#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c5i s SER 2 N 0.00 6.38 0.41 0.00 0.15 -1.26 -4.51 113.70 114.87 1c5i s SER 2 Ca 0.00 0.44 -0.23 0.00 0.70 0.00 0.00 55.95 56.86 1c5i s SER 2 Cb 0.00 -2.14 -0.10 0.00 -1.71 0.00 0.00 66.02 62.07 1c5i s SER 2 CO 0.00 0.17 1.00 0.42 1.20 0.00 0.00 173.24 176.03 1c5i s THR 3 N 0.17 4.02 -0.01 6.45 -4.23 -1.26 -4.96 115.64 115.83 1c5i s THR 3 Ca 0.14 1.44 0.01 0.00 -1.18 0.00 0.00 61.69 62.10 1c5i s THR 3 Cb -0.12 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 70.04 1c5i s THR 3 CO 0.02 -0.10 0.79 -0.90 -0.54 0.00 0.00 174.62 173.90 1c5i n ASP 4 N -0.24 1.07 -4.01 3.99 5.68 -0.04 -4.97 116.55 118.03 1c5i n ASP 4 Ca 0.06 -1.61 -0.21 0.00 -0.50 0.00 0.00 54.79 52.53 1c5i n ASP 4 Cb 0.51 -0.02 -0.16 0.00 -1.14 0.00 0.00 41.12 40.31 1c5i n ASP 4 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1c5i s TYR 5 N -0.60 1.07 -0.25 2.11 5.04 -0.36 -4.62 117.35 119.74 1c5i s TYR 5 Ca 0.01 -0.28 0.01 0.00 -2.44 0.00 0.00 57.07 54.36 1c5i s TYR 5 Cb 0.01 -0.76 0.04 0.00 0.35 0.00 0.00 41.96 41.60 1c5i s TYR 5 CO 0.00 -0.12 -0.09 -0.46 -1.34 0.00 0.00 175.55 173.54 1c5i s TRP 6 N 0.23 3.14 -0.24 4.97 -0.00 -1.26 -1.59 118.94 124.19 1c5i s TRP 6 Ca -0.04 -1.94 -0.12 0.00 -0.00 0.00 0.00 56.10 54.00 1c5i s TRP 6 Cb -0.10 -1.99 -0.05 0.00 -0.00 0.00 0.00 33.47 31.33 1c5i s TRP 6 CO 0.01 -0.82 0.22 -1.14 -0.00 0.00 0.00 176.95 175.22 1c5i s GLN 7 N 1.22 4.06 -0.39 5.86 2.00 0.96 -4.98 119.66 128.39 1c5i s GLN 7 Ca -0.04 -0.18 0.04 0.00 -2.00 0.00 0.00 55.36 53.18 1c5i s GLN 7 Cb -0.18 -3.57 0.16 0.00 0.80 0.00 0.00 33.01 30.22 1c5i s GLN 7 CO -0.05 -0.03 0.42 1.21 -0.50 0.00 0.00 175.29 176.34 1c5i s ASN 8 N 1.23 0.77 -0.03 6.67 3.04 -1.25 -0.88 114.94 124.50 1c5i s ASN 8 Ca 0.10 -1.69 0.06 0.00 0.04 0.00 0.00 52.86 51.37 1c5i s ASN 8 Cb -0.14 0.68 -0.01 0.00 -1.54 0.00 0.00 41.25 40.23 1c5i s ASN 8 CO 0.07 -0.22 -0.21 0.86 -3.04 0.00 0.00 177.10 174.56 1c5i s TRP 9 N 1.27 1.91 -0.01 0.43 -0.00 -0.45 -5.02 118.94 117.07 1c5i s TRP 9 Ca 0.19 -0.43 -0.02 0.00 -0.00 0.00 0.00 56.10 55.84 1c5i s TRP 9 Cb -0.12 -1.25 0.00 0.00 -0.00 0.00 0.00 33.47 32.11 1c5i s TRP 9 CO -0.04 -0.08 0.05 -0.08 -0.00 0.00 0.00 176.95 176.79 1c5i s THR 10 N -0.34 0.02 -2.00 5.86 -1.32 -1.26 -0.48 115.64 116.12 1c5i s THR 10 Ca 0.04 -0.19 0.18 0.00 -1.21 0.00 0.00 61.69 60.51 1c5i s THR 10 Cb -0.10 -0.14 0.50 0.00 -1.51 0.00 0.00 72.50 71.25 1c5i s THR 10 CO 0.00 -0.10 1.59 -0.90 -2.21 0.00 0.00 174.62 173.00 1c5i n ASP 11 N 2.71 0.00 0.00 8.08 5.68 -0.50 -4.85 116.55 127.67 1c5i n ASP 11 Ca -0.15 -1.22 0.00 0.00 -0.50 0.00 0.00 54.79 52.93 1c5i n ASP 11 Cb 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 1c5i n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c5i n GLY 12 N 0.62 0.19 3.76 6.12 0.00 -1.26 -5.00 105.19 109.63 1c5i n GLY 12 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1c5i n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1c5i s GLY 13 N -1.84 2.82 0.00 -0.02 0.00 -1.26 -4.95 107.32 102.06 1c5i s GLY 13 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.00 1c5i s GLY 13 CO 0.00 0.94 0.00 0.61 0.00 0.00 0.00 173.10 174.65 1c5i n GLY 14 N 2.06 0.72 3.42 0.20 0.00 -1.16 -3.07 105.19 107.35 1c5i n GLY 14 Ca -0.04 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 1c5i n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c5i s ILE 15 N 0.00 3.54 -0.31 -0.61 1.01 -0.67 -4.92 121.20 119.24 1c5i s ILE 15 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 60.65 60.18 1c5i s ILE 15 Cb 0.00 -2.55 0.10 0.00 0.01 0.00 0.00 42.46 40.02 1c5i s ILE 15 CO 0.00 0.48 0.08 -0.69 0.00 0.00 0.00 174.94 174.82 1c5i s VAL 16 N 0.63 1.07 -0.91 2.92 1.01 -1.26 -1.27 120.40 122.59 1c5i s VAL 16 Ca -0.04 -1.49 -0.15 0.00 0.00 0.00 0.00 61.98 60.30 1c5i s VAL 16 Cb -0.15 -1.79 0.19 0.00 0.00 0.00 0.00 36.38 34.64 1c5i s VAL 16 CO 0.03 -0.64 0.95 0.21 0.00 0.00 0.00 175.10 175.65 1c5i s ASN 17 N 1.52 6.79 -0.15 3.32 3.04 0.68 -4.97 114.94 125.18 1c5i s ASN 17 Ca 0.09 -2.58 -0.18 0.00 0.04 0.00 0.00 52.86 50.23 1c5i s ASN 17 Cb -0.17 -2.28 -0.04 0.00 -1.54 0.00 0.00 41.25 37.21 1c5i s ASN 17 CO -0.22 -0.71 0.46 0.00 -3.04 0.00 0.00 177.10 173.59 1c5i s ALA 18 N 0.93 3.51 -0.22 1.71 0.00 -1.26 -1.86 121.76 124.57 1c5i s ALA 18 Ca 0.25 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.88 1c5i s ALA 18 Cb -0.08 -2.66 0.01 0.00 0.00 0.00 0.00 23.12 20.38 1c5i s ALA 18 CO -0.09 -0.14 -0.07 0.08 0.00 0.00 0.00 175.76 175.54 1c5i s VAL 19 N 0.96 3.01 -0.90 0.00 1.01 -0.09 -5.00 120.40 119.38 1c5i s VAL 19 Ca 0.24 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 61.26 1c5i s VAL 19 Cb -0.15 -2.40 0.05 0.00 0.00 0.00 0.00 36.38 33.88 1c5i s VAL 19 CO 0.09 0.38 1.36 0.21 0.00 0.00 0.00 175.10 177.15 1c5i s ASN 20 N 1.41 6.37 1.01 3.32 3.84 -1.26 -2.43 114.94 127.19 1c5i s ASN 20 Ca 0.04 -1.08 -0.06 0.00 0.21 0.00 0.00 52.86 51.97 1c5i s ASN 20 Cb -0.15 -2.56 0.09 0.00 -0.55 0.00 0.00 41.25 38.08 1c5i s ASN 20 CO -0.05 -1.62 0.48 0.61 -2.79 0.00 0.00 177.10 173.73 1c5i n GLY 21 N 6.24 -1.47 3.77 1.21 0.00 -0.41 -5.01 105.19 109.53 1c5i n GLY 21 Ca 0.21 -1.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 1c5i n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1c5i s SER 22 N -2.77 6.70 1.69 1.61 1.04 -1.26 -4.57 113.70 116.15 1c5i s SER 22 Ca 0.28 2.17 0.00 0.00 0.48 0.00 0.00 55.95 58.88 1c5i s SER 22 Cb -0.01 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.51 1c5i s SER 22 CO 0.20 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1c5i n GLY 23 N 0.54 3.65 1.80 7.32 0.00 -1.26 -1.18 105.19 116.06 1c5i n GLY 23 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1c5i n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c5i n GLY 24 N 0.00 2.88 3.86 -0.02 0.00 -1.26 -4.86 105.19 105.79 1c5i n GLY 24 Ca 0.00 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 1c5i n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1c5i s ASN 25 N -0.76 6.67 0.08 1.61 3.84 -0.32 -0.23 114.94 125.83 1c5i s ASN 25 Ca 0.52 0.82 -0.19 0.00 0.21 0.00 0.00 52.86 54.22 1c5i s ASN 25 Cb 0.39 -2.19 0.04 0.00 -0.55 0.00 0.00 41.25 38.94 1c5i s ASN 25 CO 0.17 0.20 0.46 -0.72 -2.79 