#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4tss n THR 2 N 0.00 0.00 -3.92 0.44 -2.24 -1.26 -4.91 114.28 102.40 4tss n THR 2 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 4tss n THR 2 Cb 0.00 -0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 67.49 4tss n THR 2 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 4tss s ASN 3 N -0.45 -0.19 0.54 3.42 2.20 -1.26 -5.04 114.94 114.16 4tss s ASN 3 Ca 0.00 -0.74 0.43 0.00 -0.94 0.00 0.00 52.86 51.61 4tss s ASN 3 Cb 0.00 0.67 1.64 0.00 -2.00 0.00 0.00 41.25 41.56 4tss s ASN 3 CO 0.00 -1.26 1.68 -0.78 -2.94 0.00 0.00 177.10 173.79 4tss h ASP 4 N 2.10 0.02 -0.00 3.54 3.58 -2.01 0.49 116.42 124.13 4tss h ASP 4 Ca -0.22 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.24 4tss h ASP 4 Cb 1.25 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.31 4tss h ASP 4 CO 0.28 -0.01 0.01 -1.13 -2.88 0.00 0.00 179.24 175.52 4tss h ASN 5 N 0.01 0.00 0.00 2.28 -1.24 -1.99 -1.52 115.58 113.12 4tss h ASN 5 Ca 0.77 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 57.53 4tss h ASN 5 Cb 3.05 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 42.06 4tss h ASN 5 CO -0.03 0.00 -1.87 -0.38 -1.29 0.00 0.00 177.43 173.85 4tss n ILE 6 N -3.31 0.86 -0.17 2.57 2.08 0.17 -3.91 119.36 117.65 4tss n ILE 6 Ca -0.03 -0.25 -0.01 0.00 0.56 0.00 0.00 62.75 63.02 4tss n ILE 6 Cb 0.09 -1.53 0.07 0.00 -0.75 0.00 0.00 39.64 37.52 4tss n ILE 6 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 4tss h LYS 7 N -0.42 0.14 -0.19 0.38 1.57 -1.40 0.92 116.57 117.57 4tss h LYS 7 Ca -0.38 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.27 4tss h LYS 7 Cb 1.39 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.66 4tss h LYS 7 CO -0.19 0.09 -0.39 -0.44 -0.57 0.00 0.00 179.45 177.95 4tss h ASP 8 N 0.14 0.45 0.88 0.86 3.32 -1.53 -0.40 116.42 120.14 4tss h ASP 8 Ca 0.27 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 4tss h ASP 8 Cb 0.41 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 4tss h ASP 8 CO -0.43 0.80 -0.44 -0.07 -1.72 0.00 0.00 179.24 177.38 4tss h LEU 9 N 0.36 0.00 -0.67 1.55 3.38 -1.15 -2.50 115.31 116.28 4tss h LEU 9 Ca 0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 4tss h LEU 9 Cb 0.84 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 4tss h LEU 9 CO 0.07 0.44 -0.31 0.25 0.09 0.00 0.00 178.44 178.98 4tss h LEU 10 N 0.00 0.72 0.28 1.67 5.85 0.16 -2.04 115.31 121.94 4tss h LEU 10 Ca -0.00 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 4tss h LEU 10 Cb 1.00 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.83 4tss h LEU 10 CO 0.06 0.97 -0.13 -0.78 -0.34 0.00 0.00 178.44 178.22 4tss h ASP 11 N 0.59 -0.32 -0.54 1.25 3.58 -0.67 -2.82 116.42 117.49 4tss h ASP 11 Ca 0.07 0.01 0.14 0.00 0.42 0.00 0.00 57.03 57.67 4tss h ASP 11 Cb 0.82 0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.92 4tss h ASP 11 CO 0.07 -0.19 0.38 -0.25 -2.88 0.00 0.00 179.24 176.37 4tss h TRP 12 N -0.44 0.12 0.00 0.28 2.91 -1.55 -2.77 115.95 114.50 4tss h TRP 12 Ca -0.04 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.94 4tss h TRP 12 Cb 0.29 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.89 4tss h TRP 12 CO 0.12 0.05 -0.86 1.88 -1.03 0.00 0.00 178.44 178.60 4tss h TYR 13 N 0.10 0.00 0.06 2.65 0.05 -1.43 -3.37 116.97 115.03 4tss h TYR 13 Ca 0.26 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.74 4tss h TYR 13 Cb 0.89 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.60 4tss h TYR 13 CO -0.00 0.16 -1.58 0.66 -1.05 0.00 0.00 178.16 176.35 4tss h SER 14 N 0.00 0.20 0.00 3.88 4.64 -1.22 -3.35 113.55 117.69 4tss h SER 14 Ca -0.03 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 4tss h SER 14 Cb 1.16 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 4tss h SER 14 CO 0.02 1.28 0.00 -1.54 -0.87 0.00 0.00 176.83 175.71 4tss n SER 15 N -3.29 0.00 -3.64 4.97 3.41 -1.15 -4.99 113.62 108.92 4tss n SER 15 Ca -0.16 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.30 4tss n SER 15 Cb 1.03 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.91 4tss n SER 15 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 4tss s GLY 16 N 0.00 -0.44 1.26 5.00 0.00 -1.26 -5.08 107.32 106.79 4tss s GLY 16 Ca 0.00 1.39 -0.19 0.00 0.00 0.00 0.00 44.72 45.92 4tss s GLY 16 CO 0.00 1.13 1.02 -1.35 0.00 0.00 0.00 173.10 173.90 4tss s SER 17 N -0.33 0.34 0.45 1.64 1.04 -1.26 -4.84 113.70 110.73 4tss s SER 17 Ca -0.05 0.93 0.07 0.00 0.48 0.00 0.00 55.95 57.38 4tss s SER 17 Cb -0.03 -1.37 -0.02 0.00 0.10 0.00 0.00 66.02 64.70 4tss s SER 17 CO 0.04 -4.52 0.28 -1.81 0.98 0.00 0.00 173.24 168.22 4tss s ASP 18 N -3.31 4.65 -0.45 7.02 1.11 -0.36 -5.01 116.67 120.32 4tss s ASP 18 Ca 0.69 -1.03 0.07 0.00 0.18 0.00 0.00 52.55 52.46 4tss s ASP 18 Cb -0.15 -0.27 0.18 0.00 1.07 0.00 0.00 42.92 43.75 4tss s ASP 18 CO 0.59 -0.71 0.64 -0.89 1.18 0.00 0.00 175.17 175.97 4tss s THR 19 N -2.61 -0.92 0.53 -1.27 2.01 -1.26 -3.95 115.64 108.17 4tss s THR 19 Ca 0.41 -0.48 0.08 0.00 0.31 0.00 0.00 61.69 62.01 4tss s THR 19 Cb 0.00 -0.08 0.06 0.00 0.01 0.00 0.00 72.50 72.50 4tss s THR 19 CO 0.23 -0.07 0.72 -0.36 -0.69 0.00 0.00 174.62 174.45 4tss s PHE 20 N 1.44 1.98 0.26 4.92 0.08 -1.02 -4.96 117.98 120.68 4tss s PHE 20 Ca 0.21 -0.56 -0.17 0.00 0.12 0.00 0.00 56.93 56.54 4tss s PHE 20 Cb -0.03 -2.34 0.01 0.00 -0.57 0.00 0.00 43.02 40.09 4tss s PHE 20 CO -0.06 -0.91 0.59 0.95 -0.10 0.00 0.00 175.22 175.69 4tss s THR 21 N -2.58 0.00 -1.10 0.64 -4.23 -1.26 -2.56 115.64 104.54 4tss s THR 21 Ca 0.59 -1.15 -0.12 0.00 -1.18 0.00 0.00 61.69 59.83 4tss s THR 21 Cb -0.07 -2.04 0.12 0.00 1.34 0.00 0.00 72.50 71.84 4tss s THR 21 CO 0.37 -0.01 0.30 0.59 -0.54 0.00 0.00 174.62 175.33 4tss n ASN 22 N -0.41 -0.80 -4.92 3.99 4.13 -1.08 -4.44 115.26 111.73 4tss n ASN 22 Ca -0.04 -0.76 -0.26 0.00 1.68 0.00 0.00 54.58 55.21 4tss n ASN 22 Cb 0.61 -0.96 0.01 0.00 -1.54 0.00 0.00 39.78 37.89 4tss n ASN 22 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 4tss s SER 23 N -2.63 6.01 0.49 6.41 0.01 0.89 -4.57 113.70 120.31 4tss s SER 23 Ca 0.41 0.69 0.08 0.00 1.31 0.00 0.00 55.95 58.44 4tss s SER 23 Cb -0.24 -1.94 0.03 0.00 0.21 0.00 0.00 66.02 64.08 4tss s SER 23 CO 0.62 -0.70 0.55 -1.61 0.41 0.00 0.00 173.24 172.51 4tss s GLU 24 N -4.72 2.49 -0.19 12.44 2.02 -0.51 0.31 118.70 130.54 4tss s GLU 24 Ca 0.48 -1.58 -0.03 0.00 0.02 0.00 0.00 54.97 53.86 4tss s GLU 24 Cb -0.10 -2.50 -0.01 0.00 0.10 0.00 0.00 34.13 31.61 4tss s GLU 24 CO 0.43 -0.49 -0.07 0.08 0.02 0.00 0.00 175.26 175.23 4tss s VAL 25 N -2.55 3.33 -2.43 2.63 1.01 -1.24 -2.19 120.40 118.95 4tss s VAL 25 Ca 0.51 -0.53 0.23 0.00 0.00 0.00 0.00 61.98 62.19 4tss s VAL 25 Cb -0.05 -2.48 0.44 0.00 0.00 0.00 0.00 36.38 34.29 4tss s VAL 25 CO 0.31 0.46 1.51 0.18 0.00 0.00 0.00 175.10 177.56 4tss n LEU 26 N 4.30 2.21 0.00 3.92 4.77 0.31 -3.34 117.00 129.17 4tss n LEU 26 Ca -0.18 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 4tss n LEU 26 Cb 0.51 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 4tss n LEU 26 CO 0.30 0.44 0.00 0.47 -1.33 0.00 0.00 177.39 177.27 4tss n ASP 27 N 0.69 0.00 -3.82 -1.43 9.92 -1.15 -4.91 116.55 115.85 4tss n ASP 27 Ca 0.17 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 54.13 4tss n ASP 27 Cb 0.43 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.75 4tss n ASP 27 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 4tss s ASN 28 N 0.00 3.83 0.42 -2.24 3.84 -1.26 -2.40 114.94 117.13 4tss s ASN 28 Ca 0.00 -1.39 0.07 0.00 0.21 0.00 0.00 52.86 51.75 4tss s ASN 28 Cb 0.00 -0.98 -0.04 0.00 -0.55 0.00 0.00 41.25 39.68 4tss s ASN 28 CO 0.00 -0.34 0.22 -0.44 -2.79 0.00 0.00 177.10 173.76 4tss s SER 29 N 1.53 4.54 -0.06 -4.21 0.01 0.75 -5.01 113.70 111.24 4tss s SER 29 Ca 0.03 -1.03 -0.36 0.00 1.31 0.00 0.00 55.95 55.90 4tss s SER 29 Cb -0.18 -0.45 -0.13 0.00 0.21 0.00 0.00 66.02 65.47 4tss s SER 29 CO -0.14 -0.59 1.75 -0.11 0.41 0.00 0.00 173.24 174.56 4tss n LEU 30 N -1.31 3.02 -3.20 2.44 7.94 -1.26 -1.36 117.00 123.27 4tss n LEU 30 Ca -0.00 1.03 -0.17 0.00 -1.11 0.00 0.00 56.01 55.75 4tss n LEU 30 Cb 0.64 -1.32 -0.02 0.00 0.53 0.00 0.00 43.42 43.25 4tss n LEU 30 CO 0.45 -0.25 -0.06 0.61 -1.11 0.00 0.00 177.39 177.02 4tss n GLY 31 N 4.02 -0.47 3.35 -3.96 0.00 -1.26 -4.88 105.19 101.99 4tss n GLY 31 Ca 0.22 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 4tss n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 4tss s SER 32 N -2.49 -0.53 -0.01 1.61 0.15 -0.46 -1.71 113.70 110.26 4tss s SER 32 Ca 0.30 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.92 4tss s SER 32 Cb -0.17 0.93 0.02 0.00 -1.71 0.00 0.00 66.02 65.09 4tss s SER 32 CO 0.37 -0.18 0.02 -0.32 1.20 0.00 0.00 173.24 174.33 4tss s MET 33 N 0.72 0.01 -0.33 5.44 1.75 0.19 -0.18 119.30 126.91 4tss s MET 33 Ca -0.04 0.11 0.04 0.00 -1.25 0.00 0.00 55.69 54.55 4tss s MET 33 Cb -0.05 -0.19 0.09 0.00 2.84 0.00 0.00 34.83 37.52 4tss s MET 33 CO -0.05 -0.10 0.03 0.50 -0.65 0.00 0.00 175.02 174.75 4tss s ARG 34 N 0.69 1.54 0.44 4.11 3.52 -1.01 -0.26 118.95 127.98 4tss s ARG 34 Ca -0.06 -1.77 0.08 0.00 -0.13 0.00 0.00 55.73 53.86 4tss s ARG 34 Cb -0.08 -3.11 0.01 0.00 -1.56 0.00 0.00 34.95 30.21 4tss s ARG 34 CO -0.02 -0.89 0.57 0.42 -0.81 0.00 0.00 175.30 174.56 4tss s ILE 35 N 0.96 2.84 -0.16 4.11 1.01 0.06 0.11 121.20 130.13 4tss s ILE 35 Ca 0.08 -1.05 -0.01 0.00 0.00 0.00 0.00 60.65 59.66 4tss s ILE 35 Cb -0.19 -2.89 0.05 0.00 0.01 0.00 0.00 42.46 39.43 4tss s ILE 35 CO -0.08 0.00 -0.01 -0.75 0.00 0.00 0.00 174.94 174.09 4tss s LYS 36 N -4.35 1.04 0.72 2.79 2.47 -0.93 -0.62 119.74 120.86 4tss s LYS 36 Ca 0.55 -0.40 -0.11 0.00 -1.56 0.00 0.00 55.97 54.44 4tss s LYS 36 Cb -0.08 -1.89 0.02 0.00 -1.46 0.00 0.00 37.83 34.41 4tss s LYS 36 CO 0.33 -0.49 1.07 -0.80 0.16 0.00 0.00 175.35 175.62 4tss s ASN 37 N 1.75 5.14 0.32 1.43 0.01 0.81 -1.42 114.94 122.99 4tss s ASN 37 Ca 0.01 1.61 0.10 0.00 -0.71 0.00 0.00 52.86 53.86 4tss s ASN 37 Cb -0.16 -2.45 0.90 0.00 0.41 0.00 0.00 41.25 39.96 4tss s ASN 37 CO -0.07 -1.59 1.71 0.71 -1.51 0.00 0.00 177.10 176.34 4tss h THR 38 N -0.82 0.47 0.00 1.60 1.35 -1.80 -2.01 112.91 111.69 4tss h THR 38 Ca -0.44 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 4tss h THR 38 Cb 1.22 -0.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 4tss h THR 38 CO 0.56 0.09 0.00 -0.90 -0.25 0.00 0.00 175.52 175.02 4tss n ASP 39 N -4.96 2.60 0.00 5.36 5.68 -1.26 -4.81 116.55 119.15 4tss n ASP 39 Ca 0.27 -1.58 0.00 0.00 -0.50 0.00 0.00 54.79 52.98 4tss n ASP 39 Cb 0.78 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 4tss n ASP 39 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 4tss n GLY 40 N 0.93 1.71 3.78 6.12 0.00 -0.75 -4.96 105.19 112.01 4tss n GLY 40 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 4tss n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 4tss s SER 41 N -0.20 6.26 0.11 1.61 1.04 -1.26 -4.72 113.70 116.55 4tss s SER 41 Ca 0.00 2.14 0.07 0.00 0.48 0.00 0.00 55.95 58.64 4tss s SER 41 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 4tss s SER 41 CO 0.00 -0.85 -0.06 0.27 0.98 0.00 0.00 173.24 173.59 4tss s ILE 42 N -1.70 3.59 -0.04 -1.02 -4.36 -0.13 -0.14 121.20 117.41 4tss s ILE 42 Ca 0.65 -1.22 0.06 0.00 -0.26 0.00 0.00 60.65 59.88 4tss s ILE 42 Cb -0.24 -2.71 -0.01 0.00 1.25 0.00 0.00 42.46 40.75 4tss s ILE 42 CO 0.29 0.08 -0.23 -0.44 0.24 0.00 0.00 174.94 174.87 4tss s SER 43 N -2.35 2.78 -0.94 4.36 0.01 0.21 -0.78 113.70 116.99 4tss s SER 43 Ca 0.24 -0.45 -0.10 0.00 1.31 0.00 0.00 55.95 56.95 4tss s SER 43 Cb -0.11 -0.58 0.24 0.00 0.21 0.00 0.00 66.02 65.78 4tss s SER 43 CO 0.16 0.25 0.89 -0.76 0.41 0.00 0.00 173.24 174.19 4tss s LEU 44 N -0.28 6.33 0.02 2.44 1.43 -0.73 -0.76 118.68 127.13 4tss s LEU 44 Ca 0.01 -3.22 -0.18 0.00 -1.03 0.00 0.00 54.13 49.72 4tss s LEU 44 Cb -0.11 -2.15 -0.06 0.00 0.03 0.00 0.00 46.19 43.90 4tss s LEU 44 CO 0.02 -0.39 0.51 -0.63 0.23 0.00 0.00 176.35 176.08 4tss s ILE 45 N -0.65 4.89 0.37 -0.59 1.01 0.64 -2.73 121.20 124.15 4tss s ILE 45 Ca 0.24 1.06 0.08 0.00 0.00 0.00 0.00 60.65 62.04 4tss s ILE 45 Cb -0.10 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 4tss s ILE 45 CO -0.09 0.53 0.19 0.27 0.00 0.00 0.00 174.94 175.85 4tss s ILE 46 N -0.87 2.78 -0.35 2.92 -4.36 -1.06 0.55 121.20 120.80 4tss s ILE 46 Ca 0.27 -1.64 0.00 0.00 -0.26 0.00 0.00 60.65 59.03 4tss s ILE 46 Cb -0.18 -2.99 0.14 0.00 1.25 0.00 0.00 42.46 40.68 4tss s ILE 46 CO 0.16 -0.11 0.23 -0.36 0.24 0.00 0.00 174.94 175.11 4tss s PHE 47 N -2.48 0.61 0.00 1.37 0.08 -0.69 -2.16 117.98 114.71 4tss s PHE 47 Ca 0.40 -1.56 0.00 0.00 0.12 0.00 0.00 56.93 55.89 4tss s PHE 47 Cb -0.01 -0.85 0.00 0.00 -0.57 0.00 0.00 43.02 41.59 4tss s PHE 47 CO 0.23 -0.84 0.42 -0.35 -0.10 0.00 0.00 175.22 174.58 4tss n PRO 48 N 4.02 0.00 -1.26 0.24 -0.04 -1.26 -4.38 135.00 132.31 4tss n PRO 48 Ca 0.13 0.16 -0.49 0.00 -0.04 0.00 0.00 63.50 63.25 4tss n PRO 48 Cb 0.38 -0.92 -0.07 0.00 -0.04 0.00 0.00 33.50 32.85 4tss n PRO 48 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 4tss n SER 49 N -0.58 0.59 0.18 3.54 2.88 -1.20 -4.88 113.62 114.16 4tss n SER 49 Ca 0.00 0.90 0.04 0.00 -1.33 0.00 0.00 58.87 58.48 4tss n SER 49 Cb 0.00 -0.68 0.34 0.00 -0.75 0.00 0.00 64.21 63.12 4tss n SER 49 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 4tss h PRO 50 N 3.26 0.00 -0.31 -1.46 