cb -0.51 -2.23 -0.00 0.00 -1.68 0.00 0.00 37.83 33.41 3tss s LYS 93 CO 0.34 0.58 1.12 -0.51 -0.76 0.00 0.00 175.35 176.12 3tss s LEU 94 N -1.01 3.41 0.26 3.17 1.43 0.50 -4.80 118.68 121.63 3tss s LEU 94 Ca 0.13 2.05 -0.01 0.00 -1.03 0.00 0.00 54.13 55.27 3tss s LEU 94 Cb -0.10 -4.56 0.56 0.00 0.03 0.00 0.00 46.19 42.12 3tss s LEU 94 CO 0.02 -1.67 1.72 -0.65 0.23 0.00 0.00 176.35 176.00 3tss h PRO 95 N 0.08 0.44 -3.33 1.29 0.11 -1.99 -3.42 132.00 125.18 3tss h PRO 95 Ca -0.47 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 3tss h PRO 95 Cb 1.25 -0.10 -0.20 0.00 0.11 0.00 0.00 31.00 32.06 3tss h PRO 95 CO 0.54 0.29 -0.40 0.95 -0.21 0.00 0.00 178.00 179.17 3tss s THR 96 N -5.97 0.08 0.44 -1.15 -4.23 -1.26 -5.14 115.64 98.41 3tss s THR 96 Ca -0.12 -0.62 -0.25 0.00 -1.18 0.00 0.00 61.69 59.52 3tss s THR 96 Cb 0.22 -0.53 -0.09 0.00 1.34 0.00 0.00 72.50 73.44 3tss s THR 96 CO 0.77 -0.34 1.28 -2.65 -0.54 0.00 0.00 174.62 173.14 3tss n PRO 97 N 1.33 1.89 -4.40 3.99 -0.02 -1.26 -4.86 135.00 131.66 3tss n PRO 97 Ca -0.22 0.68 -0.23 0.00 -2.02 0.00 0.00 63.50 61.70 3tss n PRO 97 Cb 0.56 -2.41 -0.11 0.00 -0.02 0.00 0.00 33.50 31.52 3tss n PRO 97 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3tss s ILE 98 N -1.22 2.16 -0.26 4.25 -4.36 0.25 -4.82 121.20 117.20 3tss s ILE 98 Ca 0.63 -2.15 -0.15 0.00 -0.26 0.00 0.00 60.65 58.72 3tss s ILE 98 Cb -0.49 -2.09 -0.04 0.00 1.25 0.00 0.00 42.46 41.09 3tss s ILE 98 CO 0.57 -0.33 0.38 -1.83 0.24 0.00 0.00 174.94 173.97 3tss s GLU 99 N -3.10 4.05 0.04 0.37 4.04 -1.26 -0.19 118.70 122.65 3tss s GLU 99 Ca 0.23 0.07 -0.28 0.00 0.04 0.00 0.00 54.97 55.03 3tss s GLU 99 Cb -0.05 -3.63 -0.05 0.00 0.02 0.00 0.00 34.13 30.42 3tss s GLU 99 CO 0.10 -0.23 0.88 -0.51 -1.84 0.00 0.00 175.26 173.66 3tss s LEU 100 N 1.91 4.43 -0.78 1.83 1.43 -1.26 -4.98 118.68 121.26 3tss s LEU 100 Ca 0.16 1.58 -0.25 0.00 -1.03 0.00 0.00 54.13 54.59 3tss s LEU 100 Cb -0.15 -3.42 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 3tss s LEU 100 CO 0.09 -0.10 2.00 -2.84 0.23 0.00 0.00 176.35 175.73 3tss s PRO 101 N 0.34 2.44 -0.35 1.29 0.02 -1.26 -4.96 135.00 132.53 3tss s PRO 101 Ca 0.45 0.16 -0.09 0.00 0.02 0.00 0.00 61.00 61.54 3tss s PRO 101 Cb -0.21 -4.81 0.03 0.00 0.02 0.00 0.00 34.50 29.53 3tss s PRO 101 CO 0.26 -3.30 0.15 -1.17 -0.33 0.00 0.00 177.00 172.61 3tss s LEU 102 N 10.42 4.41 -0.19 -5.54 2.96 -1.25 -0.35 118.68 129.15 3tss s LEU 102 Ca 0.73 -0.97 -0.05 0.00 -0.22 0.00 0.00 54.13 53.62 3tss s LEU 102 Cb -0.10 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 3tss s LEU 102 CO 0.08 -0.32 0.01 -0.54 -1.32 0.00 0.00 176.35 174.26 3tss s LYS 103 N 1.50 3.72 -0.05 1.98 1.02 0.44 -4.89 119.74 123.46 3tss s LYS 103 Ca 0.01 -0.47 0.05 0.00 0.02 0.00 0.00 55.97 55.58 3tss s LYS 103 Cb -0.19 -3.09 -0.02 0.00 -0.52 0.00 0.00 37.83 34.01 3tss s LYS 103 CO 0.05 0.12 -0.21 0.08 -0.92 0.00 0.00 175.35 174.46 3tss s VAL 104 N 0.73 2.42 -0.05 3.17 1.01 -1.26 -0.62 120.40 125.80 3tss s VAL 104 Ca 0.01 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.09 3tss s VAL 104 Cb -0.14 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3tss s VAL 104 CO 0.02 0.57 -0.21 -0.54 0.00 0.00 0.00 175.10 174.95 3tss s LYS 105 N -0.39 2.10 -0.19 2.72 1.02 0.44 0.31 119.74 125.74 3tss s LYS 105 Ca 0.04 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.28 3tss s LYS 105 Cb -0.12 -1.82 0.04 0.00 -0.52 0.00 0.00 37.83 35.42 3tss s LYS 105 CO 0.02 0.32 -0.08 0.08 -0.92 0.00 0.00 175.35 174.77 3tss s VAL 106 N -0.10 1.43 -1.37 3.17 1.01 0.10 -0.04 120.40 124.60 3tss s VAL 106 Ca -0.03 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 3tss s VAL 106 Cb -0.12 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.73 3tss s VAL 106 CO 0.03 0.13 1.02 1.41 0.00 0.00 0.00 175.10 177.69 3tss n HIS 107 N 4.76 -2.45 0.00 5.22 8.25 -0.49 -1.94 115.22 128.57 3tss n HIS 107 Ca -0.13 0.95 0.00 0.00 -0.26 0.00 0.00 57.72 58.27 3tss n HIS 107 Cb 0.47 -4.65 0.00 0.00 1.12 0.00 0.00 29.99 26.92 3tss n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3tss n GLY 108 N -1.70 2.99 3.84 -1.41 0.00 -1.26 -5.02 105.19 102.62 3tss n GLY 108 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 3tss n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3tss s LYS 109 N -0.21 3.69 0.50 1.61 -0.14 -0.82 -4.99 119.74 119.39 3tss s LYS 109 Ca 0.00 -0.06 -0.22 0.00 -1.36 0.00 0.00 55.97 54.33 3tss s LYS 109 Cb 0.00 -3.25 -0.07 0.00 -1.68 0.00 0.00 37.83 32.82 3tss s LYS 109 CO 0.00 0.65 1.14 -3.47 -0.76 0.00 0.00 175.35 172.90 3tss n ASP 110 N 2.35 1.75 -3.69 2.83 2.03 -1.26 -0.73 116.55 119.83 3tss n ASP 110 Ca -0.18 0.97 -0.27 0.00 0.52 0.00 0.00 54.79 55.84 3tss n ASP 110 Cb 0.54 -1.45 -0.17 0.00 -0.72 0.00 0.00 41.12 39.32 3tss n ASP 110 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3tss s SER 111 N -0.87 2.60 0.48 1.67 0.15 0.15 -4.80 113.70 113.08 3tss s SER 111 Ca 0.68 -0.69 -0.24 0.00 0.70 0.00 0.00 55.95 56.40 3tss s SER 111 Cb -0.47 -0.44 -0.07 0.00 -1.71 0.00 0.00 66.02 63.32 3tss s SER 111 CO 0.53 -0.32 1.41 -2.16 1.20 0.00 0.00 173.24 173.89 3tss s PRO 112 N 1.98 3.49 0.71 5.44 0.04 -1.26 -4.25 135.00 141.14 3tss s PRO 112 Ca 0.01 2.36 -0.11 0.00 0.04 0.00 0.00 61.00 63.29 3tss s PRO 112 Cb -0.16 -2.51 0.01 0.00 0.04 0.00 0.00 34.50 31.88 3tss s PRO 112 CO -0.08 -0.95 1.08 -0.51 0.04 0.00 0.00 177.00 176.58 3tss s LEU 113 N -3.01 2.92 -0.24 -3.56 1.43 -1.26 -5.03 118.68 109.92 3tss s LEU 113 Ca 0.65 1.23 -0.08 0.00 -1.03 0.00 0.00 54.13 54.90 3tss s LEU 113 Cb -0.43 -4.05 0.11 0.00 0.03 0.00 0.00 46.19 41.85 3tss s LEU 113 CO 0.53 -1.37 0.51 -0.54 0.23 0.00 0.00 176.35 175.72 3tss s LYS 114 N -5.28 0.43 -0.54 1.70 1.02 -1.26 -4.93 119.74 110.88 3tss s LYS 114 Ca 0.58 1.20 -0.02 0.00 0.02 0.00 0.00 55.97 57.74 3tss s LYS 114 Cb -0.12 0.54 0.00 0.00 -0.52 0.00 0.00 37.83 37.74 3tss s LYS 114 CO 0.53 -0.24 0.32 0.66 -0.92 0.00 0.00 175.35 175.69 3tss n TYR 115 N 5.41 -0.88 -2.87 3.18 4.01 -1.26 -4.81 117.16 119.95 3tss n TYR 115 Ca -0.10 0.28 -0.43 0.00 -0.16 0.00 0.00 57.90 57.49 3tss n TYR 115 Cb 0.49 -2.39 -0.04 0.00 -0.31 0.00 0.00 39.34 37.10 3tss n TYR 115 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 3tss s TRP 116 N -2.92 2.70 0.76 -0.72 -0.00 -1.26 -5.02 118.94 112.48 3tss s TRP 116 Ca 0.16 -0.60 -0.15 0.00 -0.00 0.00 0.00 56.10 55.51 3tss s TRP 116 Cb -0.07 -4.28 0.05 0.00 -0.00 0.00 0.00 33.47 29.17 3tss s TRP 116 CO 0.20 -1.63 1.15 -2.30 -0.00 0.00 0.00 176.95 174.37 3tss n PRO 117 N 7.60 0.44 -2.27 5.86 -0.02 -1.26 -5.00 135.00 140.35 3tss n PRO 117 Ca -0.03 0.22 -0.28 0.00 -2.02 0.00 0.00 63.50 61.38 3tss n PRO 117 Cb 0.45 -2.40 0.02 0.00 -0.02 0.00 0.00 33.50 31.55 3tss n PRO 117 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3tss s LYS 118 N -3.77 3.26 -0.06 -0.52 -0.14 -1.26 -4.72 119.74 112.53 3tss s LYS 118 Ca 0.75 0.31 0.06 0.00 -1.36 0.00 0.00 55.97 55.72 3tss s LYS 118 Cb -0.32 -2.22 -0.01 0.00 -1.68 0.00 0.00 37.83 33.60 3tss s LYS 118 CO 0.49 -0.57 -0.24 -0.06 -0.76 0.00 0.00 175.35 174.21 3tss s PHE 