0.00 0.00 177.10 174.41 1c5i s TYR 26 N -1.34 -0.32 0.04 0.43 -0.85 0.07 -1.29 117.35 114.08 1c5i s TYR 26 Ca 0.31 0.19 -0.00 0.00 -0.52 0.00 0.00 57.07 57.05 1c5i s TYR 26 Cb -0.14 0.30 -0.03 0.00 0.38 0.00 0.00 41.96 42.47 1c5i s TYR 26 CO 0.17 -0.67 -0.03 -1.54 -1.52 0.00 0.00 175.55 171.96 1c5i s SER 27 N -2.35 0.38 -0.01 -0.18 1.04 -1.02 -1.10 113.70 110.46 1c5i s SER 27 Ca -0.02 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1c5i s SER 27 Cb 0.00 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.28 1c5i s SER 27 CO -0.07 -0.43 0.02 -0.69 0.98 0.00 0.00 173.24 173.05 1c5i s VAL 28 N -2.56 -0.03 -0.22 5.02 1.01 0.26 -0.91 120.40 122.97 1c5i s VAL 28 Ca -0.05 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1c5i s VAL 28 Cb -0.02 -0.06 0.04 0.00 0.00 0.00 0.00 36.38 36.35 1c5i s VAL 28 CO -0.05 0.06 -0.13 0.20 0.00 0.00 0.00 175.10 175.18 1c5i s ASN 29 N 0.68 3.74 0.14 3.32 0.01 -0.78 -1.43 114.94 120.62 1c5i s ASN 29 Ca -0.06 -1.03 0.06 0.00 -0.71 0.00 0.00 52.86 51.13 1c5i s ASN 29 Cb -0.08 -1.42 -0.04 0.00 0.41 0.00 0.00 41.25 40.12 1c5i s ASN 29 CO -0.02 -0.12 -0.13 -1.66 -1.51 0.00 0.00 177.10 173.65 1c5i s TRP 30 N 1.25 1.43 -0.27 2.20 -2.14 -0.60 -0.23 118.94 120.58 1c5i s TRP 30 Ca -0.03 -0.61 -0.16 0.00 2.66 0.00 0.00 56.10 57.97 1c5i s TRP 30 Cb -0.17 -0.73 0.08 0.00 -3.10 0.00 0.00 33.47 29.55 1c5i s TRP 30 CO -0.08 0.17 0.68 -1.54 -2.66 0.00 0.00 176.95 173.52 1c5i s SER 31 N -2.79 -0.91 -1.28 -2.66 1.04 -0.39 -1.01 113.70 105.69 1c5i s SER 31 Ca 0.13 1.48 -0.11 0.00 0.48 0.00 0.00 55.95 57.93 1c5i s SER 31 Cb -0.02 1.36 0.00 0.00 0.10 0.00 0.00 66.02 67.46 1c5i s SER 31 CO 0.03 -0.24 0.59 0.59 0.98 0.00 0.00 173.24 175.19 1c5i n ASN 32 N 4.20 -2.62 -4.85 7.02 3.02 -0.38 -1.68 115.26 119.97 1c5i n ASN 32 Ca -0.20 -1.04 -0.22 0.00 -0.03 0.00 0.00 54.58 53.10 1c5i n ASN 32 Cb 0.59 -3.06 0.09 0.00 -0.61 0.00 0.00 39.78 36.79 1c5i n ASN 32 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1c5i s THR 33 N -3.73 2.03 0.00 3.41 -4.23 -1.10 -2.99 115.64 109.03 1c5i s THR 33 Ca 0.23 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 1c5i s THR 33 Cb -0.09 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.54 1c5i s THR 33 CO 0.89 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.58 1c5i n GLY 34 N -2.57 0.77 3.87 3.99 0.00 -1.18 -2.32 105.19 107.76 1c5i n GLY 34 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1c5i n GLY 34 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1c5i s ASP 35 N -0.64 6.33 -0.02 1.61 2.15 -1.26 -1.72 116.67 123.13 1c5i s ASP 35 Ca 0.00 0.44 -0.19 0.00 0.43 0.00 0.00 52.55 53.23 1c5i s ASP 35 Cb 0.00 -2.03 0.04 0.00 -0.30 0.00 0.00 42.92 40.63 1c5i s ASP 35 CO 0.00 0.39 0.41 0.72 -0.17 0.00 0.00 175.17 176.52 1c5i s PHE 36 N -1.06 -0.30 -0.07 -5.34 -0.12 -0.92 -1.42 117.98 108.75 1c5i s PHE 36 Ca 0.16 0.47 -0.01 0.00 -0.05 0.00 0.00 56.93 57.50 1c5i s PHE 36 Cb -0.12 0.18 0.03 0.00 -0.63 0.00 0.00 43.02 42.48 1c5i s PHE 36 CO 0.06 -0.46 0.01 0.08 -0.05 0.00 0.00 175.22 174.86 1c5i s VAL 37 N -1.39 0.31 0.00 -2.49 1.01 0.37 -2.28 120.40 115.94 1c5i s VAL 37 Ca -0.12 0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.06 1c5i s VAL 37 Cb -0.04 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 1c5i s VAL 37 CO 0.05 0.24 -0.16 -0.69 0.00 0.00 0.00 175.10 174.55 1c5i s VAL 38 N 2.00 1.24 0.00 2.92 1.01 -0.70 -1.34 120.40 125.53 1c5i s VAL 38 Ca 0.05 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1c5i s VAL 38 Cb -0.12 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1c5i s VAL 38 CO -0.05 0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1c5i n GLY 39 N 2.51 0.19 3.27 4.51 0.00 -0.06 -0.50 105.19 115.10 1c5i n GLY 39 Ca -0.15 -1.01 -0.26 0.00 0.00 0.00 0.00 46.02 44.60 1c5i n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c5i s LYS 40 N -2.00 1.36 0.00 1.61 1.02 -1.23 -0.03 119.74 120.48 1c5i s LYS 40 Ca 0.00 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 54.99 1c5i s LYS 40 Cb 0.00 -1.52 0.00 0.00 -0.52 0.00 0.00 37.83 35.79 1c5i s LYS 40 CO 0.00 0.38 0.00 0.41 -0.92 0.00 0.00 175.35 175.22 1c5i n GLY 41 N 1.67 0.87 3.26 -3.33 0.00 -0.62 -1.89 105.19 105.15 1c5i n GLY 41 Ca -0.18 0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 1c5i n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1c5i s TRP 42 N 1.52 1.91 0.33 1.61 0.51 0.16 -0.86 118.94 124.12 1c5i s TRP 42 Ca 0.00 -0.38 0.02 0.00 -2.12 0.00 0.00 56.10 53.62 1c5i s TRP 42 Cb 0.00 -1.15 0.58 0.00 -0.81 0.00 0.00 33.47 32.08 1c5i s TRP 42 CO 0.00 0.07 1.94 1.15 -0.51 0.00 0.00 176.95 179.61 1c5i h THR 43 N 4.38 1.18 -3.34 2.01 2.02 -1.86 -0.81 112.91 116.50 1c5i h THR 43 Ca -0.43 -0.50 -0.65 0.00 0.77 0.00 0.00 66.41 65.60 1c5i h THR 43 Cb 1.15 0.47 -0.36 0.00 -1.74 0.00 0.00 68.15 67.67 1c5i h THR 43 CO 0.44 0.21 -0.83 -0.89 0.37 0.00 0.00 175.52 174.82 1c5i s THR 44 N -5.47 1.96 0.76 3.16 2.01 -1.26 -2.55 115.64 114.26 1c5i s THR 44 Ca -0.10 -1.10 -0.11 0.00 0.31 0.00 0.00 61.69 60.70 1c5i s THR 44 Cb 0.17 -1.90 0.05 0.00 0.01 0.00 0.00 72.50 70.83 1c5i s THR 44 CO 0.77 0.32 1.08 -0.83 -0.69 0.00 0.00 174.62 175.28 1c5i s GLY 45 N 1.28 1.67 -0.01 4.40 0.00 0.97 -4.81 107.32 110.82 1c5i s GLY 45 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 44.72 44.92 1c5i s GLY 45 CO -0.10 0.55 0.02 -0.45 0.00 0.00 0.00 173.10 173.12 1c5i s SER 46 N -3.49 -0.01 0.00 1.64 0.15 -1.26 -4.86 113.70 105.86 1c5i s SER 46 Ca 0.61 0.05 0.22 0.00 0.70 0.00 0.00 55.95 57.52 1c5i s SER 46 Cb -0.16 0.03 0.95 0.00 -1.71 0.00 0.00 66.02 65.12 1c5i s SER 46 CO 0.56 -0.03 1.70 -0.81 1.20 0.00 0.00 173.24 175.86 1c5i n PRO 47 N 3.24 0.03 -0.08 5.44 -0.04 -1.26 -2.96 135.00 139.37 1c5i n PRO 47 Ca -0.14 0.12 0.08 0.00 -0.04 0.00 0.00 63.50 63.51 1c5i n PRO 47 Cb 0.58 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.66 1c5i n PRO 47 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1c5i n PHE 48 N -1.48 0.21 -2.42 0.54 3.72 -1.26 -3.29 117.46 113.48 1c5i n PHE 48 Ca 0.06 -0.16 -0.39 0.00 -0.05 0.00 0.00 57.45 56.91 1c5i n PHE 48 Cb 0.25 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.75 1c5i n PHE 48 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1c5i