0.13 -1.86 -2.68 132.00 129.08 4tss h PRO 50 Ca -0.35 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.67 4tss h PRO 50 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 4tss h PRO 50 CO 0.66 0.41 -0.26 1.88 -0.23 0.00 0.00 178.00 180.45 4tss h TYR 51 N 0.00 0.70 -3.50 1.56 -1.99 -1.90 -3.37 116.97 108.48 4tss h TYR 51 Ca -0.00 -0.16 -0.79 0.00 2.00 0.00 0.00 58.73 59.77 4tss h TYR 51 Cb 0.83 -0.17 -0.29 0.00 2.00 0.00 0.00 36.73 39.11 4tss h TYR 51 CO 0.00 0.82 0.42 0.98 -0.00 0.00 0.00 178.16 180.38 4tss n TYR 52 N -4.10 5.05 -4.52 4.88 9.36 -1.01 -4.61 117.16 122.21 4tss n TYR 52 Ca -0.00 -3.88 -0.33 0.00 3.32 0.00 0.00 57.90 57.00 4tss n TYR 52 Cb 0.44 -1.63 -0.15 0.00 -0.63 0.00 0.00 39.34 37.37 4tss n TYR 52 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 4tss s SER 53 N 1.00 3.75 -0.08 2.98 0.01 -1.26 -4.78 113.70 115.32 4tss s SER 53 Ca 0.31 -0.44 -0.14 0.00 1.31 0.00 0.00 55.95 56.98 4tss s SER 53 Cb -0.09 -1.58 -0.05 0.00 0.21 0.00 0.00 66.02 64.51 4tss s SER 53 CO -0.08 0.09 0.35 -2.84 0.41 0.00 0.00 173.24 171.18 4tss s PRO 54 N 0.79 4.03 -0.73 12.44 0.02 -1.26 -5.00 135.00 145.29 4tss s PRO 54 Ca -0.05 0.26 0.04 0.00 0.02 0.00 0.00 61.00 61.27 4tss s PRO 54 Cb -0.15 -3.31 0.28 0.00 0.02 0.00 0.00 34.50 31.34 4tss s PRO 54 CO 0.00 0.48 0.99 0.00 -0.33 0.00 0.00 177.00 178.15 4tss n ALA 55 N 2.66 4.54 -2.77 -1.55 0.00 -1.26 -4.99 120.51 117.14 4tss n ALA 55 Ca -0.13 -4.76 -0.37 0.00 0.00 0.00 0.00 53.44 48.19 4tss n ALA 55 Cb 0.52 -1.19 -0.07 0.00 0.00 0.00 0.00 19.45 18.72 4tss n ALA 55 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 4tss s PHE 56 N -2.89 3.55 0.18 0.00 0.08 -1.26 -5.09 117.98 112.55 4tss s PHE 56 Ca 0.40 0.56 0.00 0.00 0.12 0.00 0.00 56.93 58.01 4tss s PHE 56 Cb 0.17 -2.10 -0.04 0.00 -0.57 0.00 0.00 43.02 40.48 4tss s PHE 56 CO -0.03 0.55 0.35 0.95 -0.10 0.00 0.00 175.22 176.94 4tss s THR 57 N -0.50 5.25 -0.41 0.64 -4.23 -1.26 -4.72 115.64 110.41 4tss s THR 57 Ca 0.15 -0.46 -0.39 0.00 -1.18 0.00 0.00 61.69 59.81 4tss s THR 57 Cb -0.13 -3.73 -0.15 0.00 1.34 0.00 0.00 72.50 69.84 4tss s THR 57 CO 0.04 -0.13 2.17 1.17 -0.54 0.00 0.00 174.62 177.32 4tss n LYS 58 N -0.58 0.61 0.00 3.99 4.81 -1.26 -1.09 118.16 124.64 4tss n LYS 58 Ca -0.05 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 4tss n LYS 58 Cb 0.54 -2.05 0.00 0.00 0.02 0.00 0.00 35.03 33.54 4tss n LYS 58 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 4tss n GLY 59 N 6.96 3.15 3.30 3.14 0.00 -1.21 -4.99 105.19 115.54 4tss n GLY 59 Ca 0.47 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 4tss n GLY 59 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 4tss n GLU 60 N 0.00 -0.86 -3.69 1.61 -0.58 -0.25 -4.69 120.64 112.19 4tss n GLU 60 Ca 0.00 -0.23 -0.38 0.00 -0.42 0.00 0.00 57.16 56.13 4tss n GLU 60 Cb 0.00 -1.68 -0.10 0.00 -0.57 0.00 0.00 31.44 29.08 4tss n GLU 60 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 4tss s LYS 61 N -3.35 2.24 0.30 3.49 -0.14 -1.26 -3.69 119.74 117.33 4tss s LYS 61 Ca 0.54 -1.75 0.06 0.00 -1.36 0.00 0.00 55.97 53.47 4tss s LYS 61 Cb -0.15 -3.71 -0.02 0.00 -1.68 0.00 0.00 37.83 32.27 4tss s LYS 61 CO 0.68 -1.09 0.40 0.14 -0.76 0.00 0.00 175.35 174.72 4tss s VAL 62 N 1.25 4.36 -0.04 3.17 -7.23 0.15 -4.24 120.40 117.82 4tss s VAL 62 Ca 0.06 -1.07 0.06 0.00 -1.81 0.00 0.00 61.98 59.22 4tss s VAL 62 Cb -0.24 -3.50 -0.01 0.00 0.56 0.00 0.00 36.38 33.18 4tss s VAL 62 CO -0.02 -0.22 -0.23 -1.81 -0.31 0.00 0.00 175.10 172.51 4tss s ASP 63 N -4.07 2.78 0.25 4.85 1.11 -1.02 -0.07 116.67 120.50 4tss s ASP 63 Ca 0.41 -0.45 0.08 0.00 0.18 0.00 0.00 52.55 52.77 4tss s ASP 63 Cb -0.09 -0.58 -0.04 0.00 1.07 0.00 0.00 42.92 43.28 4tss s ASP 63 CO 0.29 0.25 0.13 -0.76 1.18 0.00 0.00 175.17 176.26 4tss s LEU 64 N -0.28 3.62 -0.11 1.23 1.02 -1.06 -1.63 118.68 121.47 4tss s LEU 64 Ca 0.01 -0.37 0.04 0.00 0.02 0.00 0.00 54.13 53.83 4tss s LEU 64 Cb -0.11 -2.15 0.13 0.00 0.02 0.00 0.00 46.19 44.08 4tss s LEU 64 CO 0.02 -0.02 1.13 0.59 0.02 0.00 0.00 176.35 178.08 4tss n ASN 65 N -1.08 -1.09 -4.01 2.29 4.13 -1.26 -2.43 115.26 111.80 4tss n ASN 65 Ca -0.07 -1.98 -0.29 0.00 1.68 0.00 0.00 54.58 53.92 4tss n ASN 65 Cb 0.58 0.41 0.20 0.00 -1.54 0.00 0.00 39.78 39.43 4tss n ASN 65 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 4tss s THR 66 N 0.04 2.00 0.04 3.41 -1.32 -1.25 -4.66 115.64 113.89 4tss s THR 66 Ca 0.03 -0.06 0.05 0.00 -1.21 0.00 0.00 61.69 60.49 4tss s THR 66 Cb 0.14 -2.94 -0.02 0.00 -1.51 0.00 0.00 72.50 68.18 4tss s THR 66 CO -0.04 0.00 -0.14 -0.54 -2.21 0.00 0.00 174.62 171.69 4tss s LYS 67 N -5.89 0.94 0.06 7.08 1.02 -1.25 -1.23 119.74 120.48 4tss s LYS 67 Ca 0.76 -0.74 -0.29 0.00 0.02 0.00 0.00 55.97 55.72 4tss s LYS 67 Cb -0.02 -0.95 -0.05 0.00 -0.52 0.00 0.00 37.83 36.29 4tss s LYS 67 CO 0.53 0.24 0.91 1.03 -0.92 0.00 0.00 175.35 177.14 4tss s ARG 68 N -1.09 4.61 0.05 1.68 0.52 -1.26 -1.35 118.95 122.11 4tss s ARG 68 Ca 0.02 1.34 0.24 0.00 -0.52 0.00 0.00 55.73 56.81 4tss s ARG 68 Cb -0.08 -3.40 0.28 0.00 0.52 0.00 0.00 34.95 32.28 4tss s ARG 68 CO 0.01 0.16 1.24 0.25 0.02 0.00 0.00 175.30 176.98 4tss n THR 69 N 3.10 0.16 -3.59 0.02 -2.24 -0.84 -4.92 114.28 105.96 4tss n THR 69 Ca 0.02 -0.16 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 4tss n THR 69 Cb 0.50 0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.84 4tss n THR 69 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 4tss s LYS 70 N -3.11 1.08 0.75 -0.78 -2.85 -1.26 -5.12 119.74 108.44 4tss s LYS 70 Ca 0.07 -0.53 -0.15 0.00 -1.00 0.00 0.00 55.97 54.36 4tss s LYS 70 Cb 0.15 0.48 0.04 0.00 -2.06 0.00 0.00 37.83 36.45 4tss s LYS 70 CO 0.75 -0.42 1.21 1.63 0.10 0.00 0.00 175.35 178.62 4tss n LYS 71 N -0.04 0.53 -1.53 1.78 5.02 -1.26 -4.68 118.16 117.98 4tss n LYS 71 Ca -0.17 0.25 -0.29 0.00 -2.02 0.00 0.00 58.31 56.08 4tss n LYS 71 Cb 0.63 -2.45 0.16 0.00 -0.02 0.00 0.00 35.03 33.35 4tss n LYS 71 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 4tss s SER 72 N -1.82 3.09 0.16 4.39 0.01 -1.26 -4.89 113.70 113.38 4tss s SER 72 Ca 0.77 0.81 0.11 0.00 1.31 0.00 0.00 55.95 58.95 4tss s SER 72 Cb -0.33 -1.26 -0.04 0.00 0.21 0.00 0.00 66.02 64.60 4tss s SER 72 CO 0.47 -2.80 -0.25 -1.10 0.41 0.00 0.00 173.24 169.98 4tss s GLN 73 N -5.39 1.49 -0.21 12.44 -1.52 -1.10 -5.02 119.66 120.34 4tss s GLN 73 Ca 0.66 -1.42 -0.01 0.00 -1.95 0.00 0.00 55.36 52.64 4tss s GLN 73 Cb -0.12 -1.89 0.06 0.00 -0.22 0.00 0.00 33.01 30.83 4tss s GLN 73 CO 0.54 0.43 -0.02 -1.58 -0.25 0.00 0.00 175.29 174.40 4tss s HIS 74 N -1.36 1.82 0.39 0.91 2.46 -1.26 -2.52 115.29 115.72 4tss s HIS 74 Ca 0.17 -1.35 -0.24 0.00 0.47 0.00 0.00 55.06 54.12 4tss s