#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rit s GLU 2 N 0.00 2.64 -0.07 0.00 2.12 -0.24 -4.92 118.70 118.23 1rit s GLU 2 Ca 0.00 -1.28 0.01 0.00 0.36 0.00 0.00 54.97 54.06 1rit s GLU 2 Cb 0.00 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 1rit s GLU 2 CO 0.00 -0.79 -0.09 0.99 -0.54 0.00 0.00 175.26 174.83 1rit s THR 3 N 1.44 3.54 -0.10 -1.70 2.01 -1.26 -0.96 115.64 118.61 1rit s THR 3 Ca 0.01 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.51 1rit s THR 3 Cb -0.21 -2.44 -0.00 0.00 0.01 0.00 0.00 72.50 69.86 1rit s THR 3 CO 0.03 0.59 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.64 1rit s VAL 4 N -0.67 2.27 -0.13 3.82 1.01 0.11 -4.95 120.40 121.85 1rit s VAL 4 Ca 0.10 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 1rit s VAL 4 Cb -0.11 -1.88 0.04 0.00 0.00 0.00 0.00 36.38 34.43 1rit s VAL 4 CO 0.01 0.56 0.47 -0.94 0.00 0.00 0.00 175.10 175.20 1rit s SER 5 N 0.25 -0.45 0.32 3.32 1.04 -1.26 -0.43 113.70 116.49 1rit s SER 5 Ca -0.15 0.74 -0.06 0.00 0.48 0.00 0.00 55.95 56.96 1rit s SER 5 Cb -0.17 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1rit s SER 5 CO 0.07 -0.29 0.49 0.72 0.98 0.00 0.00 173.24 175.22 1rit s PHE 6 N -0.30 0.80 -0.29 5.02 -0.12 0.05 -4.99 117.98 118.15 1rit s PHE 6 Ca -0.05 -1.11 -0.14 0.00 -0.05 0.00 0.00 56.93 55.59 1rit s PHE 6 Cb -0.03 0.06 0.12 0.00 -0.63 0.00 0.00 43.02 42.53 1rit s PHE 6 CO 0.03 -1.12 0.75 1.21 -0.05 0.00 0.00 175.22 176.03 1rit s ASN 7 N -3.16 -0.91 -0.08 1.98 2.47 -1.26 -1.51 114.94 112.47 1rit s ASN 7 Ca 0.27 1.36 0.05 0.00 0.42 0.00 0.00 52.86 54.96 1rit s ASN 7 Cb -0.01 1.69 -0.01 0.00 -1.45 0.00 0.00 41.25 41.48 1rit s ASN 7 CO 0.16 -0.20 -0.24 -0.36 -3.72 0.00 0.00 177.10 172.73 1rit s PHE 8 N 2.09 2.49 -0.62 0.43 0.08 0.15 -4.97 117.98 117.63 1rit s PHE 8 Ca -0.08 -0.87 0.09 0.00 0.12 0.00 0.00 56.93 56.19 1rit s PHE 8 Cb -0.07 -1.64 -0.05 0.00 -0.57 0.00 0.00 43.02 40.68 1rit s PHE 8 CO -0.19 -0.31 0.48 0.09 -0.10 0.00 0.00 175.22 175.19 1rit n ASN 9 N 3.22 0.76 -3.64 1.36 3.02 -1.26 -2.15 115.26 116.58 1rit n ASN 9 Ca -0.18 -0.88 -0.04 0.00 -0.03 0.00 0.00 54.58 53.45 1rit n ASN 9 Cb 0.52 0.75 -0.06 0.00 -0.61 0.00 0.00 39.78 40.39 1rit n ASN 9 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1rit s SER 10 N -1.58 -0.12 0.41 6.41 1.04 -1.26 -4.78 113.70 113.83 1rit s SER 10 Ca 0.05 0.18 0.08 0.00 0.48 0.00 0.00 55.95 56.73 1rit s SER 10 Cb 0.07 0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 1rit s SER 10 CO 0.30 -0.07 0.30 -0.36 0.98 0.00 0.00 173.24 174.38 1rit s PHE 11 N -0.52 2.68 0.02 5.02 0.40 0.77 -5.03 117.98 121.33 1rit s PHE 11 Ca 0.07 -0.51 -0.07 0.00 -0.60 0.00 0.00 56.93 55.82 1rit s PHE 11 Cb -0.03 -2.06 -0.00 0.00 0.51 0.00 0.00 43.02 41.44 1rit s PHE 11 CO -0.10 0.02 0.13 -1.54 0.70 0.00 0.00 175.22 174.43 1rit s SER 12 N -4.03 0.08 0.17 1.36 1.04 -1.26 -4.51 113.70 106.55 1rit s SER 12 Ca 0.45 -0.34 -0.12 0.00 0.48 0.00 0.00 55.95 56.42 1rit s SER 12 Cb -0.01 0.22 0.07 0.00 0.10 0.00 0.00 66.02 66.40 1rit s SER 12 CO 0.26 -0.44 1.71 -0.33 0.98 0.00 0.00 173.24 175.42 1rit h GLU 13 N 3.97 0.90 -1.93 4.02 5.08 -1.98 -3.21 114.58 121.43 1rit h GLU 13 Ca -0.32 -0.18 -0.31 0.00 -1.00 0.00 0.00 59.36 57.55 1rit h GLU 13 Cb 1.19 -0.14 -0.12 0.00 0.50 0.00 0.00 28.75 30.19 1rit h GLU 13 CO 0.45 0.79 0.08 0.41 -1.00 0.00 0.00 179.01 179.73 1rit n GLY 14 N -0.77 3.65 3.00 -3.84 0.00 -1.26 -4.78 105.19 101.20 1rit n GLY 14 Ca 0.03 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 1rit n GLY 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rit s ASN 15 N 1.07 4.63 0.00 1.61 3.04 -1.21 -4.98 114.94 119.10 1rit s ASN 15 Ca 0.52 -1.97 0.00 0.00 0.04 0.00 0.00 52.86 51.44 1rit s ASN 15 Cb 0.30 -1.54 0.00 0.00 -1.54 0.00 0.00 41.25 38.47 1rit s ASN 15 CO -0.09 -0.35 0.72 -0.81 -3.04 0.00 0.00 177.10 173.53 1rit n PRO 16 N 4.34 0.00 0.00 0.43 -0.04 -1.26 -1.63 135.00 136.84 1rit n PRO 16 Ca 0.00 0.23 0.13 0.00 -0.04 0.00 0.00 63.50 63.82 1rit n PRO 16 Cb 0.42 -1.51 0.40 0.00 -0.04 0.00 0.00 33.50 32.77 1rit n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rit n ALA 17 N -1.22 3.13 -3.57 0.55 0.00 -1.26 -4.69 120.51 113.45 1rit n ALA 17 Ca 0.00 -0.32 -0.27 0.00 0.00 0.00 0.00 53.44 52.85 1rit n ALA 17 Cb 0.01 -1.21 -0.17 0.00 0.00 0.00 0.00 19.45 18.09 1rit n ALA 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1rit s ILE 18 N -2.76 1.35 -0.27 0.00 1.01 -0.64 0.78 121.20 120.66 1rit s ILE 18 Ca 0.18 -0.57 -0.13 0.00 0.00 0.00 0.00 60.65 60.13 1rit s ILE 18 Cb 0.19 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 1rit s ILE 18 CO 0.59 0.41 0.30 0.20 0.00 0.00 0.00 174.94 176.44 1rit s ASN 19 N 0.87 6.17 -0.60 3.58 0.01 0.18 -4.80 114.94 120.36 1rit s ASN 19 Ca -0.10 0.18 -0.16 0.00 -0.71 0.00 0.00 52.86 52.07 1rit s ASN 19 Cb -0.15 -2.18 0.14 0.00 0.41 0.00 0.00 41.25 39.47 1rit s ASN 19 CO 0.01 -0.13 0.57 -0.36 -1.51 0.00 0.00 177.10 175.68 1rit s PHE 20 N 1.94 3.32 -0.21 2.20 0.08 -1.26 -0.34 117.98 123.71 1rit s PHE 20 Ca 0.12 -1.39 -0.09 0.00 0.12 0.00 0.00 56.93 55.69 1rit s PHE 20 Cb -0.16 -3.83 -0.04 0.00 -0.57 0.00 0.00 43.02 38.42 1rit s PHE 20 CO 0.10 -1.04 0.11 -0.65 -0.10 0.00 0.00 175.22 173.64 1rit s GLN 21 N 1.44 4.04 0.51 0.44 -0.21 -0.36 -4.93 119.66 120.59 1rit s GLN 21 Ca 0.07 -0.30 0.00 0.00 0.02 0.00 0.00 55.36 55.15 1rit s GLN 21 Cb -0.26 -3.36 0.00 0.00 1.00 0.00 0.00 33.01 30.40 1rit s GLN 21 CO 0.01 0.20 0.00 0.41 -2.12 0.00 0.00 175.29 173.79 1rit n GLY 22 N 3.79 -1.88 0.50 3.09 0.00 -1.26 0.79 105.19 110.23 1rit n GLY 22 Ca -0.16 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1rit n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rit n ASP 23 N 0.48 0.00 -4.71 1.61 8.00 0.14 -4.79 116.55 117.28 1rit n ASP 23 Ca 0.00 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.14 1rit n ASP 23 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.19 1rit n ASP 23 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1rit n VAL 24 N 0.45 3.73 -3.61 2.53 0.31 -1.20 -4.10 118.33 116.44 1rit n VAL 24 Ca 0.00 -0.38 -0.14 0.00 -0.01 0.00 0.00 64.34 63.81 1rit n VAL 24 Cb 0.00 -1.36 -0.07 0.00 -0.91 0.00 0.00 33.84 31.51 1rit n VAL 24 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1rit s THR 25 N -1.69 0.00 -0.34 2.52 -1.32 -0.63 -5.00 115.64 109.18 1rit s THR 25 Ca 0.79 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 61.19 1rit s THR 25 Cb -0.35 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.68 1rit s THR 25 CO 0.45 0.00 0.13 -0.69 -2.21 0.00 0.00 174.62 172.30 1rit s VAL 26 N -0.07 3.99 1.05 5.08 1.01 -1.26 0.70 120.40 130.90 1rit s VAL 26 Ca -0.02 -1.04 -0.12 0.00 0.00 0.00 0.00 61.98 60.81 1rit s VAL 26 Cb -0.04 -3.24 0.22 0.00 0.00 0.00 0.00 36.38 33.32 1rit s VAL 26 CO 0.02 -0.18 1.07 -0.76 0.00 0.00 0.00 175.10 175.25 1rit s LEU 27 N 1.45 1.61 0.58 3.92 1.43 -0.31 -4.90 118.68 122.46 1rit s LEU 27 Ca -0.01 1.67 0.39 0.00 -1.03 0.00 0.00 54.13 55.15 1rit s LEU 27 Cb -0.19 -3.79 1.99 0.00 0.03 0.00 0.00 46.19 44.22 1rit s LEU 27 CO 0.04 -3.62 2.18 0.77 0.23 0.00 0.00 176.35 175.94 1rit h SER 28 N -2.22 0.00 -0.52 2.29 4.64 -1.99 -2.35 113.55 113.40 1rit h SER 28 Ca -0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 1rit h SER 28 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1rit h SER 28 CO 0.49 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.99 1rit n ASN 29 N -2.95 4.91 0.00 4.97 6.94 -1.26 -4.93 115.26 122.94 1rit n ASN 29 Ca -0.02 -2.70 0.00 0.00 -0.02 0.00 0.00 54.58 51.84 1rit n ASN 29 Cb 0.13 -0.63 0.00 0.00 -2.36 0.00 0.00 39.78 36.91 1rit n ASN 29 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rit n GLY 30 N 0.68 1.67 3.86 4.83 0.00 -0.88 -4.93 105.19 110.42 1rit n GLY 30 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 1rit n GLY 30 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rit s ASN 31 N -3.34 