s ARG 49 N -1.19 4.31 -0.27 -1.08 3.52 -1.16 -4.80 118.95 118.29 1c5i s ARG 49 Ca 0.23 1.75 -0.05 0.00 -0.13 0.00 0.00 55.73 57.53 1c5i s ARG 49 Cb 0.14 -2.85 0.02 0.00 -1.56 0.00 0.00 34.95 30.70 1c5i s ARG 49 CO 0.20 -0.07 0.02 0.99 -0.81 0.00 0.00 175.30 175.63 1c5i s THR 50 N -1.38 3.52 -0.16 4.11 2.01 -1.26 -3.01 115.64 119.48 1c5i s THR 50 Ca 0.52 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 61.59 1c5i s THR 50 Cb -0.29 -2.80 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 1c5i s THR 50 CO 0.37 0.13 0.23 -0.63 -0.69 0.00 0.00 174.62 174.04 1c5i s ILE 51 N 1.43 5.35 0.01 1.82 1.09 -0.51 -4.94 121.20 125.44 1c5i s ILE 51 Ca 0.02 0.41 0.05 0.00 -1.10 0.00 0.00 60.65 60.03 1c5i s ILE 51 Cb -0.17 -3.56 -0.03 0.00 -1.06 0.00 0.00 42.46 37.64 1c5i s ILE 51 CO -0.00 0.45 -0.12 0.20 -0.10 0.00 0.00 174.94 175.37 1c5i s ASN 52 N 0.13 4.25 0.16 3.58 0.01 -0.39 -0.26 114.94 122.42 1c5i s ASN 52 Ca 0.14 -0.24 -0.23 0.00 -0.71 0.00 0.00 52.86 51.82 1c5i s ASN 52 Cb -0.12 -0.89 0.07 0.00 0.41 0.00 0.00 41.25 40.72 1c5i s ASN 52 CO 0.03 0.29 0.59 -0.72 -1.51 0.00 0.00 177.10 175.77 1c5i s TYR 53 N -0.93 -0.52 -0.20 2.20 1.13 -0.28 -1.24 117.35 117.52 1c5i s TYR 53 Ca 0.15 0.31 -0.04 0.00 -1.41 0.00 0.00 57.07 56.08 1c5i s TYR 53 Cb -0.11 0.54 0.08 0.00 -1.10 0.00 0.00 41.96 41.38 1c5i s TYR 53 CO 0.06 -0.84 0.18 1.21 -2.51 0.00 0.00 175.55 173.64 1c5i s ASN 54 N -2.75 1.77 -0.76 -0.18 3.04 -0.38 -0.05 114.94 115.64 1c5i s ASN 54 Ca 0.01 -0.40 -0.20 0.00 0.04 0.00 0.00 52.86 52.30 1c5i s ASN 54 Cb -0.01 0.16 0.10 0.00 -1.54 0.00 0.00 41.25 39.96 1c5i s ASN 54 CO -0.13 -0.34 1.00 0.00 -3.04 0.00 0.00 177.10 174.59 1c5i s ALA 55 N 2.26 3.27 0.41 1.71 0.00 -1.26 -1.61 121.76 126.54 1c5i s ALA 55 Ca 0.05 -2.29 0.13 0.00 0.00 0.00 0.00 51.96 49.86 1c5i s ALA 55 Cb -0.16 -3.89 0.87 0.00 0.00 0.00 0.00 23.12 19.94 1c5i s ALA 55 CO -0.13 -2.80 1.92 0.78 0.00 0.00 0.00 175.76 175.53 1c5i h GLY 56 N 10.75 0.02 -6.80 0.00 0.00 -1.33 -0.98 103.07 104.74 1c5i h GLY 56 Ca -0.10 -0.01 -0.40 0.00 0.00 0.00 0.00 47.33 46.81 1c5i h GLY 56 CO 1.14 0.01 -0.76 0.14 0.00 0.00 0.00 176.54 177.07 1c5i s VAL 57 N -4.47 0.28 -0.35 4.60 1.01 -0.95 -4.78 120.40 115.73 1c5i s VAL 57 Ca -0.04 0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 1c5i s VAL 57 Cb 0.15 -0.42 0.14 0.00 0.00 0.00 0.00 36.38 36.25 1c5i s VAL 57 CO 0.71 0.21 0.21 0.86 0.00 0.00 0.00 175.10 177.09 1c5i s TRP 58 N 1.62 0.82 -0.53 5.22 -0.00 -1.26 -0.22 118.94 124.60 1c5i s TRP 58 Ca -0.01 -1.65 0.07 0.00 -0.00 0.00 0.00 56.10 54.51 1c5i s TRP 58 Cb -0.13 -1.02 0.25 0.00 -0.00 0.00 0.00 33.47 32.57 1c5i s TRP 58 CO -0.03 -0.83 0.64 0.00 -0.00 0.00 0.00 176.95 176.73 1c5i n ALA 59 N 4.09 3.32 -1.86 5.86 0.00 0.47 -5.03 120.51 127.37 1c5i n ALA 59 Ca 0.10 -4.14 -0.38 0.00 0.00 0.00 0.00 53.44 49.02 1c5i n ALA 59 Cb 0.37 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.90 1c5i n ALA 59 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1c5i s PRO 60 N -1.87 4.63 -0.79 0.00 0.04 -1.26 -1.79 135.00 133.96 1c5i s PRO 60 Ca 0.38 1.28 0.02 0.00 0.04 0.00 0.00 61.00 62.72 1c5i s PRO 60 Cb 0.16 -3.08 0.32 0.00 0.04 0.00 0.00 34.50 31.94 1c5i s PRO 60 CO -0.06 0.44 1.29 0.09 0.04 0.00 0.00 177.00 178.80 1c5i n ASN 61 N 1.13 5.60 0.00 6.66 3.02 0.12 -4.88 115.26 126.92 1c5i n ASN 61 Ca -0.02 -3.64 0.00 0.00 -0.03 0.00 0.00 54.58 50.89 1c5i n ASN 61 Cb 0.49 -0.85 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 1c5i n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1c5i n GLY 62 N 0.06 0.67 3.64 7.41 0.00 -1.26 -3.52 105.19 112.18 1c5i n GLY 62 Ca 0.36 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 1c5i n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1c5i s ASN 63 N -4.00 6.72 -0.11 1.61 3.04 -1.26 -1.51 114.94 119.43 1c5i s ASN 63 Ca 0.00 1.31 -0.28 0.00 0.04 0.00 0.00 52.86 53.93 1c5i s ASN 63 Cb 0.00 -2.54 0.07 0.00 -1.54 0.00 0.00 41.25 37.24 1c5i s ASN 63 CO 0.00 -1.02 0.65 -0.83 -3.04 0.00 0.00 177.10 172.87 1c5i s GLY 64 N 2.65 -0.53 -0.04 1.21 0.00 -1.26 -2.29 107.32 107.06 1c5i s GLY 64 Ca 0.56 1.43 0.04 0.00 0.00 0.00 0.00 44.72 46.75 1c5i s GLY 64 CO 0.21 1.10 -0.17 -0.19 0.00 0.00 0.00 173.10 174.06 1c5i s TYR 65 N -0.74 1.68 -0.49 1.90 2.02 0.50 -0.40 117.35 121.81 1c5i s TYR 65 Ca -0.08 -0.48 -0.14 0.00 -0.37 0.00 0.00 57.07 56.01 1c5i s TYR 65 Cb -0.02 -1.13 0.10 0.00 -0.40 0.00 0.00 41.96 40.52 1c5i s TYR 65 CO 0.07 -0.16 0.40 -1.17 -1.57 0.00 0.00 175.55 173.12 1c5i s LEU 66 N 0.04 5.77 0.02 -1.29 2.96 -0.45 -1.55 118.68 124.17 1c5i s LEU 66 Ca -0.04 -1.63 -0.17 0.00 -0.22 0.00 0.00 54.13 52.08 1c5i s LEU 66 Cb -0.11 -2.13 0.03 0.00 0.50 0.00 0.00 46.19 44.48 1c5i s LEU 66 CO 0.02 -0.72 0.37 0.28 -1.32 0.00 0.00 176.35 174.99 1c5i s THR 67 N 1.54 0.06 0.21 3.68 -1.32 -0.49 -1.90 115.64 117.42 1c5i s THR 67 Ca 0.04 -0.48 -0.30 0.00 -1.21 0.00 0.00 61.69 59.74 1c5i s THR 67 Cb -0.27 -0.84 -0.09 0.00 -1.51 0.00 0.00 72.50 69.79 1c5i s THR 67 CO 0.03 -0.26 1.31 -0.22 -2.21 0.00 0.00 174.62 173.27 1c5i s LEU 68 N -1.73 4.42 -0.00 9.08 2.96 -0.37 -0.56 118.68 132.47 1c5i s LEU 68 Ca -0.08 2.43 -0.00 0.00 -0.22 0.00 0.00 54.13 56.26 1c5i s LEU 68 Cb -0.02 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.06 1c5i s LEU 68 CO 0.01 -0.52 0.01 -0.47 -1.32 0.00 0.00 176.35 174.05 1c5i s TYR 69 N -0.03 -0.01 0.15 5.38 5.04 0.17 -1.96 117.35 126.09 1c5i s TYR 69 Ca 0.56 0.03 -0.24 0.00 -2.44 0.00 0.00 57.07 54.97 1c5i s TYR 69 Cb -0.37 -0.01 0.08 0.00 0.35 0.00 0.00 41.96 42.01 1c5i s TYR 69 CO 0.40 -0.01 1.04 0.20 -1.34 0.00 0.00 175.55 175.84 1c5i s GLY 70 N 0.05 -0.06 0.10 8.97 0.00 -1.06 -0.43 107.32 114.88 1c5i s GLY 70 Ca -0.00 -0.07 0.01 0.00 0.00 0.00 0.00 44.72 44.66 1c5i s GLY 70 CO -0.00 1.41 -0.05 -0.98 0.00 0.00 0.00 173.10 173.48 1c5i s TRP 71 N -2.59 0.86 0.05 1.90 0.52 -1.13 -1.07 118.94 117.48 1c5i s TRP 71 Ca 0.18 -0.96 -0.00 0.00 0.02 0.00 0.00 56.10 55.34 1c5i s TRP 71 Cb -0.01 -0.51 -0.04 0.00 -1.15 0.00 0.00 33.47 31.76 1c5i s TRP 71 CO 0.03 -0.20 -0.04 0.95 0.02 0.00 0.00 176.95 177.71 1c5i s THR 72 N -3.69 0.29 0.28 2.01 -4.23 -0.63 -1.63 115.64 108.04 1c5i s THR 72 Ca 0.13 -1.62 0.11 0.00 -1.18 0.00 