119 N -3.01 2.47 -1.15 3.18 0.40 0.74 -4.84 117.98 115.76 3tss s PHE 119 Ca 0.53 -0.73 0.11 0.00 -0.60 0.00 0.00 56.93 56.24 3tss s PHE 119 Cb -0.11 -1.62 0.02 0.00 0.51 0.00 0.00 43.02 41.83 3tss s PHE 119 CO 0.48 -0.22 0.73 -0.40 0.70 0.00 0.00 175.22 176.51 3tss n ASP 120 N 2.99 1.48 -4.83 1.36 5.75 -1.26 -0.59 116.55 121.46 3tss n ASP 120 Ca -0.18 -1.24 -0.38 0.00 -0.01 0.00 0.00 54.79 52.98 3tss n ASP 120 Cb 0.52 0.34 -0.06 0.00 -1.03 0.00 0.00 41.12 40.89 3tss n ASP 120 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3tss s LYS 121 N -1.33 3.92 0.05 0.11 1.02 -1.26 -0.37 119.74 121.88 3tss s LYS 121 Ca 0.11 0.36 -0.23 0.00 0.02 0.00 0.00 55.97 56.22 3tss s LYS 121 Cb 0.09 -3.24 -0.15 0.00 -0.52 0.00 0.00 37.83 34.01 3tss s LYS 121 CO 0.24 0.65 1.53 -0.22 -0.92 0.00 0.00 175.35 176.63 3tss h LYS 122 N 4.94 0.09 -6.71 1.68 1.63 -1.38 -3.42 116.57 113.39 3tss h LYS 122 Ca -0.51 -0.02 -0.70 0.00 -0.85 0.00 0.00 60.65 58.58 3tss h LYS 122 Cb 1.22 -0.01 -0.27 0.00 -0.60 0.00 0.00 32.23 32.57 3tss h LYS 122 CO 0.63 0.29 -0.88 1.14 -3.45 0.00 0.00 179.45 177.18 3tss s GLN 123 N -5.27 1.86 0.02 1.90 -2.07 -1.26 -0.74 119.66 114.10 3tss s GLN 123 Ca -0.14 -1.08 0.02 0.00 -1.82 0.00 0.00 55.36 52.34 3tss s GLN 123 Cb 0.05 -2.00 -0.01 0.00 -1.09 0.00 0.00 33.01 29.95 3tss s GLN 123 CO 0.68 0.52 -0.07 -0.51 -1.32 0.00 0.00 175.29 174.59 3tss s LEU 124 N -1.18 2.13 0.51 2.60 1.43 -0.47 -4.84 118.68 118.87 3tss s LEU 124 Ca 0.12 -0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 52.68 3tss s LEU 124 Cb -0.10 -0.25 -0.06 0.00 0.03 0.00 0.00 46.19 45.80 3tss s LEU 124 CO 0.02 -0.06 1.17 0.00 0.23 0.00 0.00 176.35 177.71 3tss s ALA 125 N -0.75 2.80 0.32 4.21 0.00 -1.26 -1.19 121.76 125.89 3tss s ALA 125 Ca -0.03 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.85 3tss s ALA 125 Cb -0.06 -3.39 0.52 0.00 0.00 0.00 0.00 23.12 20.19 3tss s ALA 125 CO 0.00 -0.81 1.95 0.82 0.00 0.00 0.00 175.76 177.73 3tss h ILE 126 N 1.46 1.19 -0.18 0.00 2.04 -1.83 -1.25 117.51 118.95 3tss h ILE 126 Ca -0.50 -0.45 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 3tss h ILE 126 Cb 1.26 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3tss h ILE 126 CO 0.58 0.21 -0.16 0.77 0.00 0.00 0.00 178.15 179.55 3tss h SER 127 N 0.92 0.28 -0.24 1.72 4.64 -1.92 0.22 113.55 119.18 3tss h SER 127 Ca 0.24 -0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.43 3tss h SER 127 Cb -0.01 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 3tss h SER 127 CO -0.04 0.47 -0.09 0.74 -0.87 0.00 0.00 176.83 177.03 3tss h THR 128 N 0.27 1.29 -0.73 2.95 2.02 -1.51 -1.35 112.91 115.85 3tss h THR 128 Ca 0.05 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.10 3tss h THR 128 Cb 0.45 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 68.36 3tss h THR 128 CO 0.03 0.35 0.47 -0.07 0.37 0.00 0.00 175.52 176.67 3tss h LEU 129 N 0.22 0.85 -0.04 2.58 3.38 -0.69 0.55 115.31 122.16 3tss h LEU 129 Ca 0.06 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3tss h LEU 129 Cb 0.58 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3tss h LEU 129 CO 0.03 0.63 -0.11 -0.78 0.09 0.00 0.00 178.44 178.30 3tss h ASP 130 N 0.99 -0.32 -0.03 -0.43 3.58 -0.42 0.27 116.42 120.06 3tss h ASP 130 Ca 0.27 0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.67 3tss h ASP 130 Cb -0.09 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 3tss h ASP 130 CO -0.06 -0.15 -0.28 0.15 -2.88 0.00 0.00 179.24 176.02 3tss h PHE 131 N -0.16 0.52 -0.34 0.28 3.04 -0.70 -1.47 116.94 