HIS 74 Cb -0.09 -1.35 -0.10 0.00 -0.13 0.00 0.00 32.58 30.91 4tss s HIS 74 CO 0.08 -0.70 0.99 0.95 -2.47 0.00 0.00 174.74 173.59 4tss s THR 75 N 1.59 4.07 -1.07 0.89 -4.23 -1.21 -4.91 115.64 110.77 4tss s THR 75 Ca -0.03 1.52 -0.08 0.00 -1.18 0.00 0.00 61.69 61.92 4tss s THR 75 Cb -0.18 -3.76 -0.13 0.00 1.34 0.00 0.00 72.50 69.78 4tss s THR 75 CO -0.07 -0.05 3.13 -1.54 -0.54 0.00 0.00 174.62 175.56 4tss n SER 76 N -0.06 7.58 0.00 3.99 3.41 -1.26 -2.35 113.62 124.93 4tss n SER 76 Ca 0.05 -2.59 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 4tss n SER 76 Cb 0.51 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 4tss n SER 76 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 4tss n GLU 77 N 3.06 0.00 -1.90 4.33 2.13 -1.26 -5.09 120.64 121.90 4tss n GLU 77 Ca 0.66 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.47 4tss n GLU 77 Cb 0.45 -0.20 0.00 0.00 0.27 0.00 0.00 31.44 31.97 4tss n GLU 77 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 4tss n GLY 78 N 0.00 -0.64 3.51 8.31 0.00 -0.99 -5.10 105.19 110.29 4tss n GLY 78 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 46.02 46.08 4tss n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 4tss s THR 79 N -2.54 -0.53 -0.31 2.61 -4.23 -1.26 -5.05 115.64 104.33 4tss s THR 79 Ca 0.02 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.36 4tss s THR 79 Cb -0.01 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.82 4tss s THR 79 CO 0.20 0.00 0.48 -0.47 -0.54 0.00 0.00 174.62 174.30 4tss s TYR 80 N 2.36 3.22 -0.36 3.99 5.04 -1.26 -3.29 117.35 127.05 4tss s TYR 80 Ca -0.05 0.37 -0.12 0.00 -2.44 0.00 0.00 57.07 54.83 4tss s TYR 80 Cb -0.07 -2.79 0.00 0.00 0.35 0.00 0.00 41.96 39.46 4tss s TYR 80 CO -0.18 -0.40 0.23 0.42 -1.34 0.00 0.00 175.55 174.29 4tss s ILE 81 N 2.30 4.97 0.55 3.14 1.01 -1.05 -0.95 121.20 131.17 4tss s ILE 81 Ca 0.19 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.28 4tss s ILE 81 Cb -0.16 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.67 4tss s ILE 81 CO 0.11 -0.12 0.83 -1.00 0.00 0.00 0.00 174.94 174.76 4tss s HIS 82 N 1.65 3.20 -0.29 3.97 3.76 0.04 -2.70 115.29 124.91 4tss s HIS 82 Ca 0.05 0.46 -0.02 0.00 -0.15 0.00 0.00 55.06 55.40 4tss s HIS 82 Cb -0.18 -2.63 0.10 0.00 1.11 0.00 0.00 32.58 30.97 4tss s HIS 82 CO 0.09 -0.72 0.10 -0.06 -0.85 0.00 0.00 174.74 173.30 4tss s PHE 83 N -2.86 1.34 0.11 1.40 0.08 -1.26 -1.77 117.98 115.02 4tss s PHE 83 Ca 0.53 -1.46 0.06 0.00 0.12 0.00 0.00 56.93 56.17 4tss s PHE 83 Cb -0.10 -1.47 -0.04 0.00 -0.57 0.00 0.00 43.02 40.84 4tss s PHE 83 CO 0.42 -0.84 -0.15 -0.65 -0.10 0.00 0.00 175.22 173.91 4tss s GLN 84 N 1.75 0.99 -0.17 0.44 -0.21 -1.11 -1.99 119.66 119.35 4tss s GLN 84 Ca 0.08 -1.17 -0.03 0.00 0.02 0.00 0.00 55.36 54.26 4tss s GLN 84 Cb -0.17 -0.93 -0.02 0.00 1.00 0.00 0.00 33.01 32.89 4tss s GLN 84 CO -0.26 0.19 -0.05 -1.50 -2.12 0.00 0.00 175.29 171.55 4tss s ILE 85 N -1.85 3.66 0.11 1.08 2.07 -0.46 -2.57 121.20 123.25 4tss s ILE 85 Ca 0.06 -0.43 0.00 0.00 -1.41 0.00 0.00 60.65 58.87 4tss s ILE 85 Cb -0.07 -2.62 0.00 0.00 0.13 0.00 0.00 42.46 39.91 4tss s ILE 85 CO 0.03 0.47 0.00 -0.24 -1.91 0.00 0.00 174.94 173.29 4tss n SER 86 N 3.88 -1.63 0.00 4.50 2.88 -0.92 -3.88 113.62 118.45 4tss n SER 86 Ca -0.18 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 4tss n SER 86 Cb 0.52 -2.16 0.00 0.00 -0.75 0.00 0.00 64.21 61.82 4tss n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 4tss n GLY 87 N -2.81 1.19 3.47 0.46 0.00 -1.26 -4.06 105.19 102.17 4tss n GLY 87 Ca -0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.54 4tss n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 4tss n VAL 88 N 0.00 1.92 -3.53 1.61 0.31 -1.26 -4.27 118.33 113.11 4tss n VAL 88 Ca 0.00 -0.48 -0.06 0.00 -0.01 0.00 0.00 64.34 63.79 4tss n VAL 88 Cb 0.00 -0.33 0.01 0.00 -0.91 0.00 0.00 33.84 32.61 4tss n VAL 88 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 4tss n THR 89 N 0.15 0.00 -4.00 2.52 -2.24 -0.64 -4.90 114.28 105.17 4tss n THR 89 Ca 0.15 -0.65 -0.25 0.00 -2.27 0.00 0.00 64.05 61.03 4tss n THR 89 Cb 0.27 0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 69.03 4tss n THR 89 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 4tss s ASN 90 N -2.18 6.06 0.00 3.42 2.20 -1.26 -2.44 114.94 120.74 4tss s ASN 90 Ca 0.11 0.05 0.00 0.00 -0.94 0.00 0.00 52.86 52.08 4tss s ASN 90 Cb -0.02 -1.74 0.00 0.00 -2.00 0.00 0.00 41.25 37.48 4tss s ASN 90 CO 0.08 0.04 1.10 0.35 -2.94 0.00 0.00 177.10 175.72 4tss n THR 91 N -0.61 1.10 -3.07 0.54 -2.24 -1.26 -4.78 114.28 103.95 4tss n THR 91 Ca -0.08 -0.08 -0.40 0.00 -2.27 0.00 0.00 64.05 61.22 4tss n THR 91 Cb 0.55 -1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 67.67 4tss n THR 91 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 4tss s GLU 92 N 0.07 4.28 0.27 -0.78 2.02 -1.26 -5.04 118.70 118.26 4tss s GLU 92 Ca 0.00 0.73 0.11 0.00 0.02 0.00 0.00 54.97 55.83 4tss s GLU 92 Cb 0.00 -3.55 -0.05 0.00 0.10 0.00 0.00 34.13 30.64 4tss s GLU 92 CO 0.00 -0.18 -0.10 0.15 0.02 0.00 0.00 175.26 175.15 4tss s LYS 93 N 1.70 1.99 0.06 1.61 -0.14 -1.26 -2.57 119.74 121.12 4tss s LYS 93 Ca 0.32 -1.59 -0.07 0.00 -1.36 0.00 0.00 55.97 53.27 4tss s LYS 93 Cb -0.16 -1.97 -0.05 0.00 -1.68 0.00 0.00 37.83 33.97 4tss s LYS 93 CO 0.12 0.35 0.34 -0.51 -0.76 0.00 0.00 175.35 174.89 4tss s LEU 94 N -3.58 4.34 0.43 3.17 1.43 -1.03 -4.84 118.68 118.60 4tss s LEU 94 Ca 0.31 0.65 0.22 0.00 -1.03 0.00 0.00 54.13 54.28 4tss s LEU 94 Cb -0.06 -2.91 1.21 0.00 0.03 0.00 0.00 46.19 44.46 4tss s LEU 94 CO 0.17 0.18 1.78 1.55 0.23 0.00 0.00 176.35 180.27 4tss h PRO 95 N 3.65 0.29 -1.89 1.29 0.13 -2.00 -3.37 132.00 130.09 4tss h PRO 95 Ca -0.49 -0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 64.45 4tss h PRO 95 Cb 1.19 -0.07 -0.30 0.00 0.13 0.00 0.00 31.00 31.95 4tss h PRO 95 CO 0.68 0.19 -0.50 0.95 -0.23 0.00 0.00 178.00 179.09 4tss s THR 96 N -5.37 -0.59 0.41 1.56 -4.23 -1.26 -5.16 115.64 101.00 4tss s THR 96 Ca -0.08 -0.14 -0.16 0.00 -1.18 0.00 0.00 61.69 60.14 4tss s THR 96 Cb 0.25 -0.85 -0.13 0.00 1.34 0.00 0.00 72.50 73.11 4tss s THR 96 CO 0.80 -0.18 -0.07 -0.81 -0.54 0.00 0.00 174.62 173.82 4tss n PRO 97 N 5.36 0.00 -4.43 3.99 -0.04 -1.26 -5.04 135.00 133.57 4tss n PRO 97 Ca -0.03 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.22 4tss n PRO 97 Cb 0.50 -0.84 -0.10 0.00 -0.04 0.00 0.00 33.50 33.02 4tss n PRO 97 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 4tss s ILE 98 N -1.63 1.65 -0.26 0.52 -4.36 -0.24 -4.95 121.20 111.93 4tss s ILE 98 Ca 0.48 -2.13 0.01 0.00 -0.26 0.00 0.00 60.65 58.75 4tss s ILE 98 Cb -0.44 -2.45 0.05 0.00 1.25 0.00 0.00 42.46 40.87 4tss s ILE 98 CO 0.55 -0.30 -0.08 -0.70 0.24 0.00 0.00 174.94 174.65 4tss s GLU 99 N -3.73 2.44 0.02 0.37 2.12 -1.26 -0.86 118.70 117.81 4tss s GLU 99 Ca 0.30 -1.23 -0.35 0.00 0.36 0.00 0.00 54.97 54.05 4tss s GLU 99 Cb 0.04 -2.97 -0.14 0.00 0.26 0.00 0.00 34.13 31.32 4tss s GLU 99 CO 0.12 -0.53 1.67 1.28 -0.54 0.00 0.00 175.26 177.26 4tss n LEU 100 N 4.54 2.99 -4.64 2.70 4.77 -1.26 -4.91 117.00 121.19 4tss n LEU 100 Ca -0.15 1.05 -0.43 0.00 -0.03 0.00 0.00 56.01 56.45 4tss n LEU 100 Cb 0.44 -1.