0.00 61.69 59.12 1c5i s THR 72 Cb 0.06 -1.26 -0.05 0.00 1.34 0.00 0.00 72.50 72.59 1c5i s THR 72 CO -0.05 -0.85 -0.13 -0.13 -0.54 0.00 0.00 174.62 172.93 1c5i s ARG 73 N -3.31 1.90 -0.96 3.99 0.52 0.17 -1.54 118.95 119.72 1c5i s ARG 73 Ca 0.03 -1.65 -0.08 0.00 -0.52 0.00 0.00 55.73 53.50 1c5i s ARG 73 Cb 0.03 -1.90 -0.02 0.00 0.52 0.00 0.00 34.95 33.58 1c5i s ARG 73 CO -0.07 0.33 0.78 0.43 0.02 0.00 0.00 175.30 176.79 1c5i n SER 74 N -0.73 -6.36 -4.97 0.23 7.64 -1.26 -2.25 113.62 105.92 1c5i n SER 74 Ca -0.05 -0.65 -0.21 0.00 1.01 0.00 0.00 58.87 58.96 1c5i n SER 74 Cb 0.60 -4.23 0.03 0.00 -1.01 0.00 0.00 64.21 59.60 1c5i n SER 74 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1c5i s PRO 75 N -4.57 2.63 -0.21 1.43 0.04 -1.26 -1.96 135.00 131.11 1c5i s PRO 75 Ca 0.28 -0.76 -0.29 0.00 0.04 0.00 0.00 61.00 60.26 1c5i s PRO 75 Cb -0.07 -2.51 -0.02 0.00 0.04 0.00 0.00 34.50 31.93 1c5i s PRO 75 CO 0.80 -0.63 1.54 -1.17 0.04 0.00 0.00 177.00 177.58 1c5i s LEU 76 N -4.71 3.97 -0.04 -3.56 2.96 -1.25 -4.10 118.68 111.95 1c5i s LEU 76 Ca 0.56 1.64 -0.02 0.00 -0.22 0.00 0.00 54.13 56.09 1c5i s LEU 76 Cb -0.10 -3.53 0.03 0.00 0.50 0.00 0.00 46.19 43.08 1c5i s LEU 76 CO 0.38 -1.14 0.09 -0.63 -1.32 0.00 0.00 176.35 173.73 1c5i s ILE 77 N 4.76 -0.04 -0.27 6.68 1.01 -0.59 -3.98 121.20 128.77 1c5i s ILE 77 Ca 0.68 0.16 -0.10 0.00 0.00 0.00 0.00 60.65 61.38 1c5i s ILE 77 Cb -0.24 -0.16 -0.05 0.00 0.01 0.00 0.00 42.46 42.02 1c5i s ILE 77 CO 0.27 0.06 0.17 -0.70 0.00 0.00 0.00 174.94 174.74 1c5i s GLU 78 N 0.92 3.89 0.27 2.79 2.12 -0.99 -1.60 118.70 126.10 1c5i s GLU 78 Ca -0.07 -0.35 0.11 0.00 0.36 0.00 0.00 54.97 55.02 1c5i s GLU 78 Cb -0.10 -3.59 -0.05 0.00 0.26 0.00 0.00 34.13 30.65 1c5i s GLU 78 CO -0.04 -0.18 -0.15 1.52 -0.54 0.00 0.00 175.26 175.87 1c5i s TYR 79 N 1.72 2.40 -0.00 5.30 -0.85 -0.24 -1.64 117.35 124.04 1c5i s TYR 79 Ca 0.07 -0.30 -0.06 0.00 -0.52 0.00 0.00 57.07 56.26 1c5i s TYR 79 Cb -0.16 -1.06 0.00 0.00 0.38 0.00 0.00 41.96 41.12 1c5i s TYR 79 CO 0.09 0.67 0.11 0.71 -1.52 0.00 0.00 175.55 175.62 1c5i s TYR 80 N -2.37 0.04 -0.41 -3.49 1.51 -0.03 -2.56 117.35 110.04 1c5i s TYR 80 Ca 0.29 -0.12 0.02 0.00 -1.01 0.00 0.00 57.07 56.25 1c5i s TYR 80 Cb -0.06 -0.05 0.14 0.00 -0.11 0.00 0.00 41.96 41.88 1c5i s TYR 80 CO 0.16 -0.24 0.24 0.08 -1.11 0.00 0.00 175.55 174.68 1c5i s VAL 81 N -1.18 0.91 -0.27 0.71 1.01 -0.83 -1.58 120.40 119.17 1c5i s VAL 81 Ca -0.13 -2.31 -0.26 0.00 0.00 0.00 0.00 61.98 59.28 1c5i s VAL 81 Cb -0.07 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.68 1c5i s VAL 81 CO 0.01 -0.96 0.93 -0.69 0.00 0.00 0.00 175.10 174.39 1c5i s VAL 82 N 0.54 4.72 -0.14 2.92 1.01 0.87 -1.24 120.40 129.07 1c5i s VAL 82 Ca 0.19 1.65 0.14 0.00 0.00 0.00 0.00 61.98 63.96 1c5i s VAL 82 Cb -0.21 -4.23 -0.24 0.00 0.00 0.00 0.00 36.38 31.70 1c5i s VAL 82 CO -0.02 -0.22 0.28 0.47 0.00 0.00 0.00 175.10 175.61 1c5i n ASP 83 N 6.30 0.48 -3.85 3.32 8.00 -0.80 -1.55 116.55 128.45 1c5i n ASP 83 Ca 0.08 0.15 -0.10 0.00 0.71 0.00 0.00 54.79 55.64 1c5i n ASP 83 Cb 0.47 0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 42.00 1c5i n ASP 83 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1c5i s SER 84 N -5.81 -0.06 0.35 -2.24 0.15 -1.16 -0.69 113.70 104.25 1c5i s SER 84 Ca -0.10 -0.68 -0.07 0.00 0.70 0.00 0.00 55.95 55.81 1c5i s SER 84 Cb 0.07 0.46 0.02 0.00 -1.71 0.00 0.00 66.02 64.86 1c5i s SER 84 CO 0.81 -0.91 0.56 -1.66 1.20 0.00 0.00 173.24 173.24 1c5i s TRP 85 N -3.91 0.78 0.00 3.44 -2.14 -1.26 -1.35 118.94 114.50 1c5i s TRP 85 Ca 0.12 -1.13 0.00 0.00 2.66 0.00 0.00 56.10 57.75 1c5i s TRP 85 Cb 0.02 0.17 0.00 0.00 -3.10 0.00 0.00 33.47 30.56 1c5i s TRP 85 CO -0.04 -1.24 0.00 0.41 -2.66 0.00 0.00 176.95 173.43 1c5i n GLY 86 N -0.54 0.66 0.07 3.67 0.00 0.46 -4.92 105.19 104.59 1c5i n GLY 86 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1c5i n GLY 86 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1c5i h THR 87 N 0.00 0.00 -3.13 2.61 1.35 -1.57 -3.45 112.91 108.72 1c5i h THR 87 Ca 0.00 -0.52 -0.63 0.00 -0.55 0.00 0.00 66.41 64.71 1c5i h THR 87 Cb 0.00 1.10 -0.35 0.00 -1.73 0.00 0.00 68.15 67.16 1c5i h THR 87 CO 0.00 0.00 -0.85 -0.47 -0.25 0.00 0.00 175.52 173.95 1c5i s TYR 88 N -3.18 2.41 -0.33 4.73 5.04 -1.26 -5.00 117.35 119.75 1c5i s TYR 88 Ca 0.06 -1.33 -0.23 0.00 -2.44 0.00 0.00 57.07 53.12 1c5i s TYR 88 Cb 0.13 -1.71 0.00 0.00 0.35 0.00 0.00 41.96 40.74 1c5i s TYR 88 CO 0.72 -0.68 0.78 0.50 -1.34 0.00 0.00 175.55 175.53 1c5i s ARG 89 N 1.26 3.87 0.27 4.97 3.52 -1.26 -4.80 118.95 126.79 1c5i s ARG 89 Ca 0.02 0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 55.78 1c5i s ARG 89 Cb -0.14 -3.76 -0.11 0.00 -1.56 0.00 0.00 34.95 29.39 1c5i s ARG 89 CO -0.09 -0.74 1.50 -1.25 -0.81 0.00 0.00 175.30 173.91 1c5i s PRO 90 N 3.00 4.20 0.22 5.12 0.04 -1.26 -5.01 135.00 141.31 1c5i s PRO 90 Ca 0.32 2.42 -0.05 0.00 0.04 0.00 0.00 61.00 63.72 1c5i s PRO 90 Cb -0.14 -3.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 1c5i s PRO 90 CO 0.14 -0.50 0.26 0.95 0.04 0.00 0.00 177.00 177.89 1c5i s THR 91 N -0.08 0.00 0.00 1.26 -4.23 -1.26 -4.92 115.64 106.41 1c5i s THR 91 Ca 0.60 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 1c5i s THR 91 Cb -0.44 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.00 1c5i s THR 91 CO 0.46 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.15 1c5i n GLY 92 N -0.32 2.44 3.59 3.99 0.00 -1.26 -4.99 105.19 108.64 1c5i n GLY 92 Ca 0.01 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1c5i n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c5i s THR 93 N 0.09 3.92 0.18 2.61 2.01 -0.70 -4.84 115.64 118.92 1c5i s THR 93 Ca 0.00 0.90 -0.32 0.00 0.31 0.00 0.00 61.69 62.59 1c5i s THR 93 Cb 0.00 -4.33 -0.11 0.00 0.01 0.00 0.00 72.50 68.07 1c5i s THR 93 CO 0.00 -0.91 1.68 -0.47 -0.69 0.00 0.00 174.62 174.24 1c5i s TYR 94 N 5.45 2.86 -0.02 4.92 5.04 -1.26 -2.30 117.35 132.02 1c5i s TYR 94 Ca 0.57 0.39 0.04 0.00 -2.44 0.00 0.00 57.07 55.63 1c5i s TYR 94 Cb -0.12 -4.07 -0.06 0.00 0.35 0.00 0.00 41.96 38.07 1c5i s TYR 94 CO 0.31 -4.07 0.05 1.63 -1.34 0.00 0.00 175.55 172.12 1c5i n LYS 95 N 4.23 1.89 -2.83 4.97 4.76 0.49 -4.99 118.16 126.68 1c5i n LYS 95 Ca 