6.50 -0.16 1.61 0.02 -1.26 -0.16 114.94 118.16 1rit s ASN 31 Ca 0.00 1.34 -0.06 0.00 -1.02 0.00 0.00 52.86 53.12 1rit s ASN 31 Cb 0.00 -2.42 -0.04 0.00 0.02 0.00 0.00 41.25 38.81 1rit s ASN 31 CO 0.00 -0.56 0.06 -0.63 0.02 0.00 0.00 177.10 175.98 1rit s ILE 32 N -2.63 4.75 -0.39 0.60 1.01 -0.82 -1.16 121.20 122.55 1rit s ILE 32 Ca 0.55 -0.06 -0.03 0.00 0.00 0.00 0.00 60.65 61.11 1rit s ILE 32 Cb -0.10 -3.11 0.10 0.00 0.01 0.00 0.00 42.46 39.36 1rit s ILE 32 CO 0.36 0.50 0.18 -1.58 0.00 0.00 0.00 174.94 174.40 1rit s GLN 33 N 0.01 2.10 0.32 2.79 0.74 0.22 -1.67 119.66 124.17 1rit s GLN 33 Ca 0.06 -1.72 0.02 0.00 0.05 0.00 0.00 55.36 53.76 1rit s GLN 33 Cb -0.12 -3.54 0.58 0.00 1.10 0.00 0.00 33.01 31.03 1rit s GLN 33 CO 0.01 -1.00 1.94 -0.07 -0.55 0.00 0.00 175.29 175.62 1rit h LEU 34 N 8.07 0.83 -9.56 3.68 3.38 -1.73 -1.68 115.31 118.30 1rit h LEU 34 Ca -0.15 -0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.23 1rit h LEU 34 Cb 1.05 -0.18 -0.11 0.00 0.09 0.00 0.00 40.66 41.51 1rit h LEU 34 CO 0.68 0.55 -0.63 0.42 0.09 0.00 0.00 178.44 179.55 1rit s THR 35 N -5.83 2.62 -0.23 0.22 -4.23 -1.26 -2.73 115.64 104.20 1rit s THR 35 Ca -0.11 -2.02 -0.09 0.00 -1.18 0.00 0.00 61.69 58.30 1rit s THR 35 Cb 0.19 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 1rit s THR 35 CO 0.79 -0.22 0.11 0.21 -0.54 0.00 0.00 174.62 174.97 1rit s ASN 36 N -3.69 5.65 0.18 3.99 3.84 -1.26 -4.89 114.94 118.76 1rit s ASN 36 Ca 0.34 -0.01 0.21 0.00 0.21 0.00 0.00 52.86 53.61 1rit s ASN 36 Cb -0.00 -2.01 0.87 0.00 -0.55 0.00 0.00 41.25 39.56 1rit s ASN 36 CO 0.19 0.05 1.64 0.18 -2.79 0.00 0.00 177.10 176.37 1rit n LEU 37 N 4.35 0.47 -0.01 3.21 4.32 -1.26 -3.38 117.00 124.70 1rit n LEU 37 Ca -0.16 0.62 0.10 0.00 -0.02 0.00 0.00 56.01 56.55 1rit n LEU 37 Cb 0.52 -0.56 -0.15 0.00 -1.62 0.00 0.00 43.42 41.61 1rit n LEU 37 CO 0.34 -0.48 -0.69 0.59 -1.22 0.00 0.00 177.39 175.93 1rit n ASN 38 N -2.02 0.38 -4.89 -1.43 3.02 -1.26 -4.98 115.26 104.08 1rit n ASN 38 Ca 0.02 -0.08 -0.30 0.00 -0.03 0.00 0.00 54.58 54.20 1rit n ASN 38 Cb 0.21 1.86 0.05 0.00 -0.61 0.00 0.00 39.78 41.28 1rit n ASN 38 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1rit s LYS 39 N -3.37 2.83 -0.05 3.52 1.02 -1.22 -5.04 119.74 117.44 1rit s LYS 39 Ca -0.06 0.39 -0.01 0.00 0.02 0.00 0.00 55.97 56.32 1rit s LYS 39 Cb 0.13 -2.05 -0.00 0.00 -0.52 0.00 0.00 37.83 35.39 1rit s LYS 39 CO 0.85 -1.02 -0.01 0.28 -0.92 0.00 0.00 175.35 174.53 1rit h VAL 40 N -0.61 0.00 -2.06 3.17 2.07 -1.89 -3.39 116.25 113.54 1rit h VAL 40 Ca -0.45 -0.44 -0.74 0.00 0.82 0.00 0.00 66.70 65.89 1rit h VAL 40 Cb 1.26 0.00 -0.31 0.00 -1.52 0.00 0.00 31.29 30.72 1rit h VAL 40 CO 0.64 0.00 0.60 0.59 0.02 0.00 0.00 177.57 179.42 1rit n ASN 41 N -3.24 6.71 -4.67 0.57 5.03 -1.26 -3.65 115.26 114.75 1rit n ASN 41 Ca -0.00 -3.75 -0.46 0.00 0.87 0.00 0.00 54.58 51.24 1rit n ASN 41 Cb 0.01 -0.96 -0.04 0.00 -1.02 0.00 0.00 39.78 37.77 1rit n ASN 41 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1rit n SER 42 N -0.32 3.17 -3.85 6.41 2.88 -1.26 -4.43 113.62 116.22 1rit n SER 42 Ca 0.47 1.08 -0.17 0.00 -1.33 0.00 0.00 58.87 58.91 1rit n SER 42 Cb 0.32 -1.44 -0.16 0.00 -0.75 0.00 0.00 64.21 62.18 1rit n SER 42 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1rit s VAL 43 N 1.02 0.26 0.09 2.46 1.01 -1.26 -2.03 120.40 121.96 1rit s VAL 43 Ca 0.79 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.82 1rit s VAL 43 Cb -0.67 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1rit s VAL 43 CO 0.38 0.15 -0.12 -0.83 0.00 0.00 0.00 175.10 174.68 1rit s GLY 44 N 0.84 0.89 0.03 4.51 0.00 -1.10 0.26 107.32 112.74 1rit s GLY 44 Ca -0.09 -1.14 -0.21 0.00 0.00 0.00 0.00 44.72 43.29 1rit s GLY 44 CO -0.01 -1.19 0.47 0.50 0.00 0.00 0.00 173.10 172.86 1rit s ARG 45 N -2.39 0.96 -0.11 2.90 0.52 0.24 -2.37 118.95 118.70 1rit s ARG 45 Ca 0.03 -0.25 -0.04 0.00 -0.52 0.00 0.00 55.73 54.95 1rit s ARG 45 Cb -0.06 0.43 0.05 0.00 0.52 0.00 0.00 34.95 35.90 1rit s ARG 45 CO 0.01 -0.33 0.22 0.54 0.02 0.00 0.00 175.30 175.76 1rit s VAL 46 N -2.28 -0.25 0.16 3.52 0.11 -0.65 -1.23 120.40 119.78 1rit s VAL 46 Ca -0.06 0.26 0.10 0.00 -2.93 0.00 0.00 61.98 59.34 1rit s VAL 46 Cb -0.01 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 1rit s VAL 46 CO -0.01 0.11 -0.17 -0.76 -3.33 0.00 0.00 175.10 170.94 1rit s LEU 47 N 1.98 2.70 -0.11 2.54 1.43 0.54 -1.26 118.68 126.49 1rit s LEU 47 Ca -0.02 -0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 52.13 1rit s LEU 47 Cb -0.12 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 1rit s LEU 47 CO -0.08 0.14 1.22 -0.47 0.23 0.00 0.00 176.35 177.39 1rit s TYR 48 N -1.44 3.06 0.04 0.29 5.04 -0.39 0.50 117.35 124.45 1rit s TYR 48 Ca 0.20 1.15 -0.08 0.00 -2.44 0.00 0.00 57.07 55.90 1rit s TYR 48 Cb -0.09 -3.45 -0.02 0.00 0.35 0.00 0.00 41.96 38.75 1rit s TYR 48 CO 0.11 -1.42 1.13 0.00 -1.34 0.00 0.00 175.55 174.03 1rit h ALA 49 N 7.75 -0.18 -2.84 3.97 0.00 0.09 -3.42 119.26 124.63 1rit h ALA 49 Ca -0.30 0.02 -0.52 0.00 0.00 0.00 0.00 54.91 54.11 1rit h ALA 49 Cb 1.13 1.04 0.06 0.00 0.00 0.00 0.00 17.79 20.03 1rit h ALA 49 CO 0.92 -0.28 0.64 1.41 0.00 0.00 0.00 179.25 181.95 1rit s MET 50 N -3.61 4.37 0.49 0.00 -2.45 -1.26 -4.97 119.30 111.86 1rit s MET 50 Ca -0.03 2.19 -0.20 0.00 -1.25 0.00 0.00 55.69 56.39 1rit s MET 50 Cb 0.03 -3.09 -0.08 0.00 1.25 0.00 0.00 34.83 32.93 1rit s MET 50 CO 0.15 -0.20 1.05 -2.14 1.05 0.00 0.00 175.02 174.94 1rit s PRO 51 N -1.45 3.73 -0.09 4.11 0.02 -1.26 -4.86 135.00 135.21 1rit s PRO 51 Ca 0.51 1.40 0.04 0.00 0.02 0.00 0.00 61.00 62.97 1rit s PRO 51 Cb -0.39 -2.08 -0.00 0.00 0.02 0.00 0.00 34.50 32.04 1rit s PRO 51 CO 0.50 -0.50 -0.24 0.08 -0.33 0.00 0.00 177.00 176.51 1rit s VAL 52 N -1.94 2.05 -0.79 3.83 1.01 0.37 -4.93 120.40 120.00 1rit s VAL 52 Ca 0.68 -1.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.41 1rit s VAL 52 Cb -0.18 -1.76 0.07 0.00 0.00 0.00 0.00 36.38 34.51 1rit s VAL 52 CO 0.21 0.56 1.15 -0.60 0.00 0.00 0.00 175.10 176.42 1rit s ARG 53 N 0.25 3.30 0.43 2.72 3.52 -1.26 -1.61 118.95 126.30 1rit s ARG 53 Ca -0.16 -0.90 0.23 0.00 -0.13 0.00 0.00 55.73 54.77 1rit s ARG 53 Cb -0.17 -4.53 0.40 0.00 -1.56 0.00 0.00 34.95 29.09 1rit s ARG 53 CO 0.08 -1.96 1.63 -0.84 -0.81 0.00 0.00 175.30 173.40 1rit h ILE 54 N 6.10 0.10 -2.68 4.11 3.07 -1.74 -3.45 117.51 123.01 1rit h ILE 54 Ca -0.12 -1.09 -0.12 0.00 1.55 0.00 0.00 64.86 65.08 1rit h ILE 54 Cb 1.05 2.00 -0.25 0.00 -0.27 0.00 0.00 36.82 39.35 1rit h ILE 54 CO 1.23 0.05 -0.24 -1.66 -1.05 0.00 0.00 178.15 176.49 1rit s TRP 55 N -3.23 -0.51 0.01 0.16 1.48 -1.25 0.93 118.94 116.54 1rit s TRP 55 Ca 0.06 1.19 -0.24 0.00 -1.06 0.00 0.00 56.10 56.05 1rit s TRP 55 Cb 0.06 0.19 -0.05 0.00 -1.16 0.00 0.00 33.47 32.51 1rit s TRP 55 CO 0.67 -0.26 0.74 0.45 -4.06 0.00 0.00 176.95 174.49 1rit s SER 56 N 0.54 7.14 -0.01 -2.66 0.15 -0.25 -4.71 113.70 113.90 1rit s SER 56 Ca -0.03 1.37 -0.25 0.00 0.70 0.00 0.00 55.95 57.74 1rit s SER 56 Cb -0.04 -2.45 -0.20 0.00 -1.71 0.00 0.00 66.02 61.62 1rit s SER 56 CO -0.03 -0.02 1.28 0.77 1.20 0.00 0.00 173.24 176.45 1rit h SER 57 N 5.95 0.04 -0.28 5.45 4.64 -2.00 -3.30 113.55 124.06 1rit h SER 57 Ca -0.43 -0.48 0.05 0.00 -0.47 0.00 0.00 61.79 60.46 1rit h SER 57 Cb 1.20 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 1rit h SER 57 CO 0.72 0.51 -0.05 0.00 -0.87 0.00 0.00 176.83 177.14 1rit h ALA 58 N 0.53 0.20 -3.29 5.18 0.00 -1.98 -3.40 119.26 116.50 1rit h ALA 58 Ca 0.00 0.10 -0.65 0.00 0.00 0.00 0.00 54.91 54.37 1rit h ALA 58 Cb 0.50 0.19 -0.25 0.00 0.00 0.00 0.00 17.79 18.23 1rit h ALA 58 CO 0.00 -0.45 -0.72 0.95 0.00 0.00 0.00 179.25 179.03 1rit s THR 59 N -6.20 3.42 0.00 0.00 -4.23 -1.24 -4.97 115.64 102.41 1rit s THR 59 Ca -0.13 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 1rit s THR 59 Cb 0.12 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1rit