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.15 4tss n LEU 100 CO 0.24 -0.31 1.39 -2.16 -1.33 0.00 0.00 177.39 175.23 4tss s PRO 101 N 2.24 3.88 0.11 3.23 0.04 -1.26 -4.97 135.00 138.27 4tss s PRO 101 Ca 0.86 1.84 0.08 0.00 0.04 0.00 0.00 61.00 63.82 4tss s PRO 101 Cb -0.75 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 29.72 4tss s PRO 101 CO 0.46 -1.20 -0.20 -1.17 0.04 0.00 0.00 177.00 174.93 4tss s LEU 102 N 5.01 2.32 -0.35 -3.56 2.96 -1.26 -1.33 118.68 122.48 4tss s LEU 102 Ca 0.74 -0.71 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 4tss s LEU 102 Cb -0.28 -0.84 0.16 0.00 0.50 0.00 0.00 46.19 45.74 4tss s LEU 102 CO 0.30 0.03 0.45 -1.59 -1.32 0.00 0.00 176.35 174.21 4tss s LYS 103 N -2.06 0.59 0.27 1.98 0.00 -1.22 -4.98 119.74 114.32 4tss s LYS 103 Ca 0.07 -0.32 -0.29 0.00 0.00 0.00 0.00 55.97 55.43 4tss s LYS 103 Cb -0.09 -0.36 -0.10 0.00 0.00 0.00 0.00 37.83 37.28 4tss s LYS 103 CO 0.04 -1.13 1.31 0.08 0.00 0.00 0.00 175.35 175.65 4tss s VAL 104 N 1.98 2.93 -0.06 1.79 1.01 -1.26 -3.09 120.40 123.70 4tss s VAL 104 Ca 0.14 0.85 0.03 0.00 0.00 0.00 0.00 61.98 63.00 4tss s VAL 104 Cb -0.12 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.73 4tss s VAL 104 CO -0.15 0.17 -0.16 -0.54 0.00 0.00 0.00 175.10 174.42 4tss s LYS 105 N -1.01 1.90 -0.30 2.72 1.02 -0.17 -2.29 119.74 121.62 4tss s LYS 105 Ca 0.53 -0.55 -0.01 0.00 0.02 0.00 0.00 55.97 55.96 4tss s LYS 105 Cb -0.38 -1.57 0.05 0.00 -0.52 0.00 0.00 37.83 35.41 4tss s LYS 105 CO 0.46 0.13 -0.01 0.08 -0.92 0.00 0.00 175.35 175.08 4tss s VAL 106 N 0.38 2.88 -1.39 3.17 1.01 -1.20 0.08 120.40 125.33 4tss s VAL 106 Ca -0.11 -1.43 -0.15 0.00 0.00 0.00 0.00 61.98 60.29 4tss s VAL 106 Cb -0.14 -2.67 0.15 0.00 0.00 0.00 0.00 36.38 33.72 4tss s VAL 106 CO 0.04 -0.11 0.36 1.41 0.00 0.00 0.00 175.10 176.81 4tss n HIS 107 N 4.59 -0.90 0.00 5.22 8.25 -1.15 -2.68 115.22 128.56 4tss n HIS 107 Ca -0.13 0.51 0.00 0.00 -0.26 0.00 0.00 57.72 57.84 4tss n HIS 107 Cb 0.43 -1.56 0.00 0.00 1.12 0.00 0.00 29.99 29.98 4tss n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 4tss n GLY 108 N -1.18 2.91 3.73 -1.41 0.00 -1.26 -5.08 105.19 102.90 4tss n GLY 108 Ca 0.02 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 4tss n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4tss s LYS 109 N 0.00 4.62 0.19 1.61 -0.14 -1.09 -4.97 119.74 119.96 4tss s LYS 109 Ca 0.00 1.64 -0.33 0.00 -1.36 0.00 0.00 55.97 55.92 4tss s LYS 109 Cb 0.00 -3.31 -0.13 0.00 -1.68 0.00 0.00 37.83 32.71 4tss s LYS 109 CO 0.00 0.11 1.61 -0.25 -0.76 0.00 0.00 175.35 176.06 4tss n ASP 110 N 2.53 3.37 -4.37 2.83 9.92 -1.26 -3.21 116.55 126.36 4tss n ASP 110 Ca 0.03 1.08 -0.36 0.00 -0.53 0.00 0.00 54.79 55.01 4tss n ASP 110 Cb 0.47 -1.48 -0.13 0.00 -0.64 0.00 0.00 41.12 39.34 4tss n ASP 110 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 4tss s SER 111 N 0.93 4.71 0.65 -2.24 0.15 -0.97 -4.92 113.70 112.01 4tss s SER 111 Ca 0.76 -0.34 -0.12 0.00 0.70 0.00 0.00 55.95 56.96 4tss s SER 111 Cb -0.62 -1.83 -0.02 0.00 -1.71 0.00 0.00 66.02 61.85 4tss s SER 111 CO 0.37 -0.04 1.05 -2.84 1.20 0.00 0.00 173.24 172.98 4tss s PRO 112 N 1.54 3.23 0.35 5.44 0.02 -1.26 -4.05 135.00 140.27 4tss s PRO 112 Ca 0.06 0.95 -0.11 0.00 0.02 0.00 0.00 61.00 61.92 4tss s PRO 112 Cb -0.15 -2.03 -0.07 0.00 0.02 0.00 0.00 34.50 32.27 4tss s PRO 112 CO 0.00 -0.86 0.71 -0.51 -0.33 0.00 0.00 177.00 176.01 4tss s LEU 113 N -5.18 3.95 -0.26 -5.54 1.43 -1.26 -4.99 118.68 106.83 4tss s LEU 113 Ca 0.58 1.09 -0.04 0.00 -1.03 0.00 0.00 54.13 54.74 4tss s LEU 113 Cb -0.13 -3.94 0.09 0.00 0.03 0.00 0.00 46.19 42.24 4tss s LEU 113 CO 0.50 -0.30 0.12 -0.54 0.23 0.00 0.00 176.35 176.36 4tss s LYS 114 N -3.50 0.19 -0.84 1.70 1.02 -1.26 -4.94 119.74 112.10 4tss s LYS 114 Ca 0.51 -0.45 -0.01 0.00 0.02 0.00 0.00 55.97 56.05 4tss s LYS 114 Cb -0.10 -1.36 -0.01 0.00 -0.52 0.00 0.00 37.83 35.84 4tss s LYS 114 CO 0.27 -0.93 0.71 0.66 -0.92 0.00 0.00 175.35 175.13 4tss n TYR 115 N 5.24 -1.59 -3.24 3.18 4.01 -1.26 -4.86 117.16 118.65 4tss n TYR 115 Ca -0.06 0.66 -0.43 0.00 -0.16 0.00 0.00 57.90 57.91 4tss n TYR 115 Cb 0.44 -4.14 -0.08 0.00 -0.31 0.00 0.00 39.34 35.25 4tss n TYR 115 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 4tss s TRP 116 N -3.26 3.13 0.27 -0.72 -0.11 -1.26 -5.04 118.94 111.95 4tss s TRP 116 Ca 0.04 -0.28 -0.07 0.00 1.22 0.00 0.00 56.10 57.00 4tss s TRP 116 Cb -0.01 -3.09 -0.05 0.00 -1.50 0.00 0.00 33.47 28.82 4tss s TRP 116 CO 0.52 -0.78 -0.39 -2.30 -4.62 0.00 0.00 176.95 169.38 4tss n PRO 117 N 5.86 0.00 -4.02 5.86 -0.02 -1.26 -5.02 135.00 136.40 4tss n PRO 117 Ca -0.05 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.11 4tss n PRO 117 Cb 0.47 -0.27 -0.15 0.00 -0.02 0.00 0.00 33.50 33.53 4tss n PRO 117 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 4tss s LYS 118 N -0.54 1.92 0.26 -0.52 -0.14 -1.26 -4.77 119.74 114.68 4tss s LYS 118 Ca 0.10 -1.32 -0.26 0.00 -1.36 0.00 0.00 55.97 53.12 4tss s LYS 118 Cb 0.02 -2.83 -0.09 0.00 -1.68 0.00 0.00 37.83 33.24 4tss s LYS 118 CO 0.19 -0.64 0.89 -0.06 -0.76 0.00 0.00 175.35 174.96 4tss s PHE 119 N 1.16 3.80 0.00 3.18 0.08 -0.04 -4.88 117.98 121.29 4tss s PHE 119 Ca -0.05 1.75 0.00 0.00 0.12 0.00 0.00 56.93 58.75 4tss s PHE 119 Cb -0.19 -2.88 0.00 0.00 -0.57 0.00 0.00 43.02 39.38 4tss s PHE 119 CO -0.06 0.34 0.69 -0.40 -0.10 0.00 0.00 175.22 175.68 4tss n ASP 120 N 0.99 1.22 -4.98 1.36 5.75 -1.26 -1.08 116.55 118.54 4tss n ASP 120 Ca -0.01 -1.47 -0.19 0.00 -0.01 0.00 0.00 54.79 53.12 4tss n ASP 120 Cb 0.49 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.58 4tss n ASP 120 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 4tss s LYS 121 N -0.47 3.01 -0.13 0.11 1.02 -1.26 -2.47 119.74 119.55 4tss s LYS 121 Ca 0.00 -1.10 -0.11 0.00 0.02 0.00 0.00 55.97 54.78 4tss s LYS 121 Cb 0.00 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.50 4tss s LYS 121 CO 0.00 -0.02 -0.21 1.17 -0.92 0.00 0.00 175.35 175.37 4tss n LYS 122 N -1.67 0.40 -3.12 1.68 4.81 -1.06 -4.64 118.16 114.57 4tss n LYS 122 Ca 0.02 0.34 -0.45 0.00 -0.87 0.00 0.00 58.31 57.34 4tss n LYS 122 Cb 0.58 -1.41 -0.04 0.00 0.02 0.00 0.00 