0.15 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1c5i n LYS 95 Cb 0.37 -1.10 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 1c5i n LYS 95 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1c5i n GLY 96 N 2.53 -0.08 3.21 0.72 0.00 -1.24 -4.97 105.19 105.36 1c5i n GLY 96 Ca -0.04 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 1c5i n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c5i s THR 97 N -2.99 0.56 -0.08 2.61 -4.23 -1.26 0.20 115.64 110.45 1c5i s THR 97 Ca 0.00 -1.96 -0.03 0.00 -1.18 0.00 0.00 61.69 58.52 1c5i s THR 97 Cb 0.00 -2.05 0.04 0.00 1.34 0.00 0.00 72.50 71.83 1c5i s THR 97 CO 0.00 -0.53 0.17 0.54 -0.54 0.00 0.00 174.62 174.26 1c5i s VAL 98 N -3.73 -0.06 -0.17 2.29 0.11 -0.14 -4.92 120.40 113.78 1c5i s VAL 98 Ca 0.22 0.18 -0.18 0.00 -2.93 0.00 0.00 61.98 59.28 1c5i s VAL 98 Cb 0.06 -0.28 -0.04 0.00 -1.53 0.00 0.00 36.38 34.60 1c5i s VAL 98 CO 0.02 0.07 0.49 -0.54 -3.33 0.00 0.00 175.10 171.82 1c5i s LYS 99 N 1.26 4.25 -0.25 1.54 3.01 -1.26 -1.16 119.74 127.13 1c5i s LYS 99 Ca -0.09 0.40 -0.20 0.00 -1.01 0.00 0.00 55.97 55.08 1c5i s LYS 99 Cb -0.11 -3.51 0.07 0.00 -1.01 0.00 0.00 37.83 33.26 1c5i s LYS 99 CO -0.07 -0.01 0.64 0.45 0.51 0.00 0.00 175.35 176.87 1c5i s SER 100 N 0.93 -0.74 -1.43 2.83 0.15 -0.37 -4.96 113.70 110.12 1c5i s SER 100 Ca 0.24 1.34 -0.07 0.00 0.70 0.00 0.00 55.95 58.16 1c5i s SER 100 Cb -0.15 1.31 0.04 0.00 -1.71 0.00 0.00 66.02 65.51 1c5i s SER 100 CO 0.10 -0.23 0.81 0.47 1.20 0.00 0.00 173.24 175.59 1c5i n ASP 101 N 3.23 -2.79 0.00 5.45 8.00 -1.26 -1.83 116.55 127.35 1c5i n ASP 101 Ca -0.16 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1c5i n ASP 101 Cb 0.56 -3.87 0.00 0.00 -0.02 0.00 0.00 41.12 37.80 1c5i n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c5i n GLY 102 N -1.66 2.10 3.45 0.44 0.00 -1.26 -4.95 105.19 103.30 1c5i n GLY 102 Ca -0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 1c5i n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1c5i s GLY 103 N -1.97 1.95 -0.14 -0.02 0.00 -0.76 -5.14 107.32 101.25 1c5i s GLY 103 Ca 0.00 -1.98 -0.02 0.00 0.00 0.00 0.00 44.72 42.72 1c5i s GLY 103 CO 0.00 -1.86 -0.07 -1.59 0.00 0.00 0.00 173.10 169.59 1c5i s THR 104 N -3.06 3.64 -0.01 0.90 2.01 -1.26 -1.24 115.64 116.62 1c5i s THR 104 Ca 0.32 -0.46 0.08 0.00 0.31 0.00 0.00 61.69 61.94 1c5i s THR 104 Cb 0.06 -2.57 -0.02 0.00 0.01 0.00 0.00 72.50 69.98 1c5i s THR 104 CO 0.13 0.52 -0.24 -0.31 -0.69 0.00 0.00 174.62 174.02 1c5i s TYR 105 N 0.20 2.38 0.17 4.92 1.51 -0.30 -0.84 117.35 125.38 1c5i s TYR 105 Ca -0.04 -0.40 -0.18 0.00 -1.01 0.00 0.00 57.07 55.44 1c5i s TYR 105 Cb -0.14 -1.49 -0.08 0.00 -0.11 0.00 0.00 41.96 40.14 1c5i s TYR 105 CO 0.04 0.02 0.64 -0.51 -1.11 0.00 0.00 175.55 174.63 1c5i s ASP 106 N -0.76 7.00 -0.19 2.29 1.01 0.62 -0.96 116.67 125.67 1c5i s ASP 106 Ca 0.11 1.29 -0.07 0.00 0.71 0.00 0.00 52.55 54.58 1c5i s ASP 106 Cb -0.10 -2.37 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 1c5i s ASP 106 CO -0.00 0.10 0.06 -0.63 0.21 0.00 0.00 175.17 174.91 1c5i s ILE 107 N -1.42 4.68 0.10 0.77 1.01 0.13 -1.06 121.20 125.41 1c5i s ILE 107 Ca 0.39 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 61.00 1c5i s ILE 107 Cb -0.17 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1c5i s ILE 107 CO 0.20 0.44 -0.09 -0.31 0.00 0.00 0.00 174.94 175.18 1c5i s TYR 108 N 0.61 1.01 -0.02 3.97 2.02 -0.45 -0.38 117.35 124.12 1c5i s TYR 108 Ca 0.03 -0.72 0.04 0.00 -0.37 0.00 0.00 57.07 56.06 1c5i s TYR 108 Cb -0.13 -0.56 -0.01 0.00 -0.40 0.00 0.00 41.96 40.86 1c5i s TYR 108 CO 0.01 -0.03 -0.15 0.95 -1.57 0.00 0.00 175.55 174.77 1c5i s THR 109 N -2.74 1.18 0.24 -0.71 -4.23 -0.97 -0.39 115.64 108.02 1c5i s THR 109 Ca 0.07 -0.62 0.01 0.00 -1.18 0.00 0.00 61.69 59.97 1c5i s THR 109 Cb -0.01 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.79 1c5i s THR 109 CO -0.01 0.34 0.15 0.42 -0.54 0.00 0.00 174.62 174.98 1c5i s THR 110 N -0.19 0.14 -0.00 3.99 -4.23 -0.82 -1.71 115.64 112.82 1c5i s THR 110 Ca 0.02 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.56 1c5i s THR 110 Cb -0.07 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 1c5i s THR 110 CO 0.00 0.00 -0.09 -0.89 -0.54 0.00 0.00 174.62 173.10 1c5i s THR 111 N -3.91 0.73 -0.12 3.99 2.01 -1.26 -0.76 115.64 116.31 1c5i s THR 111 Ca 0.38 -0.44 -0.03 0.00 0.31 0.00 0.00 61.69 61.92 1c5i s THR 111 Cb 0.06 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.92 1c5i s THR 111 CO 0.15 0.18 0.00 -0.13 -0.69 0.00 0.00 174.62 174.13 1c5i s ARG 112 N -0.29 3.35 -0.14 4.92 1.81 0.45 -4.97 118.95 124.08 1c5i s ARG 112 Ca 0.03 -0.43 0.01 0.00 -1.72 0.00 0.00 55.73 53.62 1c5i s ARG 112 Cb -0.04 -2.90 -0.00 0.00 -0.45 0.00 0.00 34.95 31.56 1c5i s ARG 112 CO -0.00 0.50 -0.17 0.71 -0.68 0.00 0.00 175.30 175.66 1c5i s TYR 113 N -0.32 2.73 -1.34 -0.53 1.51 -1.26 -1.38 117.35 116.76 1c5i s TYR 113 Ca 0.07 -0.96 -0.00 0.00 -1.01 0.00 0.00 57.07 55.16 1c5i s TYR 113 Cb -0.12 -1.83 -0.00 0.00 -0.11 0.00 0.00 41.96 39.89 1c5i s TYR 113 CO 0.02 -0.41 0.58 -1.71 -1.11 0.00 0.00 175.55 172.93 1c5i n ASN 114 N 3.81 -0.85 -4.53 2.29 5.15 -0.98 -4.93 115.26 115.21 1c5i n ASN 114 Ca -0.19 -0.90 -0.25 0.00 -0.60 0.00 0.00 54.58 52.64 1c5i n ASN 114 Cb 0.52 -3.64 -0.09 0.00 -0.53 0.00 0.00 39.78 36.04 1c5i n ASN 114 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1c5i s ALA 115 N -3.79 2.87 0.51 5.20 0.00 -0.28 -4.67 121.76 121.60 1c5i s ALA 115 Ca 0.01 -1.67 -0.21 0.00 0.00 0.00 0.00 51.96 50.09 1c5i s ALA 115 Cb -0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 23.12 22.52 1c5i s ALA 115 CO 0.84 0.35 1.14 -1.25 0.00 0.00 0.00 175.76 176.84 1c5i s PRO 116 N -3.22 3.51 0.30 0.00 0.04 -1.26 -1.06 135.00 133.32 1c5i s PRO 116 Ca 0.27 1.65 0.05 0.00 0.04 0.00 0.00 61.00 63.01 1c5i s PRO 116 Cb -0.07 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 1c5i s PRO 116 CO 0.15 -0.73 0.17 -1.13 0.04 0.00 0.00 177.00 175.51 1c5i n SER 117 N -1.01 0.33 0.26 6.66 3.41 -1.24 -4.90 113.62 117.13 1c5i n SER 117 Ca 0.10 -2.78 0.11 0.00 -0.26 0.00 0.00 58.87 56.04 1c5i n SER 117 Cb 0.50 1.10 0.69 0.00 -0.26 0.00 0.00 64.21 66.23 1c5i n SER 117 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1c5i