118.11 3tss h PHE 131 Ca 0.06 -0.12 -0.01 0.00 3.98 0.00 0.00 57.97 61.88 3tss h PHE 131 Cb 0.24 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.61 3tss h PHE 131 CO -0.19 0.70 0.17 0.87 -2.02 0.00 0.00 178.31 177.84 3tss h LYS 132 N 0.41 0.48 0.75 1.11 1.79 -0.58 0.98 116.57 121.51 3tss h LYS 132 Ca 0.06 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 3tss h LYS 132 Cb 0.70 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 31.27 3tss h LYS 132 CO 0.05 0.42 -0.36 0.82 -1.08 0.00 0.00 179.45 179.31 3tss h ILE 133 N 0.41 0.23 -0.48 1.86 2.04 -0.75 -2.01 117.51 118.81 3tss h ILE 133 Ca 0.12 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 3tss h ILE 133 Cb 0.10 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 3tss h ILE 133 CO -0.02 0.01 0.24 0.03 0.00 0.00 0.00 178.15 178.41 3tss h ARG 134 N -1.06 0.67 -0.60 2.37 3.08 -1.22 0.96 114.38 118.58 3tss h ARG 134 Ca -0.10 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3tss h ARG 134 Cb 0.79 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 3tss h ARG 134 CO 0.17 0.52 0.38 1.25 -1.07 0.00 0.00 179.97 181.22 3tss h HIS 135 N 0.67 0.76 -0.26 3.04 2.76 -0.72 0.30 115.15 121.71 3tss h HIS 135 Ca 0.17 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.35 3tss h HIS 135 Cb 0.06 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 3tss h HIS 135 CO 0.00 0.50 0.15 0.37 -1.30 0.00 0.00 177.93 177.65 3tss h GLN 136 N 0.81 0.35 -0.84 5.26 5.75 -0.49 -0.54 115.11 125.41 3tss h GLN 136 Ca 0.22 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.70 3tss h GLN 136 Cb -0.06 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.37 3tss h GLN 136 CO -0.04 0.29 0.55 -0.07 -2.65 0.00 0.00 178.83 176.91 3tss h LEU 137 N 0.32 0.93 -0.03 -2.39 3.38 -0.04 -0.97 115.31 116.51 3tss h LEU 137 Ca 0.09 -0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.78 3tss h LEU 137 Cb 0.04 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.58 3tss h LEU 137 CO -0.02 0.66 -1.07 0.71 0.09 0.00 0.00 178.44 178.82 3tss h THR 138 N 1.09 1.34 -0.09 0.22 1.35 -0.07 -0.46 112.91 116.30 3tss h THR 138 Ca 0.32 -2.44 -0.23 0.00 -0.55 0.00 0.00 66.41 63.51 3tss h THR 138 Cb -0.06 2.51 0.01 0.00 -1.73 0.00 0.00 68.15 68.88 3tss h THR 138 CO -0.08 0.74 -0.85 1.56 -0.25 0.00 0.00 175.52 176.63 3tss h GLN 139 N 0.28 0.69 0.00 4.72 1.08 -0.92 -3.20 115.11 117.76 3tss h GLN 139 Ca -0.12 -0.62 -0.01 0.00 -1.45 0.00 0.00 58.65 56.45 3tss h GLN 139 Cb 1.72 0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 29.30 3tss h GLN 139 CO 0.20 1.22 -1.54 0.25 -0.95 0.00 0.00 178.83 178.01 3tss n THR 140 N -3.88 0.04 0.16 -0.54 -2.24 -0.39 -4.62 114.28 102.82 3tss n THR 140 Ca -0.08 -0.27 0.04 0.00 -2.27 0.00 0.00 64.05 61.47 3tss n THR 140 Cb 0.78 0.18 0.07 0.00 -2.10 0.00 0.00 70.33 69.26 3tss n THR 140 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3tss n HIS 141 N -1.93 0.15 -1.20 4.78 8.25 -0.27 -5.00 115.22 120.00 3tss n HIS 141 Ca -0.03 -0.20 -0.07 0.00 -0.26 0.00 0.00 57.72 57.16 3tss n HIS 141 Cb 0.33 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.40 3tss n HIS 141 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3tss n GLY 142 N 0.41 0.90 3.68 -1.41 0.00 -0.65 -4.93 105.19 103.20 3tss n GLY 142 Ca 0.07 -0.52 -0.45 0.00 0.00 0.00 0.00 46.02 45.12 3tss n GLY 142 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3tss n LEU 143 N -0.80 3.25 0.00 0.99 7.94 -0.84 -0.64 117.00 126.91 3tss n LEU 143 Ca -0.07 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.94 3tss