35.03 34.19 4tss n LYS 122 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 4tss s GLN 123 N -2.28 3.25 -0.32 1.64 -2.07 -1.25 0.43 119.66 119.05 4tss s GLN 123 Ca -0.18 -1.61 -0.12 0.00 -1.82 0.00 0.00 55.36 51.63 4tss s GLN 123 Cb 0.02 -4.42 -0.03 0.00 -1.09 0.00 0.00 33.01 27.50 4tss s GLN 123 CO 0.26 -1.54 0.23 -0.51 -1.32 0.00 0.00 175.29 172.41 4tss s LEU 124 N 2.24 4.34 0.28 2.60 1.43 -0.06 -4.73 118.68 124.78 4tss s LEU 124 Ca 0.16 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.71 4tss s LEU 124 Cb -0.18 -2.15 -0.14 0.00 0.03 0.00 0.00 46.19 43.75 4tss s LEU 124 CO 0.01 -0.18 1.16 0.00 0.23 0.00 0.00 176.35 177.57 4tss n ALA 125 N 5.11 0.26 0.30 4.21 0.00 -1.26 -3.23 120.51 125.90 4tss n ALA 125 Ca -0.13 0.40 0.19 0.00 0.00 0.00 0.00 53.44 53.90 4tss n ALA 125 Cb 0.50 -2.12 1.00 0.00 0.00 0.00 0.00 19.45 18.84 4tss n ALA 125 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 4tss h ILE 126 N 2.38 0.00 -0.35 0.00 1.08 -1.87 -0.47 117.51 118.29 4tss h ILE 126 Ca -0.42 -0.08 -0.04 0.00 -0.39 0.00 0.00 64.86 63.92 4tss h ILE 126 Cb 1.32 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 36.03 4tss h ILE 126 CO 0.65 0.00 0.07 0.77 -0.69 0.00 0.00 178.15 178.94 4tss h SER 127 N 0.00 0.54 0.67 1.72 4.64 -1.93 -1.69 113.55 117.50 4tss h SER 127 Ca 0.00 -0.25 -0.03 0.00 -0.47 0.00 0.00 61.79 61.04 4tss h SER 127 Cb 0.09 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 62.04 4tss h SER 127 CO 0.00 0.65 -0.32 0.74 -0.87 0.00 0.00 176.83 177.03 4tss h THR 128 N 0.41 0.32 -0.13 2.95 2.02 -1.40 -1.04 112.91 116.03 4tss h THR 128 Ca 0.11 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.23 4tss h THR 128 Cb 0.34 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 4tss h THR 128 CO 0.00 0.01 0.14 -0.07 0.37 0.00 0.00 175.52 175.97 4tss h LEU 129 N -0.96 0.00 0.33 2.58 3.38 -1.36 0.06 115.31 119.34 4tss h LEU 129 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 4tss h LEU 129 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 4tss h LEU 129 CO 0.15 0.00 -0.16 -0.78 0.09 0.00 0.00 178.44 177.74 4tss h ASP 130 N 0.00 -0.37 -0.84 -0.43 3.58 -0.94 -2.92 116.42 114.49 4tss h ASP 130 Ca 0.06 -0.01 0.21 0.00 0.42 0.00 0.00 57.03 57.71 4tss h ASP 130 Cb 0.34 0.10 -0.13 0.00 1.72 0.00 0.00 39.33 41.36 4tss h ASP 130 CO -0.00 0.08 0.27 0.15 -2.88 0.00 0.00 179.24 176.86 4tss h PHE 131 N -1.11 0.43 0.00 0.28 3.57 -0.50 -0.72 116.94 118.89 4tss h PHE 131 Ca -0.05 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.50 4tss h PHE 131 Cb 0.36 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.04 4tss h PHE 131 CO 0.01 -0.12 0.00 -1.91 -2.23 0.00 0.00 178.31 174.06 4tss n GLU 132 N -5.14 0.00 -0.25 1.11 4.07 -0.06 -0.40 120.64 119.97 4tss n GLU 132 Ca 0.19 0.62 -0.03 0.00 -0.06 0.00 0.00 57.16 57.88 4tss n GLU 132 Cb 0.61 -1.47 0.03 0.00 -0.06 0.00 0.00 31.44 30.55 4tss n GLU 132 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 4tss h ILE 133 N 0.00 0.16 0.00 6.31 2.04 -1.25 0.24 117.51 125.01 4tss h ILE 133 Ca 0.00 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 4tss h ILE 133 Cb 0.00 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 4tss h ILE 133 CO 0.00 0.00 -0.27 0.03 0.00 0.00 0.00 178.15 177.91 4tss h ARG 134 N -0.09 0.00 -0.08 2.37 3.08 -1.13 -1.03 114.38 117.50 4tss h ARG 134 Ca 0.29 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.30 4tss h ARG 134 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 4tss h ARG 134 CO -0.76 0.27 -0.11 1.25 -1.07 0.00 0.00 179.97 179.56 4tss h HIS 135 N 0.00 0.26 0.00 3.04 2.76 0.22 0.13 115.15 121.56 4tss h HIS 135 Ca -0.00 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 4tss h HIS 135 Cb 0.67 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.58 4tss h HIS 135 CO 0.00 0.68 0.00 0.37 -1.30 0.00 0.00 177.93 177.68 4tss h GLN 136 N -0.24 0.00 0.00 5.26 5.75 -0.83 -2.42 115.11 122.63 4tss h GLN 136 Ca 0.01 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.43 4tss h GLN 136 Cb 0.65 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.19 4tss h GLN 136 CO 0.02 0.00 -0.51 -0.07 -2.65 0.00 0.00 178.83 175.63 4tss h LEU 137 N 0.00 0.00 -1.51 -2.39 3.38 -0.61 -3.15 115.31 111.03 4tss h LEU 137 Ca 0.00 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.38 4tss h LEU 137 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 4tss h LEU 137 CO 0.00 1.09 0.00 0.71 0.09 0.00 0.00 178.44 180.33 4tss h THR 138 N -1.00 0.00 0.00 0.22 1.35 -0.72 -0.25 112.91 112.51 4tss h THR 138 Ca -0.13 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 4tss h THR 138 Cb 0.93 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 4tss h THR 138 CO -0.08 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.19 4tss n GLN 139 N -2.57 0.00 -0.25 4.72 3.00 -0.91 -4.20 117.38 117.17 4tss n GLN 139 Ca -0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 4tss n GLN 139 Cb 0.15 -0.10 0.05 0.00 0.00 0.00 0.00 30.24 30.34 4tss n GLN 139 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 4tss h ILE 140 N 0.00 1.24 -0.19 5.09 5.03 -1.70 -3.11 117.51 123.87 4tss h ILE 140 Ca 0.00 -0.76 0.00 0.00 -0.12 0.00 0.00 64.86 63.98 4tss h ILE 140 Cb 0.00 0.45 0.00 0.00 -3.03 0.00 0.00 36.82 34.24 4tss h ILE 140 CO 0.00 0.31 0.00 1.41 -0.68 0.00 0.00 178.15 179.19 4tss n HIS 141 N -4.38 0.24 -3.24 1.37 8.25 -1.05 -5.01 115.22 111.40 4tss n HIS 141 Ca 0.05 -0.12 -0.20 0.00 -0.26 0.00 0.00 57.72 57.20 4tss n HIS 141 Cb 0.17 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.30 4tss n HIS 141 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 4tss n GLY 142 N 1.30 -0.55 3.68 -1.41 0.00 -0.13 -4.94 105.19 103.13 4tss n GLY 142 Ca 0.17 0.80 -0.23 0.00 0.00 0.00 0.00 46.02 46.76 4tss n GLY 142 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 4tss s LEU 143 N -2.00 3.28 -0.77 0.99 2.96 -1.07 -4.52 118.68 117.55 4tss s LEU 143 Ca 0.22 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 4tss s LEU 143 Cb -0.03 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.87 4tss s LEU 143 CO 0.61 -0.04 0.00 -1.22 -1.32 0.00 0.00 176.35 174.38 4tss n TYR 144 N -0.96 -0.25 -0.01 5.38 4.01 -0.72 -4.61 117.16 120.00 4tss n TYR 144 Ca -0.06 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.72 4tss n TYR 144 Cb 0.59 -2.01 -0.08 0.00 -0.31 0.00 0.00 39.34 37.53 4tss n TYR 144 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 4tss n ARG 145 N -0.84 0.65 -4.11 -0.72 1.74 -1.26 -4.79 116.66 107.33 4tss n ARG 145 Ca -0.07 -0.08 -0.15 0.00 -0.77 0.00 0.00 57.85 56.78 4tss n ARG 145 Cb 0.36 -1.26 -0.12 0.00 -1.02 0.00 0.00 32.46 30.42 4tss n ARG 145 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 