h ILE 118 N 1.71 0.72 -0.01 -1.33 3.07 -1.96 -1.77 117.51 117.94 1c5i h ILE 118 Ca -0.23 -0.50 0.00 0.00 1.55 0.00 0.00 64.86 65.69 1c5i h ILE 118 Cb 0.99 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 38.84 1c5i h ILE 118 CO 0.35 0.12 0.00 0.47 -1.05 0.00 0.00 178.15 178.04 1c5i n ASP 119 N -3.86 0.06 -0.06 2.16 8.00 -1.26 -5.01 116.55 116.58 1c5i n ASP 119 Ca -0.02 -1.48 0.01 0.00 0.71 0.00 0.00 54.79 54.01 1c5i n ASP 119 Cb 0.22 -0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.31 1c5i n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c5i n GLY 120 N 0.78 -1.55 7.00 0.44 0.00 -0.67 -4.99 105.19 106.20 1c5i n GLY 120 Ca 0.13 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1c5i n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1c5i n ASP 121 N -1.67 -0.09 -4.14 1.61 8.00 -1.26 -4.30 116.55 114.70 1c5i n ASP 121 Ca -0.00 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.33 1c5i n ASP 121 Cb 0.03 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.01 1c5i n ASP 121 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1c5i s ARG 122 N 0.00 0.72 0.30 -1.24 0.52 -1.26 -3.60 118.95 114.39 1c5i s ARG 122 Ca 0.00 -0.89 -0.18 0.00 -0.52 0.00 0.00 55.73 54.13 1c5i s ARG 122 Cb 0.00 -0.65 0.06 0.00 0.52 0.00 0.00 34.95 34.89 1c5i s ARG 122 CO 0.00 0.14 0.90 -0.08 0.02 0.00 0.00 175.30 176.27 1c5i s THR 123 N -1.32 0.00 -0.19 0.02 -1.32 -0.23 -4.82 115.64 107.78 1c5i s THR 123 Ca -0.05 -0.82 -0.08 0.00 -1.21 0.00 0.00 61.69 59.53 1c5i s THR 123 Cb -0.10 -2.89 -0.04 0.00 -1.51 0.00 0.00 72.50 67.96 1c5i s THR 123 CO 0.02 0.00 0.07 -0.89 -2.21 0.00 0.00 174.62 171.61 1c5i s THR 124 N -2.24 4.82 0.11 5.08 2.01 -1.26 -1.12 115.64 123.04 1c5i s THR 124 Ca 0.18 -0.02 -0.13 0.00 0.31 0.00 0.00 61.69 62.03 1c5i s THR 124 Cb -0.04 -3.18 0.02 0.00 0.01 0.00 0.00 72.50 69.31 1c5i s THR 124 CO 0.09 0.45 0.33 0.72 -0.69 0.00 0.00 174.62 175.51 1c5i s PHE 125 N 0.45 -0.08 0.19 4.92 -0.12 -0.48 -4.98 117.98 117.88 1c5i s PHE 125 Ca 0.04 -0.28 -0.10 0.00 -0.05 0.00 0.00 56.93 56.53 1c5i s PHE 125 Cb -0.12 0.15 -0.07 0.00 -0.63 0.00 0.00 43.02 42.34 1c5i s PHE 125 CO 0.00 -0.65 0.52 0.99 -0.05 0.00 0.00 175.22 176.03 1c5i s THR 126 N -3.82 4.96 -0.08 -4.49 2.01 -1.26 -0.41 115.64 112.54 1c5i s THR 126 Ca 0.04 0.49 0.05 0.00 0.31 0.00 0.00 61.69 62.58 1c5i s THR 126 Cb 0.03 -3.64 -0.00 0.00 0.01 0.00 0.00 72.50 68.89 1c5i s THR 126 CO -0.12 0.04 -0.24 -1.10 -0.69 0.00 0.00 174.62 172.51 1c5i s GLN 127 N -2.55 2.84 -0.15 4.92 -0.21 0.06 -2.34 119.66 122.23 1c5i s GLN 127 Ca 0.43 -0.88 -0.06 0.00 0.02 0.00 0.00 55.36 54.87 1c5i s GLN 127 Cb -0.12 -2.23 -0.04 0.00 1.00 0.00 0.00 33.01 31.61 1c5i s GLN 127 CO 0.21 0.25 0.07 0.71 -2.12 0.00 0.00 175.29 174.41 1c5i s TYR 128 N 0.16 3.33 0.03 0.91 2.02 -0.65 -1.94 117.35 121.21 1c5i s TYR 128 Ca -0.13 0.23 0.04 0.00 -0.37 0.00 0.00 57.07 56.83 1c5i s TYR 128 Cb -0.16 -1.99 -0.02 0.00 -0.40 0.00 0.00 41.96 39.39 1c5i s TYR 128 CO 0.07 0.37 -0.11 -1.58 -1.57 0.00 0.00 175.55 172.73 1c5i s TRP 129 N -0.23 0.94 -0.25 2.71 0.52 0.48 -0.85 118.94 122.27 1c5i s TRP 129 Ca 0.08 -0.34 -0.00 0.00 0.02 0.00 0.00 56.10 55.86 1c5i s TRP 129 Cb -0.12 -0.56 0.07 0.00 -1.15 0.00 0.00 33.47 31.71 1c5i s TRP 129 CO 0.01 -0.00 0.01 -1.12 0.02 0.00 0.00 176.95 175.87 1c5i s SER 130 N -1.05 3.68 -0.17 2.95 0.01 -0.61 -1.34 113.70 117.17 1c5i s SER 130 Ca -0.01 -1.24 0.01 0.00 1.31 0.00 0.00 55.95 56.01 1c5i s SER 130 Cb -0.07 -0.97 0.01 0.00 0.21 0.00 0.00 66.02 65.20 1c5i s SER 130 CO 0.01 -0.31 -0.19 -0.69 0.41 0.00 0.00 173.24 172.47 1c5i s VAL 131 N 1.55 2.23 0.36 3.43 1.01 -0.23 -0.09 120.40 128.67 1c5i s VAL 131 Ca 0.00 -0.90 -0.28 0.00 0.00 0.00 0.00 61.98 60.80 1c5i s VAL 131 Cb -0.18 -1.93 -0.12 0.00 0.00 0.00 0.00 36.38 34.15 1c5i s VAL 131 CO -0.11 0.53 1.37 -1.14 0.00 0.00 0.00 175.10 175.75 1c5i n ARG 132 N 4.36 2.35 -0.05 2.72 0.63 -0.60 -0.27 116.66 125.80 1c5i n ARG 132 Ca -0.20 0.82 -0.03 0.00 -0.92 0.00 0.00 57.85 57.53 1c5i n ARG 132 Cb 0.51 -2.48 0.21 0.00 0.45 0.00 0.00 32.46 31.16 1c5i n ARG 132 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1c5i h GLN 133 N 2.69 0.66 -5.40 -0.14 4.20 -1.35 -3.44 115.11 112.33 1c5i h GLN 133 Ca -0.48 -0.17 -0.41 0.00 0.06 0.00 0.00 58.65 57.64 1c5i h GLN 133 Cb 1.27 -0.08 -0.19 0.00 0.30 0.00 0.00 27.48 28.78 1c5i h GLN 133 CO 0.63 0.70 -0.76 -1.54 -0.67 0.00 0.00 178.83 177.19 1c5i s SER 134 N -6.70 1.93 0.23 1.46 1.04 -1.26 -5.11 113.70 105.30 1c5i s SER 134 Ca -0.08 -0.78 -0.30 0.00 0.48 0.00 0.00 55.95 55.26 1c5i s SER 134 Cb 0.15 -0.06 -0.10 0.00 0.10 0.00 0.00 66.02 66.10 1c5i s SER 134 CO 0.79 -0.14 1.51 -0.54 0.98 0.00 0.00 173.24 175.85 1c5i s LYS 135 N -2.52 4.22 0.02 4.02 1.02 -1.26 -4.92 119.74 120.32 1c5i s LYS 135 Ca 0.07 2.38 -0.30 0.00 0.02 0.00 0.00 55.97 58.14 1c5i s LYS 135 Cb -0.06 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 1c5i s LYS 135 CO 0.03 -0.52 1.12 0.50 -0.92 0.00 0.00 175.35 175.56 1c5i s ARG 136 N 0.07 4.46 0.50 1.68 3.52 0.14 -4.99 118.95 124.32 1c5i s ARG 136 Ca 0.63 1.63 -0.23 0.00 -0.13 0.00 0.00 55.73 57.64 1c5i s ARG 136 Cb -0.44 -3.42 -0.07 0.00 -1.56 0.00 0.00 34.95 29.47 1c5i s ARG 136 CO 0.40 -0.22 1.31 -2.30 -0.81 0.00 0.00 175.30 173.68 1c5i n PRO 137 N 4.12 1.77 -3.78 5.12 -0.02 -1.26 -4.79 135.00 136.17 1c5i n PRO 137 Ca 0.08 0.64 -0.23 0.00 -2.02 0.00 0.00 63.50 61.98 1c5i n PRO 137 Cb 0.48 -2.49 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 1c5i n PRO 137 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1c5i s THR 138 N -1.27 2.34 0.00 3.45 -4.23 -1.26 -4.63 115.64 110.04 1c5i s THR 138 Ca 0.67 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 1c5i s THR 138 Cb -0.45 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.58 1c5i s THR 138 CO 0.53 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 1c5i n GLY 139 N -1.52 0.74 3.59 3.99 0.00 -0.37 -4.99 105.19 106.63 1c5i n GLY 139 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1c5i n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c5i s SER 140 N -2.87 4.10 -0.49 1.61 0.01 -1.26 -4.91 113.70 109.89 1c5i s SER 140 Ca 0.00 -0.92 -0.28 0.00 1.31 0.00 0.00 55.95 56.06 1c5i