s THR 59 CO 0.69 0.51 0.24 0.61 -0.54 0.00 0.00 174.62 176.13 1rit n GLY 60 N 3.61 0.54 3.85 3.99 0.00 -1.26 -3.98 105.19 111.94 1rit n GLY 60 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1rit n GLY 60 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rit s ASN 61 N 1.42 6.81 0.10 1.61 0.02 -1.26 -4.96 114.94 118.69 1rit s ASN 61 Ca 0.00 1.24 0.05 0.00 -1.02 0.00 0.00 52.86 53.12 1rit s ASN 61 Cb 0.00 -2.35 -0.03 0.00 0.02 0.00 0.00 41.25 38.88 1rit s ASN 61 CO 0.00 -0.11 -0.12 -0.69 0.02 0.00 0.00 177.10 176.20 1rit s VAL 62 N -1.82 1.09 0.47 1.60 1.01 -1.26 -1.09 120.40 120.40 1rit s VAL 62 Ca 0.49 -1.58 -0.08 0.00 0.00 0.00 0.00 61.98 60.81 1rit s VAL 62 Cb -0.12 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 1rit s VAL 62 CO 0.19 -0.44 0.82 0.00 0.00 0.00 0.00 175.10 175.67 1rit s ALA 63 N -2.06 3.33 0.06 5.51 0.00 0.26 -4.69 121.76 124.17 1rit s ALA 63 Ca 0.04 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.73 1rit s ALA 63 Cb -0.05 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 1rit s ALA 63 CO 0.01 -0.27 0.04 -1.12 0.00 0.00 0.00 175.76 174.42 1rit s SER 64 N -3.73 5.28 -0.08 0.00 0.01 -1.09 -4.33 113.70 109.77 1rit s SER 64 Ca 0.50 -0.06 -0.14 0.00 1.31 0.00 0.00 55.95 57.56 1rit s SER 64 Cb -0.10 -1.36 0.03 0.00 0.21 0.00 0.00 66.02 64.79 1rit s SER 64 CO 0.41 0.20 0.36 0.72 0.41 0.00 0.00 173.24 175.33 1rit s PHE 65 N -1.29 -0.32 -0.07 2.43 -0.12 -1.07 -1.29 117.98 116.25 1rit s PHE 65 Ca 0.26 0.69 0.05 0.00 -0.05 0.00 0.00 56.93 57.87 1rit s PHE 65 Cb -0.12 0.13 -0.00 0.00 -0.63 0.00 0.00 43.02 42.40 1rit s PHE 65 CO 0.18 -0.29 -0.22 -1.17 -0.05 0.00 0.00 175.22 173.67 1rit s LEU 66 N -0.51 2.00 -0.05 -1.99 2.96 0.19 -1.61 118.68 119.67 1rit s LEU 66 Ca -0.06 -0.47 -0.20 0.00 -0.22 0.00 0.00 54.13 53.17 1rit s LEU 66 Cb -0.04 -1.24 0.04 0.00 0.50 0.00 0.00 46.19 45.45 1rit s LEU 66 CO 0.02 0.18 0.45 0.28 -1.32 0.00 0.00 176.35 175.97 1rit s THR 67 N 0.09 0.03 -0.12 3.68 -1.32 -0.80 -1.34 115.64 115.87 1rit s THR 67 Ca -0.09 -0.26 -0.12 0.00 -1.21 0.00 0.00 61.69 60.02 1rit s THR 67 Cb -0.15 -0.75 0.03 0.00 -1.51 0.00 0.00 72.50 70.13 1rit s THR 67 CO 0.05 -0.14 0.33 -0.94 -2.21 0.00 0.00 174.62 171.71 1rit s SER 68 N -1.08 -0.34 0.15 8.08 1.04 -0.92 -0.48 113.70 120.14 1rit s SER 68 Ca -0.11 0.63 -0.10 0.00 0.48 0.00 0.00 55.95 56.85 1rit s SER 68 Cb -0.03 0.66 -0.00 0.00 0.10 0.00 0.00 66.02 66.74 1rit s SER 68 CO 0.06 -0.14 0.28 0.72 0.98 0.00 0.00 173.24 175.14 1rit s PHE 69 N 0.07 0.29 -0.01 5.02 -0.12 -0.29 -1.93 117.98 121.01 1rit s PHE 69 Ca -0.01 -0.67 0.03 0.00 -0.05 0.00 0.00 56.93 56.23 1rit s PHE 69 Cb -0.03 -0.02 -0.00 0.00 -0.63 0.00 0.00 43.02 42.34 1rit s PHE 69 CO 0.01 -0.69 -0.10 -1.54 -0.05 0.00 0.00 175.22 172.85 1rit s SER 70 N -2.93 1.20 0.35 1.98 1.04 -1.08 0.48 113.70 114.74 1rit s SER 70 Ca 0.13 -0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.41 1rit s SER 70 Cb 0.03 -0.20 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 1rit s SER 70 CO -0.03 0.11 0.14 0.72 0.98 0.00 0.00 173.24 175.15 1rit s PHE 71 N -0.10 1.73 -0.11 5.02 -0.12 -0.71 -0.34 117.98 123.35 1rit s PHE 71 Ca 0.02 -1.29 -0.05 0.00 -0.05 0.00 0.00 56.93 55.56 1rit s PHE 71 Cb -0.05 -1.03 0.05 0.00 -0.63 0.00 0.00 43.02 41.36 1rit s PHE 71 CO -0.00 -0.37 0.25 -2.00 -0.05 0.00 0.00 175.22 173.04 1rit s GLU 72 N -3.77 0.18 -0.04 1.99 2.12 0.03 -1.07 118.70 118.14 1rit s GLU 72 Ca 0.31 0.60 0.05 0.00 0.36 0.00 0.00 54.97 56.29 1rit s GLU 72 Cb 0.04 -0.10 -0.02 0.00 0.26 0.00 0.00 34.13 34.31 1rit s GLU 72 CO 0.16 -0.20 -0.19 -1.64 -0.54 0.00 0.00 175.26 172.85 1rit s MET 73 N 1.64 2.34 0.06 4.30 -1.94 -1.25 -0.68 119.30 123.77 1rit s MET 73 Ca -0.06 -0.79 0.02 0.00 -1.71 0.00 0.00 55.69 53.15 1rit s MET 73 Cb -0.11 -2.25 -0.03 0.00 2.01 0.00 0.00 34.83 34.45 1rit s MET 73 CO -0.08 0.60 -0.08 0.21 -0.01 0.00 0.00 175.02 175.66 1rit s LYS 74 N -0.72 0.63 0.10 2.03 2.20 -0.55 -0.37 119.74 123.06 1rit s LYS 74 Ca 0.11 -0.94 -0.22 0.00 -0.36 0.00 0.00 55.97 54.57 1rit s LYS 74 Cb -0.10 -0.28 -0.07 0.00 -1.51 0.00 0.00 37.83 35.87 1rit s LYS 74 CO 0.00 0.03 0.65 -0.51 -0.36 0.00 0.00 175.35 175.16 1rit s ASP 75 N -2.03 7.18 -0.09 1.43 1.01 -1.26 -1.88 116.67 121.04 1rit s ASP 75 Ca -0.03 1.39 -0.00 0.00 0.71 0.00 0.00 52.55 54.62 1rit s ASP 75 Cb -0.05 -2.41 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1rit s ASP 75 CO -0.01 0.23 -0.05 0.27 0.21 0.00 0.00 175.17 175.82 1rit s ILE 76 N -1.02 3.82 0.48 0.77 -4.36 -1.26 -4.90 121.20 114.73 1rit s ILE 76 Ca 0.32 -0.42 -0.23 0.00 -0.26 0.00 0.00 60.65 60.05 1rit s ILE 76 Cb -0.21 -2.59 -0.08 0.00 1.25 0.00 0.00 42.46 40.83 1rit s ILE 76 CO 0.22 0.58 1.18 1.17 0.24 0.00 0.00 174.94 178.33 1rit n LYS 77 N 2.43 1.59 -1.28 0.37 4.81 -1.26 -2.98 118.16 121.84 1rit n LYS 77 Ca -0.18 0.57 -0.10 0.00 -0.87 0.00 0.00 58.31 57.74 1rit n LYS 77 Cb 0.53 -2.32 -0.04 0.00 0.02 0.00 0.00 35.03 33.22 1rit n LYS 77 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1rit n ASP 78 N -0.14 -4.82 -3.86 3.14 8.00 -1.26 -5.00 116.55 112.61 1rit n ASP 78 Ca 0.09 0.24 -0.12 0.00 0.71 0.00 0.00 54.79 55.71 1rit n ASP 78 Cb 0.42 -3.15 -0.14 0.00 -0.02 0.00 0.00 41.12 38.23 1rit n ASP 78 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1rit s TYR 79 N -2.13 -0.03 0.14 1.24 2.02 -1.16 -5.04 117.35 112.39 1rit s TYR 79 Ca 0.00 0.08 -0.31 0.00 -0.37 0.00 0.00 57.07 56.47 1rit s TYR 79 Cb 0.00 0.01 -0.09 0.00 -0.40 0.00 0.00 41.96 41.47 1rit s TYR 79 CO 0.00 -0.03 1.56 -0.51 -1.57 0.00 0.00 175.55 175.00 1rit s ASP 80 N -0.03 6.62 -0.59 2.29 1.11 0.91 -4.60 116.67 122.37 1rit s ASP 80 Ca -0.01 2.56 -0.26 0.00 0.18 0.00 0.00 52.55 55.02 1rit s ASP 80 Cb -0.01 -2.59 -0.05 0.00 1.07 0.00 0.00 42.92 41.35 1rit s ASP 80 CO 0.00 -0.81 2.12 -2.84 1.18 0.00 0.00 175.17 174.82 1rit s PRO 81 N 1.36 2.34 0.22 8.23 0.02 -1.26 0.30 135.00 146.21 1rit s PRO 81 Ca 0.70 0.86 -0.18 0.00 0.02 0.00 0.00 61.00 62.40 1rit s PRO 81 Cb -0.42 -4.54 0.02 0.00 0.02 0.00 0.00 34.50 29.58 1rit s PRO 81 CO 0.31 -3.10 0.56 0.00 -0.33 0.00 0.00 177.00 174.43 1rit s ALA 82 N 10.76 -0.91 -0.41 -1.55 0.00 -1.26 -4.60 121.76 123.78 1rit s ALA 82 Ca 0.81 -0.31 0.14 0.00 0.00 0.00 0.00 51.96 52.61 1rit s ALA 82 Cb -0.14 0.89 -0.18 0.00 0.00 0.00 0.00 23.12 23.68 1rit s ALA 82 CO 0.21 -0.85 0.49 -0.25 0.00 0.00 0.00 175.76 175.36 1rit n ASP 83 N -0.37 1.05 0.00 0.00 8.00 0.12 -2.75 116.55 122.61 1rit n ASP 83 Ca -0.08 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.92 1rit n ASP 83 Cb 0.62 1.27 0.00 0.00 -0.02 0.00 0.00 41.12 42.98 1rit n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rit n GLY 84 N 1.47 0.81 3.25 0.44 0.00 -1.26 -2.10 105.19 107.80 1rit n GLY 84 Ca 0.01 -2.11 -0.19 0.00 0.00 0.00 0.00 46.02 43.72 1rit n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rit s ILE 85 N -1.03 1.40 -0.04 -0.61 1.01 -1.00 -3.57 121.20 117.36 1rit s ILE 85 Ca 0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 60.65 58.92 1rit s ILE 85 Cb 0.00 -1.54 0.02 0.00 0.01 0.00 0.00 42.46 40.95 1rit s ILE 85 CO 0.00 -0.37 0.10 -0.51 0.00 0.00 0.00 174.94 174.17 1rit s ILE 86 N -2.00 -0.02 -0.38 2.92 2.07 -0.61 0.06 121.20 123.24 1rit s ILE 86 Ca 0.09 0.06 -0.15 0.00 -1.41 0.00 0.00 60.65 59.24 1rit s ILE 86 Cb -0.06 -0.16 0.00 0.00 0.13 0.00 0.00 42.46 42.38 1rit s ILE 86 CO 0.03 0.03 0.32 0.12 -1.91 0.00 0.00 174.94 173.53 1rit s PHE 87 N 0.42 3.22 0.32 3.50 5.36 -0.90 -1.92 117.98 127.97 1rit s PHE 87 Ca -0.03 -0.32 0.10 0.00 -0.96 0.00 0.00 56.93 55.72 1rit s PHE 87 Cb -0.04 -2.62 -0.06 0.00 -0.34 0.00 0.00 43.02 39.95 1rit s PHE 87 CO -0.02 -0.50 -0.11 -0.59 -1.46 0.00 0.00 175.22 172.54 1rit s PHE 88 N 1.84 2.31 -0.11 10.12 -0.71 0.23 -0.13 117.98 131.53 1rit s PHE 88 Ca 0.08 -0.49 0.01 0.00 -1.04 0.00 0.00 56.93 55.48 1rit s PHE 88 Cb -0.18 -1.27 0.02 0.00 -1.21 0.00 0.00 