4tss s SER 146 N -3.40 1.02 0.17 0.55 1.04 -1.26 -5.03 113.70 106.78 4tss s SER 146 Ca -0.04 -0.51 -0.15 0.00 0.48 0.00 0.00 55.95 55.72 4tss s SER 146 Cb 0.06 0.00 0.14 0.00 0.10 0.00 0.00 66.02 66.32 4tss s SER 146 CO 0.44 -0.14 1.69 0.77 0.98 0.00 0.00 173.24 176.98 4tss h SER 147 N 4.63 -0.17 -1.13 7.02 4.64 -1.95 0.45 113.55 127.03 4tss h SER 147 Ca -0.36 0.10 0.32 0.00 -0.47 0.00 0.00 61.79 61.38 4tss h SER 147 Cb 1.20 0.17 -0.10 0.00 -0.31 0.00 0.00 62.40 63.36 4tss h SER 147 CO 0.42 -0.05 0.74 -0.78 -0.87 0.00 0.00 176.83 176.29 4tss h ASP 148 N 0.12 0.34 -2.56 4.97 1.82 -1.99 -3.09 116.42 116.03 4tss h ASP 148 Ca 0.21 0.09 -0.62 0.00 -0.39 0.00 0.00 57.03 56.32 4tss h ASP 148 Cb 0.31 0.04 -0.41 0.00 0.68 0.00 0.00 39.33 39.95 4tss h ASP 148 CO -0.35 0.00 -0.47 0.29 -1.61 0.00 0.00 179.24 177.10 4tss n LYS 149 N -4.59 2.46 0.00 0.28 5.02 0.15 -4.81 118.16 116.66 4tss n LYS 149 Ca 0.29 -4.61 0.05 0.00 -2.02 0.00 0.00 58.31 52.02 4tss n LYS 149 Cb 1.07 -2.29 0.02 0.00 -0.02 0.00 0.00 35.03 33.81 4tss n LYS 149 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 4tss n THR 150 N 1.28 0.00 -3.63 -0.18 -2.24 -1.17 -1.76 114.28 106.58 4tss n THR 150 Ca 0.26 -0.45 -0.03 0.00 -2.27 0.00 0.00 64.05 61.56 4tss n THR 150 Cb 0.39 1.17 -0.01 0.00 -2.10 0.00 0.00 70.33 69.78 4tss n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 4tss n GLY 151 N 0.74 2.83 0.00 3.38 0.00 -1.20 -4.50 105.19 106.44 4tss n GLY 151 Ca 0.05 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.67 4tss n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4tss n GLY 152 N -0.12 0.80 3.73 -0.02 0.00 -1.09 0.17 105.19 108.66 4tss n GLY 152 Ca -0.00 -2.02 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 4tss n GLY 152 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 4tss s TYR 153 N -1.89 0.20 0.11 1.61 1.13 -0.72 -2.18 117.35 115.62 4tss s TYR 153 Ca 0.00 -0.67 -0.00 0.00 -1.41 0.00 0.00 57.07 54.99 4tss s TYR 153 Cb 0.00 0.52 -0.04 0.00 -1.10 0.00 0.00 41.96 41.34 4tss s TYR 153 CO 0.00 -1.27 0.00 1.67 -2.51 0.00 0.00 175.55 173.45 4tss s TRP 154 N -3.35 0.84 -0.25 -3.49 1.48 -1.11 -1.03 118.94 112.03 4tss s TRP 154 Ca 0.18 -1.10 -0.03 0.00 -1.06 0.00 0.00 56.10 54.09 4tss s TRP 154 Cb -0.04 -0.50 0.14 0.00 -1.16 0.00 0.00 33.47 31.91 4tss s TRP 154 CO 0.11 -0.36 0.45 0.21 -4.06 0.00 0.00 176.95 173.29 4tss s LYS 155 N -3.95 0.41 0.05 3.25 2.20 -0.39 -3.61 119.74 117.70 4tss s LYS 155 Ca 0.17 0.75 -0.25 0.00 -0.36 0.00 0.00 55.97 56.29 4tss s LYS 155 Cb 0.07 -0.07 -0.06 0.00 -1.51 0.00 0.00 37.83 36.26 4tss s LYS 155 CO -0.02 -0.57 0.75 0.42 -0.36 0.00 0.00 175.35 175.57 4tss s ILE 156 N 2.64 4.72 -0.26 5.43 1.01 -1.08 -1.31 121.20 132.35 4tss s ILE 156 Ca 0.12 1.60 -0.01 0.00 0.00 0.00 0.00 60.65 62.35 4tss s ILE 156 Cb -0.15 -4.10 0.08 0.00 0.01 0.00 0.00 42.46 38.31 4tss s ILE 156 CO -0.17 0.38 0.06 -0.89 0.00 0.00 0.00 174.94 174.32 4tss s THR 157 N -0.15 0.79 0.96 2.92 2.01 0.12 -2.02 115.64 120.26 4tss s THR 157 Ca 0.38 -1.05 -0.12 0.00 0.31 0.00 0.00 61.69 61.21 4tss s THR 157 Cb -0.20 -1.43 0.16 0.00 0.01 0.00 0.00 72.50 71.04 4tss s THR 157 CO 0.23 -0.44 1.09 -0.04 -0.69 0.00 0.00 174.62 174.76 4tss s MET 158 N 1.70 0.76 0.00 4.92 -1.94 -0.59 -0.95 119.30 123.20 4tss s MET 158 Ca 0.04 0.86 0.00 0.00 -1.71 0.00 0.00 55.69 54.88 4tss s MET 158 Cb -0.17 -1.75 0.00 0.00 2.01 0.00 0.00 34.83 34.92 4tss s MET 158 CO -0.17 -2.59 0.62 0.09 -0.01 0.00 0.00 175.02 172.96 4tss n ASN 159 N -4.13 1.80 -2.69 3.03 3.02 0.41 -2.59 115.26 114.11 4tss n ASN 159 Ca 0.07 -1.37 -0.06 0.00 -0.03 0.00 0.00 54.58 53.19 4tss n ASN 159 Cb 0.55 -0.34 0.08 0.00 -0.61 0.00 0.00 39.78 39.46 4tss n ASN 159 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 4tss n ASP 160 N 0.56 -1.66 0.00 6.41 5.68 -1.26 -5.02 116.55 121.26 4tss n ASP 160 Ca 0.00 -2.44 0.00 0.00 -0.50 0.00 0.00 54.79 51.85 4tss n ASP 160 Cb 0.31 1.30 0.00 0.00 -1.14 0.00 0.00 41.12 41.59 4tss n ASP 160 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 4tss n GLY 161 N -0.03 0.00 3.54 6.12 0.00 -1.07 -4.92 105.19 108.83 4tss n GLY 161 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 4tss n GLY 161 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 4tss n SER 162 N 0.00 0.23 -4.17 1.61 3.41 -1.26 -4.65 113.62 108.79 4tss n SER 162 Ca 0.00 0.97 -0.14 0.00 -0.26 0.00 0.00 58.87 59.45 4tss n SER 162 Cb 0.00 -1.24 -0.11 0.00 -0.26 0.00 0.00 64.21 62.60 4tss n SER 162 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 4tss s THR 163 N -1.36 0.86 0.11 6.66 -4.23 -1.26 -1.54 115.64 114.88 4tss s THR 163 Ca 0.64 -1.66 0.03 0.00 -1.18 0.00 0.00 61.69 59.53 4tss s THR 163 Cb -0.58 -1.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.85 4tss s THR 163 CO 0.57 -0.61 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.64 4tss s TYR 164 N -2.59 1.08 0.26 3.99 2.02 -0.86 -5.03 117.35 116.23 4tss s TYR 164 Ca 0.06 -0.76 -0.21 0.00 -0.37 0.00 0.00 57.07 55.78 4tss s TYR 164 Cb -0.02 -0.58 0.04 0.00 -0.40 0.00 0.00 41.96 41.00 4tss s TYR 164 CO -0.01 -0.01 0.82 -0.65 -1.57 0.00 0.00 175.55 174.13 4tss s GLN 165 N -3.42 1.70 -0.12 -0.62 -0.21 -1.26 -2.64 119.66 113.09 4tss s GLN 165 Ca 0.11 -0.99 -0.30 0.00 0.02 0.00 0.00 55.36 54.20 4tss s GLN 165 Cb 0.01 0.55 0.12 0.00 1.00 0.00 0.00 33.01 34.69 4tss s GLN 165 CO -0.01 -0.78 0.94 0.45 -2.12 0.00 0.00 175.29 173.77 4tss s SER 166 N -2.99 -0.40 -0.34 5.90 0.15 -1.24 -5.03 113.70 109.75 4tss s SER 166 Ca 0.13 0.36 -0.08 0.00 0.70 0.00 0.00 55.95 57.06 4tss s SER 166 Cb -0.04 0.34 0.03 0.00 -1.71 0.00 0.00 66.02 64.64 4tss s SER 166 CO 0.07 -0.42 0.13 -0.62 1.20 0.00 0.00 173.24 173.60 4tss s ASP 167 N -1.38 5.43 0.30 5.45 -1.08 -1.26 -2.73 116.67 121.40 4tss s ASP 167 Ca -0.01 -1.01 0.15 0.00 -0.52 0.00 0.00 52.55 51.16 4tss s ASP 167 Cb -0.01 -1.92 1.05 0.00 -1.46 0.00 0.00 42.92 40.58 4tss s ASP 167 CO 0.01 -0.32 1.30 0.18 0.52 0.00 0.00 175.17 176.86 4tss n LEU 168 N 4.88 0.24 0.00 -1.34 4.77 -0.92 -1.63 117.00 123.00 4tss n LEU 168 Ca -0.13 1.37 0.00 0.00 -0.03 0.00 0.00 56.01 57.23 4tss n LEU 168 Cb 0.46 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 4tss n LEU 168 CO 0.33 -1.52 0.43 -1.54 -1.33 0.00 0.00 177.39 173.76 4tss n SER 169 N -4.90 0.00 -4.02 -1.43 3.41 -1.26 -4.62 113.62 100.79 4tss n SER 169 Ca 0.30 0.34 -0.08 0.00 -0.26 0.00 0.00 58.87 59.17 4tss n SER 169 Cb 1.01 -0.34 -0.10 0.00 -0.26 0.00 0.00 64.21 64.52 4tss n SER 169 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 4tss s LYS 170 N -2.65 0.56 0.47 4.33 1.02 -0.65 -5.02 119.74 117.80 4tss s LYS 170 Ca 0.00 -0.99 -0.22 0.00 0.02 0.00 0.00 55.97 54.78 4tss s LYS 170 Cb 0.00 