s SER 140 Cb 0.00 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.68 1c5i s SER 140 CO 0.00 -0.10 1.54 0.20 0.41 0.00 0.00 173.24 175.29 1c5i s ASN 141 N -3.65 6.03 0.10 2.44 0.01 -1.26 -4.37 114.94 114.24 1c5i s ASN 141 Ca 0.32 0.62 0.03 0.00 -0.71 0.00 0.00 52.86 53.13 1c5i s ASN 141 Cb -0.03 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 1c5i s ASN 141 CO 0.18 -1.72 0.11 0.00 -1.51 0.00 0.00 177.10 174.16 1c5i s ALA 142 N 6.42 3.61 -0.02 0.60 0.00 0.93 -4.96 121.76 128.35 1c5i s ALA 142 Ca 0.62 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 51.59 1c5i s ALA 142 Cb -0.14 -1.46 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 1c5i s ALA 142 CO 0.28 0.70 -0.18 0.99 0.00 0.00 0.00 175.76 177.55 1c5i s THR 143 N -1.48 1.45 -0.30 0.00 2.01 -1.26 -1.12 115.64 114.93 1c5i s THR 143 Ca 0.30 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.56 1c5i s THR 143 Cb -0.12 -1.22 0.08 0.00 0.01 0.00 0.00 72.50 71.26 1c5i s THR 143 CO 0.23 0.41 0.00 -0.63 -0.69 0.00 0.00 174.62 173.94 1c5i s ILE 144 N -0.29 1.98 -1.07 1.82 1.01 0.64 -4.79 121.20 120.50 1c5i s ILE 144 Ca 0.04 -1.90 -0.21 0.00 0.00 0.00 0.00 60.65 58.58 1c5i s ILE 144 Cb -0.08 -2.34 0.08 0.00 0.01 0.00 0.00 42.46 40.12 1c5i s ILE 144 CO 0.00 -0.40 1.44 -0.89 0.00 0.00 0.00 174.94 175.10 1c5i s THR 145 N 1.10 4.18 0.48 2.92 2.01 -1.26 -1.43 115.64 123.64 1c5i s THR 145 Ca 0.04 -1.25 0.19 0.00 0.31 0.00 0.00 61.69 60.98 1c5i s THR 145 Cb -0.19 -5.02 0.36 0.00 0.01 0.00 0.00 72.50 67.66 1c5i s THR 145 CO -0.09 -1.86 1.98 0.15 -0.69 0.00 0.00 174.62 174.11 1c5i h PHE 146 N 9.04 0.24 -0.87 4.92 3.57 -1.86 -1.71 116.94 130.27 1c5i h PHE 146 Ca 0.25 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.86 1c5i h PHE 146 Cb 0.98 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.58 1c5i h PHE 146 CO 1.28 0.10 0.56 0.00 -2.23 0.00 0.00 178.31 178.02 1c5i h THR 147 N 0.21 0.92 -0.75 4.41 1.03 -1.72 -1.02 112.91 115.99 1c5i h THR 147 Ca 0.28 -0.27 -0.06 0.00 -0.01 0.00 0.00 66.41 66.35 1c5i h THR 147 Cb 0.80 0.06 -0.03 0.00 -1.07 0.00 0.00 68.15 67.91 1c5i h THR 147 CO -0.05 0.14 0.25 0.78 -0.01 0.00 0.00 175.52 176.63 1c5i h ASN 148 N 0.79 1.07 -0.12 0.00 -0.26 -1.63 -1.67 115.58 113.77 1c5i h ASN 148 Ca 0.42 -0.20 -0.08 0.00 -0.56 0.00 0.00 56.30 55.87 1c5i h ASN 148 Cb 0.52 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.50 1c5i h ASN 148 CO -0.18 0.99 -0.26 0.45 -1.06 0.00 0.00 177.43 177.37 1c5i h HIS 149 N 1.10 0.49 -0.73 1.19 3.86 -1.39 -2.05 115.15 117.62 1c5i h HIS 149 Ca 0.24 -0.18 0.06 0.00 -1.16 0.00 0.00 60.37 59.34 1c5i h HIS 149 Cb 0.28 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.61 1c5i h HIS 149 CO 0.02 0.87 0.42 0.28 0.86 0.00 0.00 177.93 180.38 1c5i h VAL 150 N -0.04 0.98 -0.43 2.45 2.07 -1.14 0.13 116.25 120.26 1c5i h VAL 150 Ca 0.00 -0.26 -0.14 0.00 0.82 0.00 0.00 66.70 67.13 1c5i h VAL 150 Cb 0.85 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1c5i h VAL 150 CO 0.06 0.14 -0.27 0.78 0.02 0.00 0.00 177.57 178.30 1c5i h ASN 151 N 0.76 0.96 -0.43 0.57 2.35 -1.32 -1.85 115.58 116.61 1c5i h ASN 151 Ca 0.33 -0.38 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 1c5i h ASN 151 Cb 0.20 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1c5i h ASN 151 CO -0.19 1.16 0.13 0.00 -1.65 0.00 0.00 177.43 176.88 1c5i h ALA 152 N 0.90 0.57 -0.80 -0.83 0.00 -0.63 -2.67 119.26 115.80 1c5i h ALA 152 Ca 0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1c5i h ALA 152 Cb 0.84 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1c5i h ALA 152 CO 0.07 0.22 0.39 -1.49 0.00 0.00 0.00 179.25 178.45 1c5i h TRP 153 N 0.56 1.13 -0.72 0.00 6.55 -0.68 -2.76 115.95 120.03 1c5i h TRP 153 Ca 0.14 -0.05 0.00 0.00 0.95 0.00 0.00 58.89 59.94 1c5i h TRP 153 Cb 0.28 -0.35 -0.04 0.00 -0.86 0.00 0.00 29.16 28.19 1c5i h TRP 153 CO 0.01 0.81 0.46 0.87 -1.05 0.00 0.00 178.44 179.55 1c5i h LYS 154 N 1.13 0.96 0.00 0.49 1.57 -1.08 0.29 116.57 119.92 1c5i h LYS 154 Ca 0.28 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1c5i h LYS 154 Cb 0.09 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1c5i h LYS 154 CO -0.04 0.65 0.00 -1.13 -0.57 0.00 0.00 179.45 178.36 1c5i n SER 155 N -4.56 0.00 -0.93 0.86 3.41 -1.03 -1.50 113.62 109.87 1c5i n SER 155 Ca 0.06 0.50 0.06 0.00 -0.26 0.00 0.00 58.87 59.24 1c5i n SER 155 Cb 0.03 -0.50 0.25 0.00 -0.26 0.00 0.00 64.21 63.73 1c5i n SER 155 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1c5i n HIS 156 N -1.50 0.98 -1.12 7.33 8.25 -0.63 -4.94 115.22 123.59 1c5i n HIS 156 Ca 0.03 -1.00 -0.04 0.00 -0.26 0.00 0.00 57.72 56.45 1c5i n HIS 156 Cb 0.14 -0.35 -0.02 0.00 1.12 0.00 0.00 29.99 30.89 1c5i n HIS 156 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c5i n GLY 157 N -0.63 0.66 3.34 -1.41 0.00 -0.56 -4.97 105.19 101.62 1c5i n GLY 157 Ca 0.23 -0.34 -0.46 0.00 0.00 0.00 0.00 46.02 45.45 1c5i n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1c5i s MET 158 N -1.74 3.73 -0.16 1.61 -1.94 0.93 -4.98 119.30 116.75 1c5i s MET 158 Ca 0.00 -2.55 -0.10 0.00 -1.71 0.00 0.00 55.69 51.33 1c5i s MET 158 Cb 0.00 -4.51 -0.05 0.00 2.01 0.00 0.00 34.83 32.29 1c5i s MET 158 CO 0.00 -1.33 0.17 -0.80 -0.01 0.00 0.00 175.02 173.05 1c5i s ASN 159 N 2.13 6.33 0.69 3.03 -0.87 -1.26 -3.35 114.94 121.63 1c5i s ASN 159 Ca 0.22 0.38 -0.10 0.00 -1.57 0.00 0.00 52.86 51.79 1c5i s ASN 159 Cb -0.09 -2.10 0.02 0.00 -0.02 0.00 0.00 41.25 39.05 1c5i s ASN 159 CO -0.09 0.25 1.06 -0.76 -2.57 0.00 0.00 177.10 174.99 1c5i s LEU 160 N -0.15 2.95 1.03 0.60 1.43 -1.26 -4.93 118.68 118.35 1c5i s LEU 160 Ca 0.12 1.01 -0.13 0.00 -1.03 0.00 0.00 54.13 54.11 1c5i s LEU 160 Cb -0.12 -3.79 0.20 0.00 0.03 0.00 0.00 46.19 42.51 1c5i s LEU 160 CO 0.01 -1.31 1.09 -0.83 0.23 0.00 0.00 176.35 175.54 1c5i s GLY 161 N -4.36 1.56 0.17 -3.19 0.00 -1.26 -4.75 107.32 95.48 1c5i s GLY 161 Ca 0.57 -0.39 0.23 0.00 0.00 0.00 0.00 44.72 45.14 1c5i s GLY 161 CO 0.50 0.25 1.08 -1.14 0.00 0.00 0.00 173.10 173.79 1c5i n SER 162 N -4.28 0.78 -4.33 1.64 3.41 -0.83 -4.72 113.62 105.29 1c5i n SER 162 Ca 0.05 0.23 -0.42 0.00 -0.26 0.00 0.00 58.87 58.47 1c5i n SER 162 Cb 0.57 0.47 -0.09 0.00 -0.26 0.00 0.00 64.21 64.90 1c5i n SER 162 