43.02 40.38 1rit s PHE 88 CO 0.11 0.57 -0.12 0.42 -1.34 0.00 0.00 175.22 174.86 1rit s ILE 89 N -2.65 1.31 0.06 -4.49 1.01 0.27 -1.40 121.20 115.31 1rit s ILE 89 Ca 0.31 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.41 1rit s ILE 89 Cb 0.01 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 1rit s ILE 89 CO 0.15 0.41 0.09 0.00 0.00 0.00 0.00 174.94 175.59 1rit s ALA 90 N 1.25 0.07 0.41 9.38 0.00 -0.08 -1.78 121.76 131.01 1rit s ALA 90 Ca -0.02 -0.80 -0.25 0.00 0.00 0.00 0.00 51.96 50.89 1rit s ALA 90 Cb -0.14 0.34 -0.10 0.00 0.00 0.00 0.00 23.12 23.22 1rit s ALA 90 CO -0.05 -0.40 1.14 -2.30 0.00 0.00 0.00 175.76 174.15 1rit n PRO 91 N 0.25 1.65 0.18 0.00 -0.02 -1.26 0.63 135.00 136.43 1rit n PRO 91 Ca -0.16 0.59 0.07 0.00 -2.02 0.00 0.00 63.50 61.97 1rit n PRO 91 Cb 0.61 -2.20 0.35 0.00 -0.02 0.00 0.00 33.50 32.24 1rit n PRO 91 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1rit h GLU 92 N 1.85 0.00 -0.48 -0.52 4.11 -1.81 0.19 114.58 117.92 1rit h GLU 92 Ca -0.46 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.80 1rit h GLU 92 Cb 1.32 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.47 1rit h GLU 92 CO 0.59 0.00 0.10 -0.40 0.07 0.00 0.00 179.01 179.37 1rit n ASP 93 N -2.10 3.59 -4.77 3.06 5.68 -1.26 -4.93 116.55 115.81 1rit n ASP 93 Ca -0.01 -3.40 -0.41 0.00 -0.50 0.00 0.00 54.79 50.48 1rit n ASP 93 Cb 0.39 -0.65 -0.02 0.00 -1.14 0.00 0.00 41.12 39.69 1rit n ASP 93 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1rit s THR 94 N -3.07 2.68 0.30 2.12 -1.32 0.05 -5.04 115.64 111.36 1rit s THR 94 Ca 0.48 0.68 0.04 0.00 -1.21 0.00 0.00 61.69 61.68 1rit s THR 94 Cb 0.40 -3.43 -0.03 0.00 -1.51 0.00 0.00 72.50 67.92 1rit s THR 94 CO 0.07 0.16 0.20 -1.10 -2.21 0.00 0.00 174.62 171.74 1rit s GLN 95 N -1.82 1.60 -0.15 7.08 -1.52 -1.26 -5.09 119.66 118.50 1rit s GLN 95 Ca 0.49 -1.91 -0.29 0.00 -1.95 0.00 0.00 55.36 51.70 1rit s GLN 95 Cb -0.40 0.14 -0.01 0.00 -0.22 0.00 0.00 33.01 32.52 1rit s GLN 95 CO 0.53 -0.53 1.19 0.42 -0.25 0.00 0.00 175.29 176.65 1rit s ILE 96 N -3.64 4.39 -0.08 1.08 1.01 -1.26 -4.93 121.20 117.77 1rit s ILE 96 Ca 0.38 1.69 -0.40 0.00 0.00 0.00 0.00 60.65 62.31 1rit s ILE 96 Cb 0.04 -4.09 -0.20 0.00 0.01 0.00 0.00 42.46 38.23 1rit s ILE 96 CO 0.21 -0.10 1.13 -2.65 0.00 0.00 0.00 174.94 173.53 1rit n PRO 97 N 6.09 0.00 -1.63 2.79 -0.02 -1.26 -4.73 135.00 136.24 1rit n PRO 97 Ca 0.12 0.00 -0.59 0.00 -2.02 0.00 0.00 63.50 61.02 1rit n PRO 97 Cb 0.46 -1.46 -0.08 0.00 -0.02 0.00 0.00 33.50 32.40 1rit n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rit n ALA 98 N 1.87 -1.63 -3.70 3.55 0.00 -1.26 -1.34 120.51 118.00 1rit n ALA 98 Ca 0.21 0.51 -0.27 0.00 0.00 0.00 0.00 53.44 53.89 1rit n ALA 98 Cb 0.06 -1.99 0.03 0.00 0.00 0.00 0.00 19.45 17.55 1rit n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rit n GLY 99 N 2.93 -0.70 3.74 0.00 0.00 -1.26 -4.91 105.19 104.99 1rit n GLY 99 Ca 0.23 0.33 -0.41 0.00 0.00 0.00 0.00 46.02 46.18 1rit n GLY 99 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rit s SER 100 N -3.84 7.13 0.00 1.61 0.15 -0.45 -4.91 113.70 113.39 1rit s SER 100 Ca 0.28 2.24 0.30 0.00 0.70 0.00 0.00 55.95 59.47 1rit s SER 100 Cb -0.09 -2.61 1.42 0.00 -1.71 0.00 0.00 66.02 63.03 1rit s SER 100 CO 0.85 -0.31 1.96 2.30 1.20 0.00 0.00 173.24 179.23 1rit n ILE 101 N 2.15 0.00 0.00 6.45 -5.35 -1.26 -5.00 119.36 116.34 1rit n ILE 101 Ca 0.03 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 1rit n ILE 101 Cb 0.45 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 1rit n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rit n GLY 102 N 1.16 2.40 5.55 3.28 0.00 -1.26 -4.80 105.19 111.52 1rit n GLY 102 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1rit n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rit n GLY 103 N 0.00 1.90 0.37 -0.02 0.00 0.16 -1.09 105.19 106.52 1rit n GLY 103 Ca 0.00 0.10 0.17 0.00 0.00 0.00 0.00 46.02 46.29 1rit n GLY 103 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rit h GLY 104 N 0.00 0.00 2.00 -0.02 0.00 -1.89 0.20 103.07 103.36 1rit h GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rit h GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 1rit n THR 105 N -3.22 0.48 -1.32 4.70 -2.24 -0.25 -4.89 114.28 107.52 1rit n THR 105 Ca 0.04 0.02 -0.11 0.00 -2.27 0.00 0.00 64.05 61.73 1rit n THR 105 Cb 0.64 -0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 68.10 1rit n THR 105 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1rit n LEU 106 N -1.79 -0.82 -0.66 3.22 4.77 0.06 -1.97 117.00 119.81 1rit n LEU 106 Ca 0.05 0.28 -0.09 0.00 -0.03 0.00 0.00 56.01 56.22 1rit n LEU 106 Cb 0.31 -1.78 -0.04 0.00 -2.33 0.00 0.00 43.42 39.59 1rit n LEU 106 CO 0.24 -0.59 -0.08 0.61 -1.33 0.00 0.00 177.39 176.24 1rit n GLY 107 N -0.21 1.04 0.28 -0.72 0.00 -1.26 -4.11 105.19 100.21 1rit n GLY 107 Ca -0.11 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.38 1rit n GLY 107 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rit n VAL 108 N -2.70 0.30 -3.76 1.61 0.24 -0.83 -4.59 118.33 108.59 1rit n VAL 108 Ca -0.09 -0.35 -0.10 0.00 -2.04 0.00 0.00 64.34 61.76 1rit n VAL 108 Cb 0.31 0.54 -0.07 0.00 -1.47 0.00 0.00 33.84 33.15 1rit n VAL 108 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1rit s SER 109 N -0.98 -0.06 1.00 -1.34 1.04 -1.22 -4.49 113.70 107.65 1rit s SER 109 Ca 0.04 -0.39 -0.05 0.00 0.48 0.00 0.00 55.95 56.03 1rit s SER 109 Cb 0.04 0.38 0.07 0.00 0.10 0.00 0.00 66.02 66.60 1rit s SER 109 CO 0.00 -0.72 0.39 -0.90 0.98 0.00 0.00 173.24 172.99 1rit n ASP 110 N 0.13 0.00 0.06 7.02 5.68 -0.29 -4.83 116.55 124.32 1rit n ASP 110 Ca -0.17 -1.13 0.07 0.00 -0.50 0.00 0.00 54.79 53.06 1rit n ASP 110 Cb 0.62 -0.30 0.51 0.00 -1.14 0.00 0.00 41.12 40.81 1rit n ASP 110 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1rit h THR 111 N -1.24 1.03 0.00 2.12 2.02 -1.93 -0.62 112.91 114.29 1rit h THR 111 Ca -0.13 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1rit h THR 111 Cb 0.35 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1rit h THR 111 CO 0.09 0.06 0.00 0.29 0.37 0.00 0.00 175.52 176.33 1rit n LYS 112 N -4.49 0.66 -1.63 6.66 5.02 -1.26 -4.87 118.16 118.24 1rit n LYS 112 Ca 0.03 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1rit n LYS 112 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1rit n LYS 112 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rit n GLY 113 N 1.03 0.39 3.60 0.72 0.00 -0.24 -4.93 105.19 105.76 1rit n GLY 113 Ca 0.18 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 1rit n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rit s ALA 114 N -2.00 3.04 0.00 4.61 0.00 -1.26 -1.18 121.76 124.97 1rit s ALA 114 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.29 1rit s ALA 114 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1rit s ALA 114 CO 0.00 0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.47 1rit n GLY 115 N -0.67 -1.28 3.14 0.00 0.00 -1.22 -1.13 105.19 104.02 1rit n GLY 115 Ca -0.07 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 1rit n GLY 115 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1rit s HIS 116 N -2.78 3.54 -0.17 1.61 2.46 -1.26 -4.44 115.29 114.24 1rit s HIS 116 Ca 0.00 -2.32 -0.35 0.00 0.47 0.00 0.00 55.06 52.86 1rit s HIS 116 Cb 0.00 -3.29 0.14 0.00 -0.13 0.00 0.00 32.58 29.30 1rit s HIS 116 CO 0.00 -0.97 1.27 -0.59 -2.47 0.00 0.00 174.74 171.99 1rit s PHE 117 N 1.07 -0.08 -0.14 3.88 -0.71 -1.26 -4.53 117.98 116.22 1rit s PHE 117 Ca 0.09 0.03 0.00 0.00 -1.04 0.00 0.00 56.93 56.01 1rit s PHE 117 Cb -0.23 0.52 0.02 0.00 -1.21 0.00 0.00 43.02 42.12 1rit s PHE 117 CO -0.03 -0.17 -0.13 0.08 -1.34 0.00 0.00 175.22 173.63 1rit s VAL 118 N -2.32 1.43 0.26 -2.49 1.01 -0.73 0.46 120.40 118.01 1rit s VAL 118 Ca 0.11 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 1rit s VAL 118 Cb 0.01 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1rit s VAL 118 CO -0.04 0.43 0.27 -0.83 0.00 0.00 0.00 175.10 174.94 1rit s GLY 119 N 1.50 1.47 -0.34 4.51 0.00 -0.75 -0.57 107.32 113.14 1rit s GLY 119 Ca 0.04 -1.61 0.02 0.00 0.00 0.00 0.00 44.72 43.17 1rit s GLY 119 CO -0.09 -1.22 0.09 0.14 0.00 0.00 0.00 173.10 172.02 1rit s VAL 120 N -3.82 1.63 0.11 1.40 1.01 0.81 -1.00 120.40 120.55 1rit s VAL 120 Ca 0.35 -1.