n LEU 143 Cb 0.27 -1.45 0.00 0.00 0.53 0.00 0.00 43.42 42.77 3tss n LEU 143 CO 0.11 -0.29 0.00 -1.22 -1.11 0.00 0.00 177.39 174.88 3tss n TYR 144 N 2.85 0.00 0.46 1.96 4.01 0.11 -4.44 117.16 122.11 3tss n TYR 144 Ca 0.14 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.00 3tss n TYR 144 Cb 0.31 -0.64 0.11 0.00 -0.31 0.00 0.00 39.34 38.80 3tss n TYR 144 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3tss h ARG 145 N 1.35 0.00 -3.59 -0.72 3.08 -1.08 -3.47 114.38 109.96 3tss h ARG 145 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3tss h ARG 145 Cb 0.00 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 29.87 3tss h ARG 145 CO 0.00 0.00 -0.45 -1.54 -1.07 0.00 0.00 179.97 176.91 3tss s SER 146 N -4.45 0.06 0.43 7.04 1.04 -1.23 -5.04 113.70 111.55 3tss s SER 146 Ca 0.04 -0.35 0.29 0.00 0.48 0.00 0.00 55.95 56.41 3tss s SER 146 Cb 0.13 0.25 1.56 0.00 0.10 0.00 0.00 66.02 68.06 3tss s SER 146 CO 0.75 -0.49 1.89 0.77 0.98 0.00 0.00 173.24 177.14 3tss h SER 147 N 3.74 0.00 -0.51 7.02 4.64 -1.95 -0.74 113.55 125.75 3tss h SER 147 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3tss h SER 147 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3tss h SER 147 CO 0.46 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.52 3tss n ASP 148 N -2.52 3.08 -3.21 4.97 5.75 -1.26 -4.54 116.55 118.82 3tss n ASP 148 Ca -0.02 -1.97 -0.23 0.00 -0.01 0.00 0.00 54.79 52.56 3tss n ASP 148 Cb 0.06 -0.34 -0.07 0.00 -1.03 0.00 0.00 41.12 39.74 3tss n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3tss n LYS 149 N 1.19 0.56 0.00 0.11 5.02 -0.28 -4.61 118.16 120.16 3tss n LYS 149 Ca 0.19 -3.08 0.00 0.00 -2.02 0.00 0.00 58.31 53.40 3tss n LYS 149 Cb 0.50 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 3tss n LYS 149 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3tss n THR 150 N 1.87 0.07 -3.81 -0.18 -2.24 -1.06 0.05 114.28 108.98 3tss n THR 150 Ca 0.23 -0.37 -0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3tss n THR 150 Cb 0.52 1.25 -0.00 0.00 -2.10 0.00 0.00 70.33 70.01 3tss n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3tss n GLY 151 N -0.04 3.60 0.00 3.38 0.00 -0.46 -4.03 105.19 107.65 3tss n GLY 151 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3tss n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3tss n GLY 152 N -0.01 0.41 3.64 -0.02 0.00 -1.26 -1.38 105.19 106.57 3tss n GLY 152 Ca 0.00 -1.93 -0.04 0.00 0.00 0.00 0.00 46.02 44.05 3tss n GLY 152 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3tss s TYR 153 N -1.18 -0.17 0.07 1.61 1.13 -0.42 -1.09 117.35 117.31 3tss s TYR 153 Ca 0.00 -0.02 0.06 0.00 -1.41 0.00 0.00 57.07 55.71 3tss s TYR 153 Cb 0.00 0.58 -0.03 0.00 -1.10 0.00 0.00 41.96 41.41 3tss s TYR 153 CO 0.00 -0.56 -0.17 1.67 -2.51 0.00 0.00 175.55 173.98 3tss s TRP 154 N -2.96 1.47 -0.06 -3.49 1.48 -0.57 -1.06 118.94 113.75 3tss s TRP 154 Ca 0.10 -0.42 -0.02 0.00 -1.06 0.00 0.00 56.10 54.70 3tss s TRP 154 Cb 0.00 -0.83 0.04 0.00 -1.16 0.00 0.00 33.47 31.52 3tss s TRP 154 CO -0.03 0.11 0.12 0.21 -4.06 0.00 0.00 176.95 173.30 3tss s LYS 155 N -1.63 0.05 -0.20 3.25 2.20 0.53 -1.20 119.74 122.74 3tss s LYS 155 Ca 0.02 0.35 -0.04 0.00 -0.36 0.00 0.00 55.97 55.94 3tss s LYS 155 Cb -0.09 -0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 35.99 3tss s LYS 155 CO 0.03 -0.18 -0.02 0.42 -0.36 0.00 0.00 175.35 175.23 3tss s ILE 156 N 1.28 3.73 -0.19 5.43 1.01 0.10 -0.95 121.20 131.61 3tss s ILE 156 Ca -0.08 -0.39 -0.05 0.00 0.00 0.00 0.00 60.65 60.14 3tss s ILE 156 Cb -0.12 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.64 3tss s ILE 156 CO -0.05 0.43 0.01 -0.89 0.00 0.00 0.00 174.94 174.43 3tss s THR 157 N 1.12 4.06 0.74 2.92 2.01 0.17 -0.95 115.64 125.71 3tss s THR 157 Ca 0.02 -0.28 -0.11 0.00 0.31 0.00 0.00 61.69 61.63 3tss s THR 157 Cb -0.14 -2.83 0.05 0.00 0.01 0.00 0.00 72.50 69.58 3tss s THR 157 CO 0.01 0.43 1.11 -0.04 -0.69 0.00 0.00 174.62 175.44 3tss s MET 158 N 0.88 2.38 0.21 4.92 1.00 0.13 -0.00 119.30 128.82 3tss s MET 158 Ca 0.01 0.18 -0.10 0.00 0.00 0.00 0.00 55.69 55.78 3tss s MET 158 Cb -0.14 -2.03 0.19 0.00 0.00 0.00 0.00 34.83 32.85 3tss s MET 158 CO 0.02 -1.29 1.86 -0.91 0.00 0.00 0.00 175.02 174.71 3tss h ASN 159 N -0.79 0.79 0.00 3.03 2.35 -1.42 0.60 115.58 120.13 3tss h ASN 159 Ca -0.45 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 3tss h ASN 159 Cb 1.30 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.49 3tss h ASN 159 CO 0.64 0.55 0.00 -0.90 -1.65 0.00 0.00 177.43 176.07 3tss n ASP 160 N -4.62 0.00 0.00 5.81 5.68 -1.26 -4.85 116.55 117.30 3tss n ASP 160 Ca 0.08 -0.88 0.00 0.00 -0.50 0.00 0.00 54.79 53.49 3tss n ASP 160 Cb 0.07 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 3tss n ASP 160 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3tss n GLY 161 N 0.31 1.40 3.75 6.12 0.00 0.20 -5.05 105.19 111.92 3tss n GLY 161 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3tss n GLY 161 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3tss s SER 162 N -2.60 5.06 0.19 1.61 1.04 -1.26 -4.59 113.70 113.16 3tss s SER 162 Ca 0.00 2.42 0.08 0.00 0.48 0.00 0.00 55.95 58.93 3tss s SER 162 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.47 3tss s SER 162 CO 0.00 -1.68 -0.16 0.42 0.98 0.00 0.00 173.24 172.80 3tss s THR 163 N -1.58 1.75 -0.01 2.02 -4.23 -1.26 0.19 115.64 112.51 3tss s THR 163 Ca 0.78 -2.09 0.02 0.00 -1.18 0.00 0.00 61.69 59.22 3tss s THR 163 Cb -0.31 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.58 3tss s THR 163 CO 0.35 -0.50 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.55 3tss s TYR 164 N -2.63 0.67 0.04 3.99 2.02 -0.12 -4.97 117.35 116.35 3tss s TYR 164 Ca 0.20 -0.14 -0.00 0.00 -0.37 0.00 0.00 57.07 56.75 3tss s TYR 164 Cb -0.03 -0.47 -0.03 0.00 -0.40 0.00 0.00 41.96 41.03 3tss s TYR 164 CO 0.07 -0.05 -0.04 -1.14 -1.57 0.00 0.00 175.55 172.82 3tss s GLN 165 N 0.06 0.52 -0.14 -0.62 -0.44 -1.26 0.03 119.66 117.81 3tss s GLN 165 Ca -0.00 -0.98 -0.09 0.00 -2.50 0.00 0.00 55.36 51.78 3tss s GLN 165 Cb -0.05 0.10 0.05 0.00 -1.64 0.00 0.00 33.01 31.47 3tss s GLN 165 CO -0.00 -0.07 0.35 0.45 0.50 0.00 0.00 175.29 176.52 3tss s SER 166 N -2.31 -0.40 -0.06 6.67 0.15 -0.34 -4.97 113.70 112.44 3tss s SER 166 Ca -0.02 0.73 -0.30 0.00 0.70 0.00 0.00 55.95 57.06 3tss s SER 166 Cb 0.00 0.66 -0.02 0.00 -1.71 0.00 0.00 66.02 64.95 3tss s SER 166 CO -0.06 -0.16 1.03 -0.62 1.20 0.00 0.00 173.24 174.63 3tss s ASP 167 N 0.88 7.26 0.21 5.45 -1.08 -1.26 -1.52 116.67 126.61 3tss s ASP 167 Ca -0.06 1.62 0.25 0.00 -0.52 0.00 0.00 52.55 53.85 3tss s ASP 167 Cb -0.06 -2.56 0.90 0.00 -1.46 0.00 0.00 42.92 39.73 3tss s ASP 167 CO -0.07 -0.40 1.75 0.18 0.52 0.00 0.00 175.17 177.15 3tss n LEU 168 N 4.61 0.67 0.08 -1.34 4.77 -0.25 -2.70 117.00 122.84 3tss n LEU 168 Ca 0.08 0.60 0.13 0.00 -0.03 0.00 0.00 56.01 56.79 3tss n LEU 168 Cb 0.49 -0.44 0.33 0.00 -2.33 0.00 0.00 43.42 41.47 3tss n LEU 168 CO 0.52 -0.32 0.69 -1.54 -1.33 0.00 0.00 177.39 175.42 3tss n SER 169 N -2.17 0.73 -4.47 -1.43 3.41 -1.26 -4.66 113.62 103.77 3tss n