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1c5i s ASN 163 N -4.99 5.83 -0.05 4.04 3.84 -0.96 -4.98 114.94 117.68 1c5i s ASN 163 Ca 0.01 -1.32 -0.24 0.00 0.21 0.00 0.00 52.86 51.52 1c5i s ASN 163 Cb 0.11 -2.06 -0.04 0.00 -0.55 0.00 0.00 41.25 38.71 1c5i s ASN 163 CO 0.78 -0.54 0.71 0.26 -2.79 0.00 0.00 177.10 175.52 1c5i s TRP 164 N 1.53 3.61 0.00 0.43 0.52 -1.26 0.45 118.94 124.21 1c5i s TRP 164 Ca 0.03 1.28 0.00 0.00 0.02 0.00 0.00 56.10 57.44 1c5i s TRP 164 Cb -0.22 -2.80 0.00 0.00 -1.15 0.00 0.00 33.47 29.29 1c5i s TRP 164 CO 0.05 0.13 0.00 0.00 0.02 0.00 0.00 176.95 177.14 1c5i n ALA 165 N 3.59 0.00 -0.94 0.98 0.00 -0.65 -4.49 120.51 119.00 1c5i n ALA 165 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 1c5i n ALA 165 Cb 0.51 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.12 1c5i n ALA 165 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1c5i s TYR 166 N 2.14 1.99 -0.19 0.00 -0.85 -1.06 -0.02 117.35 119.37 1c5i s TYR 166 Ca 0.00 1.47 -0.04 0.00 -0.52 0.00 0.00 57.07 57.99 1c5i s TYR 166 Cb 0.00 -3.18 0.09 0.00 0.38 0.00 0.00 41.96 39.24 1c5i s TYR 166 CO 0.00 -2.66 0.25 -1.14 -1.52 0.00 0.00 175.55 170.48 1c5i s GLN 167 N -4.76 0.19 0.06 -3.49 0.74 -0.31 -2.84 119.66 109.25 1c5i s GLN 167 Ca 0.65 0.39 -0.00 0.00 0.05 0.00 0.00 55.36 56.44 1c5i s GLN 167 Cb -0.20 -0.80 -0.04 0.00 1.10 0.00 0.00 33.01 33.07 1c5i s GLN 167 CO 0.58 -0.55 -0.04 0.14 -0.55 0.00 0.00 175.29 174.87 1c5i s VAL 168 N 2.37 0.30 -0.55 1.34 -7.23 0.43 -0.67 120.40 116.40 1c5i s VAL 168 Ca 0.06 -1.74 -0.22 0.00 -1.81 0.00 0.00 61.98 58.27 1c5i s VAL 168 Cb -0.15 -1.42 0.05 0.00 0.56 0.00 0.00 36.38 35.42 1c5i s VAL 168 CO -0.11 -0.92 0.83 -0.32 -0.31 0.00 0.00 175.10 174.26 1c5i s MET 169 N -3.65 3.22 0.48 4.82 1.75 -0.79 0.42 119.30 125.55 1c5i s MET 169 Ca 0.06 -0.59 0.03 0.00 -1.25 0.00 0.00 55.69 53.94 1c5i s MET 169 Cb 0.06 -4.10 -0.03 0.00 2.84 0.00 0.00 34.83 33.59 1c5i s MET 169 CO -0.08 -1.44 0.01 0.00 -0.65 0.00 0.00 175.02 172.85 1c5i s ALA 170 N 3.48 3.84 -0.23 4.11 0.00 0.28 -3.47 121.76 129.77 1c5i s ALA 170 Ca 0.23 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1c5i s ALA 170 Cb -0.16 0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.07 1c5i s ALA 170 CO 0.15 -0.05 -0.14 0.99 0.00 0.00 0.00 175.76 176.71 1c5i s THR 171 N -2.83 2.13 -0.09 0.00 2.01 0.34 -1.40 115.64 115.81 1c5i s THR 171 Ca 0.15 -1.41 0.01 0.00 0.31 0.00 0.00 61.69 60.75 1c5i s THR 171 Cb 0.04 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.39 1c5i s THR 171 CO 0.08 0.15 -0.12 -0.70 -0.69 0.00 0.00 174.62 173.33 1c5i s GLU 172 N 1.16 2.94 0.07 4.92 2.12 -0.60 -1.72 118.70 127.60 1c5i s GLU 172 Ca -0.05 -0.66 0.06 0.00 0.36 0.00 0.00 54.97 54.68 1c5i s GLU 172 Cb -0.18 -2.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.65 1c5i s GLU 172 CO -0.08 0.45 -0.17 0.20 -0.54 0.00 0.00 175.26 175.13 1c5i s GLY 173 N -0.26 0.99 -0.10 -1.50 0.00 -0.96 -0.37 107.32 105.12 1c5i s GLY 173 Ca 0.02 -1.05 -0.03 0.00 0.00 0.00 0.00 44.72 43.66 1c5i s GLY 173 CO 0.03 -1.06 0.05 -0.47 0.00 0.00 0.00 173.10 171.65 1c5i s TYR 174 N -1.13 0.33 -1.28 1.90 5.04 -0.97 -2.17 117.35 119.06 1c5i s TYR 174 Ca 0.02 -0.09 -0.23 0.00 -2.44 0.00 0.00 57.07 54.33 1c5i s TYR 174 Cb -0.10 -0.66 0.02 0.00 0.35 0.00 0.00 41.96 41.58 1c5i s TYR 174 CO 0.03 -0.35 0.55 1.04 -1.34 0.00 0.00 175.55 175.48 1c5i n GLN 175 N 5.24 -0.82 -1.60 4.97 6.02 -0.70 -4.37 117.38 126.12 1c5i n GLN 175 Ca -0.06 0.17 -0.01 0.00 -0.01 0.00 0.00 57.00 57.09 1c5i n GLN 175 Cb 0.49 -3.18 -0.00 0.00 1.02 0.00 0.00 30.24 28.57 1c5i n GLN 175 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1c5i n SER 176 N -2.46 -0.17 -4.18 1.08 3.41 -1.26 -4.70 113.62 105.34 1c5i n SER 176 Ca -0.17 -1.18 -0.11 0.00 -0.26 0.00 0.00 58.87 57.16 1c5i n SER 176 Cb 0.60 0.30 -0.10 0.00 -0.26 0.00 0.00 64.21 64.76 1c5i n SER 176 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1c5i s SER 177 N -1.21 0.61 0.00 4.04 0.01 -1.23 -1.25 113.70 114.67 1c5i s SER 177 Ca 0.02 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.08 1c5i s SER 177 Cb -0.00 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.46 1c5i s SER 177 CO 0.02 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.60 1c5i n GLY 178 N -0.15 -1.38 3.07 3.44 0.00 -0.18 0.14 105.19 110.12 1c5i n GLY 178 Ca -0.06 -1.40 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 1c5i n GLY 178 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c5i s SER 179 N -2.49 0.04 -0.05 1.61 0.01 -0.74 -1.56 113.70 110.51 1c5i s SER 179 Ca 0.00 -0.18 -0.20 0.00 1.31 0.00 0.00 55.95 56.88 1c5i s SER 179 Cb 0.00 0.20 0.04 0.00 0.21 0.00 0.00 66.02 66.47 1c5i s SER 179 CO 0.00 -0.30 0.46 -0.94 0.41 0.00 0.00 173.24 172.86 1c5i s SER 180 N -1.15 -0.39 -0.15 2.44 1.04 -0.52 -0.39 113.70 114.58 1c5i s SER 180 Ca -0.12 0.44 -0.04 0.00 0.48 0.00 0.00 55.95 56.70 1c5i s SER 180 Cb -0.07 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.61 1c5i s SER 180 CO 0.01 -0.45 0.09 0.21 0.98 0.00 0.00 173.24 174.08 1c5i s ASN 181 N -1.02 2.09 0.02 7.02 3.84 0.70 -0.57 114.94 127.02 1c5i s ASN 181 Ca -0.10 -0.47 0.05 0.00 0.21 0.00 0.00 52.86 52.54 1c5i s ASN 181 Cb -0.03 -0.18 -0.02 0.00 -0.55 0.00 0.00 41.25 40.47 1c5i s ASN 181 CO 0.05 -0.33 -0.14 -0.69 -2.79 0.00 0.00 177.10 173.20 1c5i s VAL 182 N 2.16 1.10 -0.16 -5.21 1.01 -0.26 -0.81 120.40 118.22 1c5i s VAL 182 Ca 0.03 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1c5i s VAL 182 Cb -0.15 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.26 1c5i s VAL 182 CO -0.08 0.11 -0.18 -0.89 0.00 0.00 0.00 175.10 174.05 1c5i s THR 183 N -0.67 2.33 -0.01 3.92 2.01 -0.63 -0.75 115.64 121.83 1c5i s THR 183 Ca 0.03 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.21 1c5i s THR 183 Cb -0.07 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 1c5i s THR 183 CO 0.01 0.53 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.62 1c5i s VAL 184 N 1.03 3.01 0.00 3.82 1.01 0.68 -1.25 120.40 128.71 1c5i s VAL 184 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1c5i s VAL 184 Cb -0.15 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1c5i s VAL 184 CO -0.05 0.49 0.00 -2.67 0.00 0.00 0.00 175.10 172.87