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.14 1rit s VAL 120 Cb 0.04 -2.21 -0.07 0.00 0.00 0.00 0.00 36.38 34.13 1rit s VAL 120 CO 0.16 -0.66 0.62 -1.83 0.00 0.00 0.00 175.10 173.39 1rit s GLU 121 N 1.12 4.24 -0.82 2.72 -1.05 -0.20 -2.12 118.70 122.59 1rit s GLU 121 Ca 0.11 0.79 0.01 0.00 -0.15 0.00 0.00 54.97 55.74 1rit s GLU 121 Cb -0.19 -3.17 0.20 0.00 -0.44 0.00 0.00 34.13 30.54 1rit s GLU 121 CO -0.15 0.58 0.69 1.19 0.95 0.00 0.00 175.26 178.52 1rit n PHE 122 N 1.48 3.80 -2.34 4.83 3.72 0.11 -0.55 117.46 128.51 1rit n PHE 122 Ca -0.08 -4.18 -0.42 0.00 -0.05 0.00 0.00 57.45 52.72 1rit n PHE 122 Cb 0.51 -0.92 -0.03 0.00 -0.94 0.00 0.00 39.48 38.10 1rit n PHE 122 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1rit s ASP 123 N -0.81 7.03 0.00 4.37 -1.08 -0.14 -2.37 116.67 123.67 1rit s ASP 123 Ca 0.27 2.21 0.00 0.00 -0.52 0.00 0.00 52.55 54.51 1rit s ASP 123 Cb -0.05 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 1rit s ASP 123 CO -0.14 -0.45 0.67 0.35 0.52 0.00 0.00 175.17 176.12 1rit n THR 124 N 3.07 0.41 -3.72 1.71 -2.24 -0.89 -2.62 114.28 109.99 1rit n THR 124 Ca 0.07 -0.64 -0.16 0.00 -2.27 0.00 0.00 64.05 61.05 1rit n THR 124 Cb 0.45 0.86 -0.16 0.00 -2.10 0.00 0.00 70.33 69.38 1rit n THR 124 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1rit s TYR 125 N -0.41 -0.07 -0.37 4.78 6.14 -1.25 -4.77 117.35 121.40 1rit s TYR 125 Ca 0.00 0.37 -0.29 0.00 0.64 0.00 0.00 57.07 57.79 1rit s TYR 125 Cb 0.00 -0.25 0.01 0.00 0.42 0.00 0.00 41.96 42.15 1rit s TYR 125 CO 0.00 -0.17 1.24 0.45 0.64 0.00 0.00 175.55 177.70 1rit s SER 126 N 1.60 6.65 -0.22 4.32 0.15 -1.26 -4.99 113.70 119.94 1rit s SER 126 Ca -0.04 0.92 -0.04 0.00 0.70 0.00 0.00 55.95 57.49 1rit s SER 126 Cb -0.12 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.63 1rit s SER 126 CO -0.04 -1.15 -0.03 0.20 1.20 0.00 0.00 173.24 173.42 1rit s ASN 127 N 2.70 4.44 0.44 5.45 -0.87 -1.26 -4.99 114.94 120.85 1rit s ASN 127 Ca 0.53 -0.35 0.24 0.00 -1.57 0.00 0.00 52.86 51.70 1rit s ASN 127 Cb -0.13 -1.77 0.94 0.00 -0.02 0.00 0.00 41.25 40.27 1rit s ASN 127 CO 0.26 -0.01 1.84 0.77 -2.57 0.00 0.00 177.10 177.38 1rit h SER 128 N 8.08 0.00 0.53 -1.22 4.64 -1.94 -1.67 113.55 121.97 1rit h SER 128 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1rit h SER 128 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1rit h SER 128 CO 0.60 0.23 0.00 -1.84 -0.87 0.00 0.00 176.83 174.95 1rit n GLU 129 N -3.42 0.00 -0.05 4.77 0.00 -1.26 -2.35 120.64 118.33 1rit n GLU 129 Ca -0.00 0.24 0.03 0.00 0.00 0.00 0.00 57.16 57.43 1rit n GLU 129 Cb 0.42 -1.50 0.04 0.00 0.00 0.00 0.00 31.44 30.40 1rit n GLU 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1rit n TYR 130 N -1.51 0.00 -2.74 -1.84 4.01 -1.13 -4.96 117.16 108.99 1rit n TYR 130 Ca 0.04 -0.57 -0.21 0.00 -0.16 0.00 0.00 57.90 57.00 1rit n TYR 130 Cb 0.18 -0.07 0.02 0.00 -0.31 0.00 0.00 39.34 39.15 1rit n TYR 130 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1rit n ASN 131 N -0.70 -5.93 -4.73 7.72 3.02 -0.99 -4.28 115.26 109.37 1rit n ASN 131 Ca 0.05 -0.17 -0.38 0.00 -0.03 0.00 0.00 54.58 54.05 1rit n ASN 131 Cb 0.42 -4.83 0.05 0.00 -0.61 0.00 0.00 39.78 34.82 1rit n ASN 131 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1rit n ASP 132 N -2.18 2.34 -4.76 6.41 8.00 -0.64 -4.94 116.55 120.77 1rit n ASP 132 Ca -0.16 0.92 -0.30 0.00 0.71 0.00 0.00 54.79 55.96 1rit n ASP 132 Cb 0.65 -1.55 0.12 0.00 -0.02 0.00 0.00 41.12 40.31 1rit n ASP 132 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1rit s PRO 133 N -2.99 1.61 0.00 -0.24 0.02 -1.26 -4.79 135.00 127.34 1rit s PRO 133 Ca 0.75 0.70 0.18 0.00 0.02 0.00 0.00 61.00 62.65 1rit s PRO 133 Cb -0.41 -1.86 0.84 0.00 0.02 0.00 0.00 34.50 33.09 1rit s PRO 133 CO 0.47 -1.97 1.54 -0.35 -0.33 0.00 0.00 177.00 176.36 1rit n PRO 134 N -3.68 0.16 -4.38 5.54 -0.04 -1.26 -4.64 135.00 126.70 1rit n PRO 134 Ca 0.07 0.15 -0.19 0.00 -0.04 0.00 0.00 63.50 63.48 1rit n PRO 134 Cb 0.56 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 1rit n PRO 134 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1rit s THR 135 N -2.72 0.78 0.33 0.52 -4.23 -1.26 -4.89 115.64 104.17 1rit s THR 135 Ca 0.14 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.36 1rit s THR 135 Cb 0.12 -2.66 -0.12 0.00 1.34 0.00 0.00 72.50 71.17 1rit s THR 135 CO 0.29 0.00 1.30 0.47 -0.54 0.00 0.00 174.62 176.14 1rit n ASP 136 N -0.65 2.74 -3.99 3.99 8.00 -1.25 -4.84 116.55 120.55 1rit n ASP 136 Ca -0.01 1.20 -0.10 0.00 0.71 0.00 0.00 54.79 56.59 1rit n ASP 136 Cb 0.66 -1.47 -0.06 0.00 -0.02 0.00 0.00 41.12 40.22 1rit n ASP 136 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1rit s HIS 137 N -0.95 0.45 -0.09 1.24 -3.43 -1.08 -0.24 115.29 111.19 1rit s HIS 137 Ca 0.57 -0.79 0.03 0.00 -0.80 0.00 0.00 55.06 54.07 1rit s HIS 137 Cb -0.58 0.01 -0.01 0.00 -1.43 0.00 0.00 32.58 30.57 1rit s HIS 137 CO 0.60 -0.84 -0.19 0.08 -2.00 0.00 0.00 174.74 172.39 1rit s VAL 138 N -4.01 2.50 0.14 -5.38 1.01 -0.74 -0.96 120.40 112.96 1rit s VAL 138 Ca 0.22 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1rit s VAL 138 Cb 0.02 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1rit s VAL 138 CO 0.05 0.55 0.00 -0.83 0.00 0.00 0.00 175.10 174.88 1rit s GLY 139 N 0.11 1.05 -0.20 4.51 0.00 0.28 -1.34 107.32 111.72 1rit s GLY 139 Ca -0.09 -1.50 -0.03 0.00 0.00 0.00 0.00 44.72 43.10 1rit s GLY 139 CO 0.06 -1.46 -0.07 -0.42 0.00 0.00 0.00 173.10 171.21 1rit s ILE 140 N -3.76 3.22 -0.06 0.90 1.01 -0.56 -1.04 121.20 120.91 1rit s ILE 140 Ca 0.21 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1rit s ILE 140 Cb 0.06 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.06 1rit s ILE 140 CO 0.01 0.45 -0.04 -1.81 0.00 0.00 0.00 174.94 173.55 1rit s ASP 141 N 1.29 4.90 -0.42 3.58 1.01 -0.17 -1.09 116.67 125.77 1rit s ASP 141 Ca 0.04 0.02 0.02 0.00 0.71 0.00 0.00 52.55 53.34 1rit s ASP 141 Cb -0.14 -1.28 0.14 0.00 1.01 0.00 0.00 42.92 42.65 1rit s ASP 141 CO -0.03 0.35 0.24 -0.69 0.21 0.00 0.00 175.17 175.25 1rit s VAL 142 N -0.89 1.12 -1.41 -1.27 1.01 -1.26 -1.81 120.40 115.89 1rit s VAL 142 Ca 0.14 -2.40 -0.04 0.00 0.00 0.00 0.00 61.98 59.68 1rit s VAL 142 Cb -0.11 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.49 1rit s VAL 142 CO 0.03 -0.93 0.54 0.59 0.00 0.00 0.00 175.10 175.33 1rit n ASN 143 N 3.60 -5.68 -3.65 3.32 3.02 0.17 -4.96 115.26 111.09 1rit n ASN 143 Ca 0.10 -0.25 0.01 0.00 -0.03 0.00 0.00 54.58 54.41 1rit n ASN 143 Cb 0.35 -4.51 -0.06 0.00 -0.61 0.00 0.00 39.78 34.95 1rit n ASN 143 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1rit s SER 144 N -2.73 -0.00 0.00 6.41 0.15 -1.26 -3.37 113.70 112.89 1rit s SER 144 Ca 0.27 0.01 0.12 0.00 0.70 0.00 0.00 55.95 57.04 1rit s SER 144 Cb -0.12 0.64 0.70 0.00 -1.71 0.00 0.00 66.02 65.53 1rit s SER 144 CO 0.33 -0.00 1.29 1.33 1.20 0.00 0.00 173.24 177.39 1rit n VAL 145 N 2.46 0.00 -3.11 4.45 0.24 -0.33 -4.12 118.33 117.91 1rit n VAL 145 Ca -0.14 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 61.71 1rit n VAL 145 Cb 0.56 -0.33 -0.01 0.00 -1.47 0.00 0.00 33.84 32.59 1rit n VAL 145 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1rit s ASP 146 N -1.57 7.03 0.15 -1.34 -1.08 -1.26 -4.93 116.67 113.66 1rit s ASP 146 Ca 0.18 -2.96 -0.26 0.00 -0.52 0.00 0.00 52.55 48.99 1rit s ASP 146 Cb 0.08 -2.32 -0.15 0.00 -1.46 0.00 0.00 42.92 39.07 1rit s ASP 146 CO 0.14 -0.64 0.51 -1.20 0.52 0.00 0.00 175.17 174.49 1rit n SER 147 N 4.69 -0.95 0.08 -0.34 7.64 -1.26 -4.86 113.62 118.63 1rit n SER 147 Ca 0.27 0.98 0.13 0.00 1.01 0.00 0.00 58.87 61.27 1rit n SER 147 Cb 0.43 -0.82 0.44 0.00 -1.01 0.00 0.00 64.21 63.26 1rit n SER 147 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1rit n VAL 148 N 0.16 0.47 -3.62 0.44 0.31 -0.25 -4.83 118.33 111.01 1rit n VAL 148 Ca 0.16 -0.23 -0.06 0.00 -0.01 0.00 0.00 64.34 64.20 1rit n VAL 148 Cb 0.20 -0.56 -0.06 0.00 -0.91 0.00 0.00 33.84 32.52 1rit n VAL 148 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1rit s LYS 149 N -3.08 0.32 0.13 5.55 2.20 -1.24 -5.01 119.74 118.60 1rit s LYS 149 Ca 0.11 0.20 -0.08 0.00 -0.36 0.00 0.00 55.97 55.84 1rit s LYS 149 Cb 0.14 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.60 1rit s LYS 149 CO 0.59 -0.08 0.21 0.95 -0.36 0.00 0.00 175.35 176.66 1rit s THR 150 N -0.53 0.11 -0.01 3.43 -4.23 -1.26 -1.50 115.64 111.65 1rit s THR 150 Ca 0.04 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 1rit s THR 150 Cb -0.03 -1.64 0.01 0.00 1.34 0.00 0.00 72.50 72.19 1rit s THR 150 CO -0.06 -0.49 0.01 0.54 -0.54 0.00 0.00 174.62 174.08 1rit s VAL 151 N -3.93 0.02 0.52 2.29 0.11 -0.45 -4.98 120.40 113.97 1rit s VAL 151 Ca 0.12 0.07 -0.22 0.00 -2.93 0.00 0.00 61.98 59.02 1rit s VAL 151 Cb 0.04 -0.08 -0.06 0.00 -1.53 0.00 0.00 36.38 34.75 1rit s VAL 151 CO -0.05 0.05 1.27 -0.81 -3.33 0.00 0.00 175.10 172.23 1rit n PRO 152 N 3.53 1.64 -3.91 1.54 -0.04 -1.26 -1.80 135.00 134.70 1rit n PRO 152 Ca -0.19 0.60 -0.08 0.00 -0.04 0.00 0.00 63.50 63.79 1rit n PRO 152 Cb 0.56 -2.45 -0.04 0.00 -0.04 0.00 0.00 33.50 31.53 1rit n PRO 152 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 1rit s TRP 153 N -1.30 0.09 -0.08 0.54 -0.00 0.67 -4.78 118.94 114.08 1rit s TRP 153 Ca 0.69 -0.49 -0.01 0.00 -0.00 0.00 0.00 56.10 56.29 1rit s TRP 153 Cb -0.45 0.42 0.03 0.00 -0.00 0.00 0.00 33.47 33.47 1rit s TRP 153 CO 0.52 -1.08 0.00 1.21 -0.00 0.00 0.00 176.95 177.60 1rit s ASN 154 N -2.96 1.70 -0.17 5.86 2.47 -1.26 -3.82 114.94 116.75 1rit s ASN 154 Ca 0.16 -0.15 -0.22 0.00 0.42 0.00 0.00 52.86 53.07 1rit s ASN 154 Cb -0.03 -0.45 -0.02 0.00 -1.45 0.00 0.00 41.25 39.29 1rit s ASN 154 CO 0.07 -0.20 0.68 -0.55 -3.72 0.00 0.00 177.10 173.38 1rit s SER 155 N 1.96 6.79 -0.25 -4.21 0.15 -1.26 -5.04 113.70 111.84 1rit s SER 155 Ca 0.05 0.96 -0.08 0.00 0.70 0.00 0.00 55.95 57.58 1rit s SER 155 Cb -0.13 -2.38 -0.03 0.00 -1.71 0.00 0.00 66.02 61.77 1rit s SER 155 CO -0.06 -0.28 0.08 -0.69 1.20 0.00 0.00 173.24 173.49 1rit s VAL 156 N 1.81 4.41 0.02 4.45 1.01 -1.26 -5.06 120.40 125.77 1rit s VAL 156 Ca 0.32 -0.14 -0.32 0.00 0.00 0.00 0.00 61.98 61.84 1rit s VAL 156 Cb -0.16 -3.06 -0.11 0.00 0.00 0.00 0.00 36.38 33.05 1rit s VAL 156 CO 0.12 0.34 1.90 -0.24 0.00 0.00 0.00 175.10 177.21 1rit n SER 157 N 4.85 3.84 0.00 3.32 2.88 -1.26 -1.94 113.62 125.32 1rit n SER 157 Ca -0.16 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 1rit n SER 157 Cb 0.51 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1rit n SER 157 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rit n GLY 158 N 4.39 0.90 3.85 0.46 0.00 0.50 -4.89 105.19 110.40 1rit n GLY 158 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1rit n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rit s ALA 159 N -3.37 3.75 -0.15 4.61 0.00 -0.82 -4.97 121.76 120.81 1rit s ALA 159 Ca 0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 51.96 51.33 1rit s ALA 159 Cb 0.00 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.85 1rit s ALA 159 CO 0.00 0.54 0.91 0.08 0.00 0.00 0.00 175.76 177.29 1rit s VAL 160 N -1.15 4.83 -0.11 0.00 1.01 -1.26 -4.34 120.40 119.39 1rit s VAL 160 Ca 0.24 1.81 -0.03 0.00 0.00 0.00 0.00 61.98 64.00 1rit s VAL 160 Cb -0.15 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1rit s VAL 160 CO 0.13 0.00 0.01 -0.69 0.00 0.00 0.00 175.10 174.55 1rit s VAL 161 N 2.19 4.35 -0.12 2.92 1.01 -0.23 -4.00 120.40 126.51 1rit s VAL 161 Ca 0.42 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 1rit s VAL 161 Cb -0.17 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1rit s VAL 161 CO 0.14 0.58 -0.06 -0.54 0.00 0.00 0.00 175.10 175.21 1rit s LYS 162 N -0.59 3.34 0.05 2.72 1.02 -0.96 -1.73 119.74 123.58 1rit s LYS 162 Ca 0.10 -0.55 0.08 0.00 0.02 0.00 0.00 55.97 55.62 1rit s LYS 162 Cb -0.12 -2.77 -0.03 0.00 -0.52 0.00 0.00 37.83 34.40 1rit s LYS 162 CO 0.02 0.38 -0.22 0.08 -0.92 0.00 0.00 175.35 174.68 1rit s VAL 163 N -0.02 1.81 -0.04 3.17 1.01 0.18 0.38 120.40 126.89 1rit s VAL 163 Ca 0.00 -1.29 -0.02 0.00 0.00 0.00 0.00 61.98 60.67 1rit s VAL 163 Cb -0.13 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.70 1rit s VAL 163 CO 0.03 0.22 0.05 -0.89 0.00 0.00 0.00 175.10 174.52 1rit s THR 164 N -0.84 -0.08 -0.02 3.92 2.01 -0.31 -1.14 115.64 119.19 1rit s THR 164 Ca 0.09 0.39 0.05 0.00 0.31 0.00 0.00 61.69 62.53 1rit s THR 164 Cb -0.09 -0.16 -0.03 0.00 0.01 0.00 0.00 72.50 72.23 1rit s THR 164 CO 0.02 0.17 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.27 1rit s VAL 165 N 2.04 2.90 -0.06 3.82 1.01 0.37 -1.25 120.40 129.22 1rit s VAL 165 Ca 0.03 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1rit s VAL 165 Cb -0.12 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.13 1rit s VAL 165 CO -0.03 0.51 -0.03 -0.63 0.00 0.00 0.00 175.10 174.92 1rit s ILE 166 N -0.79 0.51 -0.25 2.22 1.01 -0.30 -1.90 121.20 121.71 1rit s ILE 166 Ca 0.12 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.75 1rit s ILE 166 Cb -0.11 -0.58 0.05 0.00 0.01 0.00 0.00 42.46 41.83 1rit s ILE 166 CO 0.02 0.25 -0.11 -0.47 0.00 0.00 0.00 174.94 174.63 1rit s TYR 167 N 1.38 3.16 -0.22 3.97 5.04 -0.64 -0.82 117.35 129.23 1rit s TYR 167 Ca -0.04 -2.08 -0.20 0.00 -2.44 0.00 0.00 57.07 52.32 1rit s TYR 167 Cb -0.13 -1.96 -0.03 0.00 0.35 0.00 0.00 41.96 40.19 1rit s TYR 167 CO -0.03 -0.84 0.60 0.34 -1.34 0.00 0.00 175.55 174.28 1rit s ASP 168 N 1.17 6.62 0.05 4.32 2.15 -0.16 -2.61 116.67 128.22 1rit s ASP 168 Ca -0.05 0.75 -0.24 0.00 0.43 0.00 0.00 52.55 53.44 1rit s ASP 168 Cb -0.18 -2.33 -0.17 0.00 -0.30 0.00 0.00 42.92 39.94 1rit s ASP 168 CO -0.06 -0.28 1.55 0.77 -0.17 0.00 0.00 175.17 176.98 1rit h SER 169 N 7.61 -0.03 -1.01 -0.34 4.64 -1.86 0.94 113.55 123.50 1rit h SER 169 Ca -0.31 -0.18 0.23 0.00 -0.47 0.00 0.00 61.79 61.06 1rit h SER 169 Cb 1.14 0.01 -0.12 0.00 -0.31 0.00 0.00 62.40 63.12 1rit h SER 169 CO 0.76 0.16 0.61 0.28 -0.87 0.00 0.00 176.83 177.77 1rit h SER 170 N -0.23 0.69 -0.01 4.97 0.02 -1.93 -1.37 113.55 115.70 1rit h SER 170 Ca -0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1rit h SER 170 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1rit h SER 170 CO 0.01 0.16 -0.40 0.35 -1.14 0.00 0.00 176.83 175.81 1rit n THR 171 N -4.82 0.00 -2.84 -2.27 -2.24 -1.18 -4.96 114.28 95.97 1rit n THR 171 Ca 0.26 -0.30 -0.18 0.00 -2.27 0.00 0.00 64.05 61.55 1rit n THR 171 Cb 0.70 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 70.07 1rit n THR 171 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1rit n LYS 172 N -0.43 -3.07 -3.41 -0.78 5.02 0.32 -4.84 118.16 110.98 1rit n LYS 172 Ca 0.05 0.65 -0.38 0.00 -2.02 0.00 0.00 58.31 56.62 1rit n LYS 172 Cb 0.30 -5.34 -0.07 0.00 -0.02 0.00 0.00 35.03 29.89 1rit n LYS 172 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1rit s THR 173 N -2.86 5.22 -0.28 -0.18 2.01 -0.86 -1.05 115.64 117.65 1rit s THR 173 Ca 0.19 0.71 -0.06 0.00 0.31 0.00 0.00 61.69 62.83 1rit s THR 173 Cb -0.09 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.70 1rit s THR 173 CO 0.23 0.29 0.05 -0.22 -0.69 0.00 0.00 174.62 174.28 1rit s LEU 174 N 1.07 3.65 -0.04 4.42 2.96 0.51 -0.98 118.68 130.26 1rit s LEU 174 Ca 0.19 -0.65 0.05 0.00 -0.22 0.00 0.00 54.13 53.50 1rit s LEU 174 Cb -0.14 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 1rit s LEU 174 CO 0.07 -0.15 -0.20 -0.94 -1.32 0.00 0.00 176.35 173.81 1rit s SER 175 N 1.49 2.52 0.18 