SER 169 Ca 0.04 0.39 -0.24 0.00 -0.26 0.00 0.00 58.87 58.80 3tss n SER 169 Cb 0.34 -0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 63.76 3tss n SER 169 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3tss s LYS 170 N -3.12 1.66 0.61 4.33 -0.14 -1.10 -4.96 119.74 117.03 3tss s LYS 170 Ca 0.09 -1.74 -0.16 0.00 -1.36 0.00 0.00 55.97 52.80 3tss s LYS 170 Cb 0.13 -1.78 -0.02 0.00 -1.68 0.00 0.00 37.83 34.48 3tss s LYS 170 CO 0.64 0.34 1.09 0.21 -0.76 0.00 0.00 175.35 176.87 3tss s LYS 171 N -3.41 3.10 0.40 1.68 2.47 -1.26 -4.80 119.74 117.92 3tss s LYS 171 Ca 0.29 1.35 -0.25 0.00 -1.56 0.00 0.00 55.97 55.80 3tss s LYS 171 Cb -0.05 -1.99 -0.11 0.00 -1.46 0.00 0.00 37.83 34.21 3tss s LYS 171 CO 0.14 -1.01 1.09 0.34 0.16 0.00 0.00 175.35 176.08 3tss n PHE 172 N -2.08 1.48 -2.73 4.03 7.35 -1.26 -4.86 117.46 119.39 3tss n PHE 172 Ca 0.10 0.56 -0.43 0.00 -0.76 0.00 0.00 57.45 56.92 3tss n PHE 172 Cb 0.52 -2.28 -0.00 0.00 0.35 0.00 0.00 39.48 38.07 3tss n PHE 172 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 3tss s GLU 173 N -1.99 3.96 0.42 -4.13 -6.30 -1.26 -4.75 118.70 104.65 3tss s GLU 173 Ca 0.61 -2.11 0.10 0.00 -2.50 0.00 0.00 54.97 51.08 3tss s GLU 173 Cb -0.57 -5.31 0.90 0.00 0.00 0.00 0.00 34.13 29.16 3tss s GLU 173 CO 0.58 -2.04 2.00 1.88 0.02 0.00 0.00 175.26 177.69 3tss h TYR 174 N 7.72 0.27 0.00 5.30 0.05 -1.99 -2.67 116.97 125.65 3tss h TYR 174 Ca 0.36 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 59.12 3tss h TYR 174 Cb 0.90 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 38.55 3tss h TYR 174 CO 1.28 0.29 -0.02 -0.91 -1.05 0.00 0.00 178.16 177.74 3tss h ASN 175 N 0.26 0.00 0.00 3.88 -0.26 -1.88 -2.67 115.58 114.92 3tss h ASN 175 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 3tss h ASN 175 Cb 0.19 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.45 3tss h ASN 175 CO 0.00 0.02 -0.00 0.35 -1.06 0.00 0.00 177.43 176.75 3tss n THR 176 N -3.26 1.11 -1.61 2.81 -2.24 -1.03 -3.99 114.28 106.07 3tss n THR 176 Ca -0.02 -1.16 -0.50 0.00 -2.27 0.00 0.00 64.05 60.10 3tss n THR 176 Cb 0.16 0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 68.74 3tss n THR 176 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3tss n GLU 177 N -0.62 1.42 -2.09 -0.78 2.13 -1.01 -4.84 120.64 114.85 3tss n GLU 177 Ca 0.02 0.51 -0.27 0.00 0.66 0.00 0.00 57.16 58.08 3tss n GLU 177 Cb 0.31 -2.16 0.07 0.00 0.27 0.00 0.00 31.44 29.93 3tss n GLU 177 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3tss s LYS 178 N 0.37 2.32 0.80 5.31 -0.14 -1.26 -3.30 119.74 123.83 3tss s LYS 178 Ca 0.80 -0.01 -0.12 0.00 -1.36 0.00 0.00 55.97 55.28 3tss s LYS 178 Cb -0.86 -2.10 0.08 0.00 -1.68 0.00 0.00 37.83 33.27 3tss s LYS 178 CO 0.46 -1.24 1.15 -2.14 -0.76 0.00 0.00 175.35 172.82 3tss s PRO 179 N -5.33 1.84 0.62 -1.68 0.02 -1.23 -4.61 135.00 124.64 3tss s PRO 179 Ca 0.59 1.51 -0.18 0.00 0.02 0.00 0.00 61.00 62.95 3tss s PRO 179 Cb -0.11 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 3tss s PRO 179 CO 0.47 -2.01 0.94 -2.30 -0.33 0.00 0.00 177.00 173.77 3tss n PRO 180 N -3.40 0.80 -4.35 5.54 -0.02 -1.26 -4.68 135.00 127.62 3tss n PRO 180 Ca 0.12 0.32 -0.25 0.00 -2.02 0.00 0.00 63.50 61.66 3tss n PRO 180 Cb 0.52 -2.15 -0.09 0.00 -0.02 0.00 0.00 33.50 31.75 3tss n PRO 180 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3tss s ILE 181 N -1.57 2.98 -0.34 4.25 -4.36 -0.33 -4.89 121.20 116.94 3tss s ILE 181 Ca 0.76 -1.94 -0.27 0.00 -0.26 0.00 0.00 60.65 58.94 3tss s ILE 181 Cb -0.40 -2.52 0.01 0.00 1.25 