0.20 -0.07 0.00 -0.52 0.00 0.00 37.83 37.44 4tss s LYS 170 CO 0.00 -0.11 1.17 0.21 -0.92 0.00 0.00 175.35 175.70 4tss s LYS 171 N -3.14 3.68 0.06 1.68 2.20 -1.26 -4.79 119.74 118.16 4tss s LYS 171 Ca -0.00 1.78 -0.37 0.00 -0.36 0.00 0.00 55.97 57.02 4tss s LYS 171 Cb 0.02 -2.35 -0.17 0.00 -1.51 0.00 0.00 37.83 33.81 4tss s LYS 171 CO -0.07 -0.62 1.28 0.34 -0.36 0.00 0.00 175.35 175.92 4tss n PHE 172 N -0.61 1.32 -2.13 4.03 7.35 -1.26 -4.75 117.46 121.42 4tss n PHE 172 Ca 0.08 0.73 -0.33 0.00 -0.76 0.00 0.00 57.45 57.18 4tss n PHE 172 Cb 0.48 -2.28 -0.04 0.00 0.35 0.00 0.00 39.48 37.99 4tss n PHE 172 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 4tss s GLU 173 N 0.39 2.72 0.31 -4.13 2.12 -1.26 -4.74 118.70 114.11 4tss s GLU 173 Ca 0.86 -0.10 0.05 0.00 0.36 0.00 0.00 54.97 56.14 4tss s GLU 173 Cb -1.03 -4.84 0.52 0.00 0.26 0.00 0.00 34.13 29.05 4tss s GLU 173 CO 0.49 -2.99 1.78 1.88 -0.54 0.00 0.00 175.26 175.88 4tss h TYR 174 N 12.18 0.44 0.00 5.30 0.05 -2.02 -3.15 116.97 129.77 4tss h TYR 174 Ca -0.02 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.68 4tss h TYR 174 Cb 1.06 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.68 4tss h TYR 174 CO 1.17 0.59 0.00 0.27 -1.05 0.00 0.00 178.16 179.14 4tss n ASN 175 N -4.16 0.00 -0.27 3.88 0.23 -1.26 -3.18 115.26 110.50 4tss n ASN 175 Ca -0.00 -0.50 0.00 0.00 -0.53 0.00 0.00 54.58 53.55 4tss n ASN 175 Cb 0.36 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 4tss n ASN 175 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 4tss n THR 176 N -0.56 0.00 -2.40 5.53 -2.24 -1.19 -3.57 114.28 109.85 4tss n THR 176 Ca 0.01 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.38 4tss n THR 176 Cb 0.00 0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 4tss n THR 176 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 4tss s GLU 177 N 0.00 4.55 0.40 -0.78 -1.05 -1.19 -4.92 118.70 115.71 4tss s GLU 177 Ca 0.00 1.87 -0.13 0.00 -0.15 0.00 0.00 54.97 56.56 4tss s GLU 177 Cb 0.00 -3.21 -0.07 0.00 -0.44 0.00 0.00 34.13 30.41 4tss s GLU 177 CO 0.00 0.04 0.80 0.15 0.95 0.00 0.00 175.26 177.19 4tss s LYS 178 N -0.88 3.87 0.58 -4.83 1.02 -1.26 -3.29 119.74 114.94 4tss s LYS 178 Ca 0.49 0.60 -0.18 0.00 0.02 0.00 0.00 55.97 56.90 4tss s LYS 178 Cb -0.33 -2.35 -0.09 0.00 -0.52 0.00 0.00 37.83 34.54 4tss s LYS 178 CO 0.40 -0.03 0.47 -0.35 -0.92 0.00 0.00 175.35 174.92 4tss n PRO 179 N -1.12 0.45 -1.56 -1.68 -0.04 -1.26 -4.54 135.00 125.24 4tss n PRO 179 Ca 0.03 0.18 -0.49 0.00 -0.04 0.00 0.00 63.50 63.18 4tss n PRO 179 Cb 0.54 -1.66 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 4tss n PRO 179 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 4tss n PRO 180 N 0.01 1.04 -4.08 0.54 -0.04 -1.26 -4.79 135.00 126.42 4tss n PRO 180 Ca 0.11 0.37 -0.26 0.00 -0.04 0.00 0.00 63.50 63.69 4tss n PRO 180 Cb 0.48 -1.83 -0.05 0.00 -0.04 0.00 0.00 33.50 32.06 4tss n PRO 180 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 4tss s ILE 181 N -0.30 4.50 -0.68 0.52 -4.36 -1.20 -4.80 121.20 114.87 4tss s ILE 181 Ca 0.72 -1.12 -0.27 0.00 -0.26 0.00 0.00 60.65 59.72 4tss s ILE 181 Cb -0.87 -3.32 0.02 0.00 1.25 0.00 0.00 42.46 39.55 4tss s ILE 181 CO 0.53 -0.14 1.35 0.20 0.24 0.00 0.00 174.94 177.12 4tss s ASN 182 N -3.22 6.09 0.33 4.36 0.01 -1.25 -0.88 114.94 120.38 4tss s ASN 182 Ca 0.31 -0.20 0.16 0.00 -0.71 0.00 0.00 52.86 52.42 4tss s ASN 182 Cb -0.10 -2.55 0.87 0.00 0.41 0.00 0.00 41.25 39.87 4tss s ASN 182 CO 0.24 -1.84 1.41 2.30 -1.51 0.00 0.00 177.10 177.70 4tss n ILE 183 N 6.57 0.71 0.49 0.60 -5.35 0.17 -1.12 119.36 121.42 4tss n ILE 183 Ca 0.07 0.75 0.13 0.00 -0.27 0.00 0.00 62.75 63.43 4tss n ILE 183 Cb 0.49 -1.75 0.44 0.00 -1.74 0.00 0.00 39.64 37.08 4tss n ILE 183 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 4tss h ASP 184 N 0.00 0.00 -0.59 7.28 2.03 -1.86 -3.12 116.42 120.17 4tss h ASP 184 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 4tss h ASP 184 Cb 0.44 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.93 4tss h ASP 184 CO 0.00 0.00 0.02 -0.62 -1.03 0.00 0.00 179.24 177.61 4tss n GLU 185 N -2.39 4.88 -3.12 4.15 1.02 -0.28 -4.89 120.64 120.01 4tss n GLU 185 Ca 0.04 -3.17 -0.40 0.00 -0.02 0.00 0.00 57.16 53.60 4tss n GLU 185 Cb 0.36 -2.28 -0.06 0.00 -0.02 0.00 0.00 31.44 29.45 4tss n GLU 185 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 4tss s ILE 186 N -2.79 5.02 -0.00 -3.67 1.01 -1.18 -0.44 121.20 119.14 4tss s ILE 186 Ca 0.55 1.17 -0.00 0.00 0.00 0.00 0.00 60.65 62.37 4tss s ILE 186 Cb 0.42 -3.94 -0.00 0.00 0.01 0.00 0.00 42.46 38.95 4tss s ILE 186 CO 0.16 0.10 0.60 0.50 0.00 0.00 0.00 174.94 176.30 4tss h LYS 187 N 7.55 -0.01 -4.31 2.79 3.64 -1.23 -3.44 116.57 121.56 4tss h LYS 187 Ca -0.31 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.89 4tss h LYS 187 Cb 1.14 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.83 4tss h LYS 187 CO 0.77 -0.01 -0.49 0.95 -2.27 0.00 0.00 179.45 178.41 4tss s THR 188 N -2.22 0.02 0.07 1.00 -4.23 -0.27 -4.82 115.64 105.19 4tss s THR 188 Ca -0.00 -1.81 0.05 0.00 -1.18 0.00 0.00 61.69 58.75 4tss s THR 188 Cb 0.00 -2.32 -0.03 0.00 1.34 0.00 0.00 72.50 71.49 4tss s THR 188 CO 0.00 -0.08 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.23 4tss s ILE 189 N -4.10 1.13 0.23 2.99 1.01 -0.44 0.11 121.20 122.13 4tss s ILE 189 Ca 0.32 -1.31 0.00 0.00 0.00 0.00 0.00 60.65 59.66 4tss s ILE 189 Cb 0.05 -1.09 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 4tss s ILE 189 CO 0.09 -0.22 0.11 -1.61 0.00 0.00 0.00 174.94 173.31 4tss s GLU 190 N -1.75 1.31 -0.28 2.79 2.02 -0.43 -3.43 118.70 118.93 4tss s GLU 190 Ca -0.02 -1.70 -0.21 0.00 0.02 0.00 0.00 54.97 53.06 4tss s GLU 190 Cb -0.10 -0.02 0.11 0.00 0.10 0.00 0.00 34.13 34.23 4tss s GLU 190 CO 0.02 -0.34 0.90 0.00 0.02 0.00 0.00 175.26 175.86 4tss s ALA 191 N -3.94 -2.00 -0.07 5.21 0.00 -1.18 -1.26 121.76 118.53 4tss s ALA 191 Ca 0.38 2.09 -0.05 0.00 0.00 0.00 0.00 51.96 54.39 4tss s ALA 191 Cb 0.07 -1.46 0.03 0.00 0.00 0.00 0.00 23.12 21.76 4tss s ALA 191 CO 0.13 -0.31 0.17 -2.00 0.00 0.00 0.00 175.76 173.74 4tss s GLU 192 N 0.80 0.16 0.00 0.00 2.56 -0.20 -1.00 118.70 121.03 4tss s GLU 192 Ca -0.03 0.32 0.07 0.00 0.00 0.00 0.00 54.97 55.33 4tss s GLU 192 Cb -0.05 -0.03 -0.03 0.00 2.00 0.00 0.00 34.13 36.02 4tss s GLU 192 CO -0.10 -0.09 -0.21 0.42 -0.56 0.00 0.00 175.26 174.73 4tss s ILE 193 N 0.63 2.56 0.00 -3.70 1.01 0.11 -1.75 121.20 120.06 4tss s ILE 193 Ca -0.04 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.52 4tss s ILE 193 Cb -0.06 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.41 4tss s ILE 193 CO -0.03 0.47 0.00 -3.20 0.00 0.00 0.00 174.94 172.18