3.68 1.04 -0.01 -1.11 113.70 121.50 1rit s SER 175 Ca 0.03 -0.41 0.11 0.00 0.48 0.00 0.00 55.95 56.15 1rit s SER 175 Cb -0.17 -0.64 -0.04 0.00 0.10 0.00 0.00 66.02 65.27 1rit s SER 175 CO 0.01 0.20 -0.20 -0.69 0.98 0.00 0.00 173.24 173.54 1rit s VAL 176 N -0.11 2.59 -0.04 5.02 1.01 -0.80 -1.15 120.40 126.93 1rit s VAL 176 Ca -0.02 -1.89 -0.02 0.00 0.00 0.00 0.00 61.98 60.05 1rit s VAL 176 Cb -0.12 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.05 1rit s VAL 176 CO 0.02 -0.09 0.07 0.00 0.00 0.00 0.00 175.10 175.10 1rit s ALA 177 N -1.62 0.18 -0.18 5.51 0.00 -0.38 -3.06 121.76 122.21 1rit s ALA 177 Ca 0.21 0.24 -0.04 0.00 0.00 0.00 0.00 51.96 52.37 1rit s ALA 177 Cb -0.08 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1rit s ALA 177 CO 0.11 -0.45 -0.03 0.08 0.00 0.00 0.00 175.76 175.47 1rit s VAL 178 N 2.06 3.86 -0.51 0.00 1.01 -0.14 -1.16 120.40 125.53 1rit s VAL 178 Ca 0.03 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 1rit s VAL 178 Cb -0.12 -2.71 0.13 0.00 0.00 0.00 0.00 36.38 33.67 1rit s VAL 178 CO -0.03 0.46 0.38 -0.89 0.00 0.00 0.00 175.10 175.02 1rit s THR 179 N 0.69 4.27 0.84 3.92 2.01 0.16 -1.42 115.64 126.11 1rit s THR 179 Ca -0.01 -1.91 -0.10 0.00 0.31 0.00 0.00 61.69 59.97 1rit s THR 179 Cb -0.14 -3.80 0.10 0.00 0.01 0.00 0.00 72.50 68.66 1rit s THR 179 CO 0.02 -0.80 1.11 0.20 -0.69 0.00 0.00 174.62 174.46 1rit s ASN 180 N 2.51 3.81 0.41 3.53 -0.87 -0.58 -2.28 114.94 121.48 1rit s ASN 180 Ca 0.07 1.93 0.15 0.00 -1.57 0.00 0.00 52.86 53.44 1rit s ASN 180 Cb -0.25 -2.51 1.01 0.00 -0.02 0.00 0.00 41.25 39.48 1rit s ASN 180 CO -0.01 -2.50 1.91 -0.78 -2.57 0.00 0.00 177.10 173.15 1rit h ASP 181 N -1.45 0.44 -0.89 -1.22 3.58 -1.88 -1.49 116.42 113.51 1rit h ASP 181 Ca -0.44 0.03 0.20 0.00 0.42 0.00 0.00 57.03 57.23 1rit h ASP 181 Cb 1.25 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 42.17 1rit h ASP 181 CO 0.48 0.22 0.59 -1.13 -2.88 0.00 0.00 179.24 176.52 1rit h ASN 182 N 0.46 0.40 0.00 2.28 -0.00 -1.93 -3.45 115.58 113.34 1rit h ASN 182 Ca 0.39 0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.73 1rit h ASN 182 Cb 0.84 -0.03 0.00 0.00 -0.00 0.00 0.00 38.32 39.13 1rit h ASN 182 CO -0.14 0.16 0.00 0.61 -0.00 0.00 0.00 177.43 178.07 1rit n GLY 183 N -1.52 2.34 3.77 1.57 0.00 -0.56 -5.08 105.19 105.72 1rit n GLY 183 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1rit n GLY 183 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rit s ASP 184 N -1.23 6.35 -0.05 1.61 1.11 -1.26 -4.80 116.67 118.39 1rit s ASP 184 Ca 0.00 2.21 0.06 0.00 0.18 0.00 0.00 52.55 55.00 1rit s ASP 184 Cb 0.00 -2.60 -0.02 0.00 1.07 0.00 0.00 42.92 41.38 1rit s ASP 184 CO 0.00 -0.79 -0.23 0.27 1.18 0.00 0.00 175.17 175.60 1rit s ILE 185 N -1.59 2.28 -0.07 0.77 -4.36 -1.26 -1.52 121.20 115.44 1rit s ILE 185 Ca 0.62 -1.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.01 1rit s ILE 185 Cb -0.26 -1.83 -0.03 0.00 1.25 0.00 0.00 42.46 41.59 1rit s ILE 185 CO 0.32 0.57 -0.06 -0.89 0.24 0.00 0.00 174.94 175.13 1rit s THR 186 N -0.38 3.81 0.25 8.37 2.01 -0.51 -4.95 115.64 124.24 1rit s THR 186 Ca 0.03 -0.44 0.03 0.00 0.31 0.00 0.00 61.69 61.63 1rit s THR 186 Cb -0.12 -2.57 -0.05 0.00 0.01 0.00 0.00 72.50 69.77 1rit s THR 186 CO 0.02 0.60 0.02 0.42 -0.69 0.00 0.00 174.62 174.99 1rit s THR 187 N -0.82 0.98 -0.30 -0.82 -4.23 -1.26 -0.96 115.64 108.24 1rit s THR 187 Ca 0.12 -2.02 -0.16 0.00 -1.18 0.00 0.00 61.69 58.45 1rit s THR 187 Cb -0.11 -2.44 0.17 0.00 1.34 0.00 0.00 72.50 71.45 1rit s THR 187 CO 0.02 -0.24 1.06 -0.51 -0.54 0.00 0.00 174.62 174.40 1rit s ILE 188 N -3.45 -0.16 0.09 2.99 2.07 -1.17 -4.92 121.20 116.65 1rit s ILE 188 Ca 0.31 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.62 1rit s ILE 188 Cb 0.06 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.62 1rit s ILE 188 CO 0.10 0.00 -0.20 0.00 -1.91 0.00 0.00 174.94 172.93 1rit s ALA 189 N 1.68 1.70 -0.07 1.50 0.00 -1.26 -1.90 121.76 123.41 1rit s ALA 189 Ca -0.06 -1.19 -0.15 0.00 0.00 0.00 0.00 51.96 50.56 1rit s ALA 189 Cb -0.04 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.88 1rit s ALA 189 CO -0.15 0.33 0.37 -1.14 0.00 0.00 0.00 175.76 175.17 1rit s GLN 190 N -1.81 0.60 -0.35 0.00 2.00 -0.27 -4.99 119.66 114.85 1rit s GLN 190 Ca 0.05 0.14 -0.19 0.00 -2.00 0.00 0.00 55.36 53.37 1rit s GLN 190 Cb -0.10 0.28 -0.00 0.00 0.80 0.00 0.00 33.01 33.99 1rit s GLN 190 CO 0.04 -0.14 0.54 0.08 -0.50 0.00 0.00 175.29 175.30 1rit s VAL 191 N -0.67 4.99 -0.15 1.34 1.01 -1.26 -0.36 120.40 125.29 1rit s VAL 191 Ca -0.08 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1rit s VAL 191 Cb -0.04 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.38 1rit s VAL 191 CO 0.03 -0.24 -0.13 -0.69 0.00 0.00 0.00 175.10 174.07 1rit s VAL 192 N 2.45 1.49 -0.94 2.92 1.01 -0.21 -4.99 120.40 122.13 1rit s VAL 192 Ca 0.20 -0.61 -0.21 0.00 0.00 0.00 0.00 61.98 61.35 1rit s VAL 192 Cb -0.15 -1.43 0.08 0.00 0.00 0.00 0.00 36.38 34.88 1rit s VAL 192 CO 0.14 0.41 1.27 -0.62 0.00 0.00 0.00 175.10 176.30 1rit s ASP 193 N 1.52 6.51 0.24 3.32 2.15 -1.26 -4.69 116.67 124.45 1rit s ASP 193 Ca 0.04 -1.60 -0.05 0.00 0.43 0.00 0.00 52.55 51.37 1rit s ASP 193 Cb -0.13 -2.49 0.41 0.00 -0.30 0.00 0.00 42.92 40.41 1rit s ASP 193 CO -0.10 -1.34 1.75 -0.07 -0.17 0.00 0.00 175.17 175.24 1rit h LEU 194 N 11.73 0.36 -2.07 -1.34 3.38 -1.97 0.57 115.31 125.98 1rit h LEU 194 Ca 0.12 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1rit h LEU 194 Cb 1.02 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1rit h LEU 194 CO 1.27 0.17 -0.08 0.50 0.09 0.00 0.00 178.44 180.40 1rit h LYS 195 N 0.51 0.00 0.00 1.13 3.64 -1.89 0.58 116.57 120.54 1rit h LYS 195 Ca 0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1rit h LYS 195 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1rit h LYS 195 CO -0.35 0.08 -0.67 0.00 -2.27 0.00 0.00 179.45 176.24 1rit h ALA 196 N 1.92 0.64 -0.00 5.00 0.00 -1.32 -3.38 119.26 122.13 1rit h ALA 196 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rit h ALA 196 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rit h ALA 196 CO 0.01 0.00 -0.21 1.63 0.00 0.00 0.00 179.25 180.68 1rit n LYS 197 N -2.65 4.15 -4.10 0.00 4.76 -0.75 -5.06 118.16 114.52 1rit n LYS 197 Ca 0.02 -0.17 -0.08 0.00 -2.87 0.00 0.00 58.31 55.21 1rit n LYS 197 Cb 0.52 -0.83 -0.10 0.00 -1.84 0.00 0.00 35.03 32.78 1rit n LYS 197 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1rit s LEU 198 N -1.92 2.11 0.72 -0.35 1.43 0.13 -4.83 118.68 115.97 1rit s LEU 198 Ca 0.03 -1.06 -0.11 0.00 -1.03 0.00 0.00 54.13 51.97 1rit s LEU 198 Cb 0.04 0.31 0.02 0.00 0.03 0.00 0.00 46.19 46.60 1rit s LEU 198 CO 0.20 -0.67 1.07 -2.16 0.23 0.00 0.00 176.35 175.02 1rit s PRO 199 N -3.97 2.75 0.25 1.29 0.04 -1.26 -4.64 135.00 129.46 1rit s PRO 199 Ca 0.14 0.87 -0.04 0.00 0.04 0.00 0.00 61.00 62.01 1rit s PRO 199 Cb 0.07 -1.98 0.50 0.00 0.04 0.00 0.00 34.50 33.14 1rit s PRO 199 CO -0.05 -1.21 1.66 1.49 0.04 0.00 0.00 177.00 178.93 1rit h GLU 200 N -0.80 0.20 -5.10 4.56 4.81 -1.94 -3.38 114.58 112.93 1rit h GLU 200 Ca -0.45 -0.01 -0.64 0.00 -0.13 0.00 0.00 59.36 58.13 1rit h GLU 200 Cb 1.22 -0.05 -0.22 0.00 0.63 0.00 0.00 28.75 30.34 1rit h GLU 200 CO 0.57 0.13 -0.65 1.03 -0.73 0.00 0.00 179.01 179.37 1rit s ARG 201 N -6.05 3.65 0.40 1.92 0.52 -1.26 -2.14 118.95 116.00 1rit s ARG 201 Ca -0.13 -0.50 0.04 0.00 -0.52 0.00 0.00 55.73 54.62 1rit s ARG 201 Cb 0.22 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.51 1rit s ARG 201 CO 0.76 -0.01 0.07 0.14 0.02 0.00 0.00 175.30 176.28 1rit s VAL 202 N 1.09 1.03 -0.01 3.52 -7.23 -0.64 -3.31 120.40 114.85 1rit s VAL 202 Ca 0.03 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1rit s VAL 202 Cb -0.14 -2.51 -0.00 0.00 0.56 0.00 0.00 36.38 34.29 1rit s VAL 202 CO 0.02 0.00 -0.08 -0.54 -0.31 0.00 0.00 175.10 174.19 1rit s LYS 203 N -3.80 0.69 0.17 4.82 