0.00 0.00 42.46 40.80 3tss s ILE 181 CO 0.47 -0.24 0.98 0.20 0.24 0.00 0.00 174.94 176.59 3tss s ASN 182 N -3.16 6.79 0.56 4.36 0.01 -1.26 -1.37 114.94 120.86 3tss s ASN 182 Ca 0.27 0.81 0.34 0.00 -0.71 0.00 0.00 52.86 53.57 3tss s ASN 182 Cb -0.07 -2.49 1.51 0.00 0.41 0.00 0.00 41.25 40.60 3tss s ASN 182 CO 0.15 -0.84 2.04 0.16 -1.51 0.00 0.00 177.10 177.11 3tss h ILE 183 N 5.75 0.10 0.00 0.60 3.07 -1.19 -0.63 117.51 125.22 3tss h ILE 183 Ca -0.22 -0.49 0.00 0.00 1.55 0.00 0.00 64.86 65.70 3tss h ILE 183 Cb 1.07 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 39.06 3tss h ILE 183 CO 0.99 0.03 0.00 -0.90 -1.05 0.00 0.00 178.15 177.22 3tss n ASP 184 N -3.16 0.00 -0.69 2.16 5.75 -1.26 -2.03 116.55 117.32 3tss n ASP 184 Ca -0.00 -0.39 0.06 0.00 -0.01 0.00 0.00 54.79 54.45 3tss n ASP 184 Cb 0.27 -0.12 0.15 0.00 -1.03 0.00 0.00 41.12 40.40 3tss n ASP 184 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3tss n GLU 185 N -1.12 2.45 -2.88 0.11 1.02 -0.24 -4.96 120.64 115.01 3tss n GLU 185 Ca 0.13 -1.96 -0.41 0.00 -0.02 0.00 0.00 57.16 54.90 3tss n GLU 185 Cb 0.11 -1.30 -0.04 0.00 -0.02 0.00 0.00 31.44 30.20 3tss n GLU 185 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3tss s ILE 186 N -1.01 4.94 -0.08 -3.67 1.01 -0.86 -1.09 121.20 120.44 3tss s ILE 186 Ca 0.24 1.72 -0.01 0.00 0.00 0.00 0.00 60.65 62.60 3tss s ILE 186 Cb 0.13 -4.17 -0.00 0.00 0.01 0.00 0.00 42.46 38.43 3tss s ILE 186 CO 0.18 0.16 -0.01 0.50 0.00 0.00 0.00 174.94 175.76 3tss h LYS 187 N 6.91 0.00 -4.26 2.79 3.64 -0.64 -3.45 116.57 121.57 3tss h LYS 187 Ca -0.38 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.87 3tss h LYS 187 Cb 1.19 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.86 3tss h LYS 187 CO 0.78 0.00 -0.66 0.95 -2.27 0.00 0.00 179.45 178.25 3tss s THR 188 N -1.47 0.19 -0.07 1.00 -4.23 -0.91 -4.71 115.64 105.44 3tss s THR 188 Ca -0.01 -1.81 -0.01 0.00 -1.18 0.00 0.00 61.69 58.69 3tss s THR 188 Cb 0.00 -1.62 0.03 0.00 1.34 0.00 0.00 72.50 72.25 3tss s THR 188 CO 0.02 -0.88 -0.03 -0.63 -0.54 0.00 0.00 174.62 172.56 3tss s ILE 189 N -3.94 0.54 0.06 2.99 1.01 0.53 -0.65 121.20 121.73 3tss s ILE 189 Ca 0.10 -0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.79 3tss s ILE 189 Cb 0.08 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 3tss s ILE 189 CO -0.08 0.27 -0.16 -1.83 0.00 0.00 0.00 174.94 173.15 3tss s GLU 190 N 1.64 0.94 -0.01 2.79 -1.05 -0.13 -0.42 118.70 122.47 3tss s GLU 190 Ca 0.01 -0.91 0.00 0.00 -0.15 0.00 0.00 54.97 53.92 3tss s GLU 190 Cb -0.13 -1.00 0.01 0.00 -0.44 0.00 0.00 34.13 32.58 3tss s GLU 190 CO -0.04 0.24 0.01 0.00 0.95 0.00 0.00 175.26 176.41 3tss s ALA 191 N -1.06 0.06 -0.07 -0.84 0.00 0.21 -0.35 121.76 119.70 3tss s ALA 191 Ca 0.01 0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.13 3tss s ALA 191 Cb -0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 3tss s ALA 191 CO 0.02 -0.04 -0.22 -2.00 0.00 0.00 0.00 175.76 173.53 3tss s GLU 192 N 0.44 2.51 -0.13 0.00 2.56 -0.22 -0.42 118.70 123.44 3tss s GLU 192 Ca -0.04 -0.78 -0.03 0.00 0.00 0.00 0.00 54.97 54.12 3tss s GLU 192 Cb -0.06 -2.01 -0.03 0.00 2.00 0.00 0.00 34.13 34.03 3tss s GLU 192 CO -0.01 0.23 -0.01 0.42 -0.56 0.00 0.00 175.26 175.32 3tss s ILE 193 N 0.19 4.17 0.00 -3.70 1.01 0.94 -1.30 121.20 122.51 3tss s ILE 193 Ca -0.12 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.26 3tss s ILE 193 Cb -0.15 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.51 3tss s ILE 193 CO 0.06 0.53 0.18 0.59 0.00 0.00 0.00 174.94 176.29