1.02 0.20 -0.48 119.74 122.37 1rit s LYS 203 Ca 0.25 -0.27 0.04 0.00 0.02 0.00 0.00 55.97 56.01 1rit s LYS 203 Cb 0.05 -0.67 -0.04 0.00 -0.52 0.00 0.00 37.83 36.65 1rit s LYS 203 CO 0.13 0.14 0.22 -0.06 -0.92 0.00 0.00 175.35 174.85 1rit s PHE 204 N -0.04 3.31 -0.11 3.18 0.08 -1.26 -0.90 117.98 122.23 1rit s PHE 204 Ca 0.01 0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.09 1rit s PHE 204 Cb -0.05 -1.57 0.00 0.00 -0.57 0.00 0.00 43.02 40.83 1rit s PHE 204 CO -0.00 0.51 0.00 0.41 -0.10 0.00 0.00 175.22 176.04 1rit n GLY 205 N -0.56 -1.16 3.52 4.36 0.00 -0.49 -1.27 105.19 109.58 1rit n GLY 205 Ca -0.08 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 1rit n GLY 205 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rit s PHE 206 N -2.34 2.26 0.12 1.61 0.08 -0.39 -0.60 117.98 118.72 1rit s PHE 206 Ca 0.00 -0.61 -0.24 0.00 0.12 0.00 0.00 56.93 56.19 1rit s PHE 206 Cb 0.00 -1.36 0.08 0.00 -0.57 0.00 0.00 43.02 41.17 1rit s PHE 206 CO 0.00 0.44 0.65 0.45 -0.10 0.00 0.00 175.22 176.66 1rit s SER 207 N -3.57 -0.54 0.31 1.36 0.15 -0.81 -1.64 113.70 108.97 1rit s SER 207 Ca 0.32 0.02 -0.10 0.00 0.70 0.00 0.00 55.95 56.90 1rit s SER 207 Cb 0.04 0.56 0.01 0.00 -1.71 0.00 0.00 66.02 64.93 1rit s SER 207 CO 0.15 -0.90 0.56 0.00 1.20 0.00 0.00 173.24 174.25 1rit s ALA 208 N -3.55 -0.03 -0.02 5.45 0.00 -1.00 -1.57 121.76 121.05 1rit s ALA 208 Ca 0.01 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.62 1rit s ALA 208 Cb -0.01 1.01 0.11 0.00 0.00 0.00 0.00 23.12 24.23 1rit s ALA 208 CO -0.12 -0.87 1.14 -1.54 0.00 0.00 0.00 175.76 174.38 1rit s SER 209 N -3.10 -0.14 0.32 0.00 1.04 -1.23 -3.13 113.70 107.45 1rit s SER 209 Ca 0.23 -0.15 -0.03 0.00 0.48 0.00 0.00 55.95 56.49 1rit s SER 209 Cb -0.02 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.38 1rit s SER 209 CO 0.14 -0.46 0.47 0.61 0.98 0.00 0.00 173.24 174.97 1rit n GLY 210 N -0.36 2.07 0.00 7.32 0.00 -0.86 0.16 105.19 113.52 1rit n GLY 210 Ca -0.06 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1rit n GLY 210 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rit n SER 211 N -1.65 0.26 0.26 1.61 3.41 0.52 0.36 113.62 118.39 1rit n SER 211 Ca -0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.49 1rit n SER 211 Cb 0.53 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 1rit n SER 211 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1rit h LEU 212 N 0.00 -0.61 0.00 1.04 6.46 -1.93 -3.37 115.31 116.90 1rit h LEU 212 Ca 0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1rit h LEU 212 Cb 0.00 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.09 1rit h LEU 212 CO 0.00 -0.23 -1.46 0.61 -0.62 0.00 0.00 178.44 176.73 1rit n GLY 213 N -0.13 -1.24 3.53 3.75 0.00 -1.26 -4.80 105.19 105.04 1rit n GLY 213 Ca -0.09 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 1rit n GLY 213 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rit s GLY 214 N -4.41 1.32 -0.10 -0.02 0.00 -1.26 -0.06 107.32 102.78 1rit s GLY 214 Ca -0.04 -1.19 -0.16 0.00 0.00 0.00 0.00 44.72 43.33 1rit s GLY 214 CO 0.85 2.18 0.41 0.50 0.00 0.00 0.00 173.10 177.04 1rit s ARG 215 N 4.27 0.60 0.19 2.90 0.52 0.15 -0.35 118.95 127.23 1rit s ARG 215 Ca 0.33 0.31 -0.23 0.00 -0.52 0.00 0.00 55.73 55.62 1rit s ARG 215 Cb -0.11 0.28 0.05 0.00 0.52 0.00 0.00 34.95 35.69 1rit s ARG 215 CO 0.20 -0.12 0.75 1.14 0.02 0.00 0.00 175.30 177.29 1rit s GLN 216 N -0.40 1.44 -0.26 3.54 -2.07 -1.11 -4.09 119.66 116.71 1rit s GLN 216 Ca -0.05 -0.72 -0.29 0.00 -1.82 0.00 0.00 55.36 52.48 1rit s GLN 216 Cb -0.03 0.54 0.01 0.00 -1.09 0.00 0.00 33.01 32.43 1rit s GLN 216 CO 0.03 -0.65 1.15 0.42 -1.32 0.00 0.00 175.29 174.91 1rit s ILE 217 N -3.67 4.43 -0.26 3.63 1.01 -0.79 -4.88 121.20 120.67 1rit s ILE 217 Ca 0.08 1.69 -0.04 0.00 0.00 0.00 0.00 60.65 62.38 1rit s ILE 217 Cb -0.03 -4.25 0.01 0.00 0.01 0.00 0.00 42.46 38.20 1rit s ILE 217 CO -0.01 -0.33 0.00 -1.00 0.00 0.00 0.00 174.94 173.60 1rit s HIS 218 N 3.65 3.08 -0.03 3.97 3.76 -1.26 -1.48 115.29 126.98 1rit s HIS 218 Ca 0.49 -1.22 0.03 0.00 -0.15 0.00 0.00 55.06 54.22 1rit s HIS 218 Cb -0.16 -2.15 0.00 0.00 1.11 0.00 0.00 32.58 31.39 1rit s HIS 218 CO 0.14 -0.63 -0.11 -0.51 -0.85 0.00 0.00 174.74 172.78 1rit s LEU 219 N 1.42 1.84 -0.19 0.89 1.43 0.14 -2.44 118.68 121.77 1rit s LEU 219 Ca 0.02 -0.23 -0.08 0.00 -1.03 0.00 0.00 54.13 52.81 1rit s LEU 219 Cb -0.16 -0.65 -0.04 0.00 0.03 0.00 0.00 46.19 45.36 1rit s LEU 219 CO -0.01 0.09 0.08 -0.63 0.23 0.00 0.00 176.35 176.11 1rit s ILE 220 N 0.11 4.94 -0.20 -0.59 -1.09 -0.67 -0.79 121.20 122.92 1rit s ILE 220 Ca -0.02 0.02 0.03 0.00 -2.23 0.00 0.00 60.65 58.44 1rit s ILE 220 Cb -0.09 -3.24 -0.14 0.00 -1.58 0.00 0.00 42.46 37.42 1rit s ILE 220 CO 0.01 0.45 -0.16 0.54 -1.23 0.00 0.00 174.94 174.55 1rit n ARG 221 N 3.55 0.58 -3.82 2.79 1.74 0.53 -1.95 116.66 120.09 1rit n ARG 221 Ca -0.16 0.11 -0.10 0.00 -0.77 0.00 0.00 57.85 56.93 1rit n ARG 221 Cb 0.52 -1.40 -0.06 0.00 -1.02 0.00 0.00 32.46 30.50 1rit n ARG 221 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1rit s SER 222 N -5.87 -0.05 -0.29 0.55 1.04 -1.21 -4.18 113.70 103.69 1rit s SER 222 Ca -0.26 -0.61 -0.15 0.00 0.48 0.00 0.00 55.95 55.42 1rit s SER 222 Cb 0.07 0.44 0.14 0.00 0.10 0.00 0.00 66.02 66.76 1rit s SER 222 CO 0.48 -0.86 0.87 0.86 0.98 0.00 0.00 173.24 175.57 1rit s TRP 223 N -3.88 -0.83 0.01 5.02 -0.00 -0.91 -2.62 118.94 115.73 1rit s TRP 223 Ca 0.09 1.55 0.06 0.00 -0.00 0.00 0.00 56.10 57.79 1rit s TRP 223 Cb 0.03 0.50 -0.02 0.00 -0.00 0.00 0.00 33.47 33.98 1rit s TRP 223 CO -0.07 -0.41 -0.18 -1.54 -0.00 0.00 0.00 176.95 174.75 1rit s SER 224 N 1.99 2.14 -0.08 5.86 1.04 -0.81 0.33 113.70 124.17 1rit s SER 224 Ca -0.07 -0.41 -0.11 0.00 0.48 0.00 0.00 55.95 55.85 1rit s SER 224 Cb -0.06 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.88 1rit s SER 224 CO -0.17 0.17 0.28 0.12 0.98 0.00 0.00 173.24 174.62 1rit s PHE 225 N -0.60 -0.26 -0.10 5.02 2.19 -0.57 -2.17 117.98 121.49 1rit s PHE 225 Ca 0.06 0.59 -0.08 0.00 0.33 0.00 0.00 56.93 57.83 1rit s PHE 225 Cb -0.08 0.09 0.03 0.00 -1.31 0.00 0.00 43.02 41.75 1rit s PHE 225 CO 0.00 -0.22 0.25 0.99 1.83 0.00 0.00 175.22 178.08 1rit s THR 226 N -0.32 -0.01 -0.08 0.12 2.01 -0.45 -0.77 115.64 116.14 1rit s THR 226 Ca -0.04 0.02 -0.05 0.00 0.31 0.00 0.00 61.69 61.92 1rit s THR 226 Cb -0.03 -0.36 0.03 0.00 0.01 0.00 0.00 72.50 72.14 1rit s THR 226 CO 0.01 0.01 0.19 -0.94 -0.69 0.00 0.00 174.62 173.20 1rit s SER 227 N 0.28 -0.19 -0.08 3.53 1.04 0.43 -0.64 113.70 118.06 1rit s SER 227 Ca -0.01 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1rit s SER 227 Cb -0.03 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.46 1rit s SER 227 CO -0.01 -0.11 -0.07 -0.89 0.98 0.00 0.00 173.24 173.15 1rit s THR 228 N 0.62 0.85 -0.22 2.02 2.01 -0.41 0.04 115.64 120.55 1rit s THR 228 Ca -0.04 -0.23 -0.07 0.00 0.31 0.00 0.00 61.69 61.66 1rit s THR 228 Cb -0.06 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 1rit s THR 228 CO -0.03 0.32 0.05 -0.22 -0.69 0.00 0.00 174.62 174.05 1rit s LEU 229 N 1.42 3.49 0.22 4.42 2.96 -0.13 -2.65 118.68 128.40 1rit s LEU 229 Ca -0.02 -0.12 -0.30 0.00 -0.22 0.00 0.00 54.13 53.47 1rit s LEU 229 Cb -0.13 -1.91 -0.08 0.00 0.50 0.00 0.00 46.19 44.57 1rit s LEU 229 CO -0.04 0.05 1.03 -0.63 -1.32 0.00 0.00 176.35 175.45 1rit s ILE 230 N 1.09 3.89 -0.48 6.68 1.01 -1.26 -1.08 121.20 131.05 1rit s ILE 230 Ca 0.04 1.78 0.08 0.00 0.00 0.00 0.00 60.65 62.55 1rit s ILE 230 Cb -0.14 -4.14 0.34 0.00 0.01 0.00 0.00 42.46 38.53 1rit s ILE 230 CO 0.03 0.37 0.82 0.35 0.00 0.00 0.00 174.94 176.51 1rit n THR 231 N 1.80 1.44 -1.71 2.92 -2.24 -1.26 -4.89 114.28 110.34 1rit n THR 231 Ca 0.00 -5.06 0.00 0.00 -2.27 0.00 0.00 64.05 56.72 1rit n THR 231 Cb 0.46 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 1rit n THR 231 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57