#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 3.24 -0.03 0.00 2.12 -0.71 -4.94 118.70 118.38 1rit s GLU 2 Ca 0.00 -0.49 0.06 0.00 0.36 0.00 0.00 54.97 54.90 1rit s GLU 2 Cb 0.00 -3.99 -0.01 0.00 0.26 0.00 0.00 34.13 30.39 1rit s GLU 2 CO 0.00 -1.07 -0.20 0.99 -0.54 0.00 0.00 175.26 174.44 1rit s THR 3 N 2.81 1.64 -0.10 -1.70 2.01 -1.26 0.45 115.64 119.49 1rit s THR 3 Ca 0.21 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.36 1rit s THR 3 Cb -0.15 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 70.96 1rit s THR 3 CO 0.17 0.47 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.75 1rit s VAL 4 N -0.27 3.10 -0.27 3.82 1.01 -0.22 -4.98 120.40 122.59 1rit s VAL 4 Ca 0.02 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 1rit s VAL 4 Cb -0.10 -2.27 0.12 0.00 0.00 0.00 0.00 36.38 34.13 1rit s VAL 4 CO 0.01 0.55 0.58 -0.94 0.00 0.00 0.00 175.10 175.30 1rit s SER 5 N -0.07 -0.88 0.35 3.32 1.04 -1.26 -0.93 113.70 115.28 1rit s SER 5 Ca -0.02 1.40 0.04 0.00 0.48 0.00 0.00 55.95 57.84 1rit s SER 5 Cb -0.14 2.00 -0.05 0.00 0.10 0.00 0.00 66.02 67.94 1rit s SER 5 CO 0.04 -0.22 0.08 0.72 0.98 0.00 0.00 173.24 174.83 1rit s PHE 6 N 2.79 1.88 -0.28 5.02 -0.12 -0.85 -5.02 117.98 121.41 1rit s PHE 6 Ca -0.05 -1.07 -0.12 0.00 -0.05 0.00 0.00 56.93 55.65 1rit s PHE 6 Cb -0.12 -1.24 0.11 0.00 -0.63 0.00 0.00 43.02 41.14 1rit s PHE 6 CO -0.17 -0.10 0.63 1.21 -0.05 0.00 0.00 175.22 176.74 1rit s ASN 7 N -3.53 -0.96 -0.17 1.98 2.47 -1.26 -2.60 114.94 110.86 1rit s ASN 7 Ca 0.32 1.47 0.01 0.00 0.42 0.00 0.00 52.86 55.07 1rit s ASN 7 Cb 0.07 1.83 0.03 0.00 -1.45 0.00 0.00 41.25 41.72 1rit s ASN 7 CO 0.15 -0.23 -0.16 -0.36 -3.72 0.00 0.00 177.10 172.78 1rit s PHE 8 N 2.37 2.50 -0.98 0.43 0.08 0.18 -4.94 117.98 117.63 1rit s PHE 8 Ca -0.07 -1.49 0.17 0.00 0.12 0.00 0.00 56.93 55.65 1rit s PHE 8 Cb -0.09 -1.75 -0.14 0.00 -0.57 0.00 0.00 43.02 40.46 1rit s PHE 8 CO -0.18 -0.75 0.76 0.09 -0.10 0.00 0.00 175.22 175.03 1rit n ASN 9 N 4.68 1.01 -3.87 1.36 3.02 -1.26 -0.82 115.26 119.38 1rit n ASN 9 Ca -0.18 -1.00 -0.08 0.00 -0.03 0.00 0.00 54.58 53.28 1rit n ASN 9 Cb 0.49 0.88 -0.03 0.00 -0.61 0.00 0.00 39.78 40.51 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 -2.45 -0.22 0.22 6.41 1.04 -1.26 -4.76 113.70 112.68 1rit s SER 10 Ca 0.08 -0.67 0.01 0.00 0.48 0.00 0.00 55.95 55.85 1rit s SER 10 Cb 0.13 0.67 -0.05 0.00 0.10 0.00 0.00 66.02 66.87 1rit s SER 10 CO 0.63 -1.24 0.07 -0.36 0.98 0.00 0.00 173.24 173.32 1rit s PHE 11 N -3.94 1.37 -0.29 5.02 0.40 -0.29 -5.00 117.98 115.25 1rit s PHE 11 Ca 0.14 -1.16 -0.21 0.00 -0.60 0.00 0.00 56.93 55.10 1rit s PHE 11 Cb -0.04 -0.78 0.14 0.00 0.51 0.00 0.00 43.02 42.85 1rit s PHE 11 CO 0.06 -0.34 1.03 -1.54 0.70 0.00 0.00 175.22 175.12 1rit s SER 12 N -3.24 -0.45 1.00 1.36 1.04 -1.26 -4.09 113.70 108.05 1rit s SER 12 Ca 0.33 0.79 -0.12 0.00 0.48 0.00 0.00 55.95 57.44 1rit s SER 12 Cb 0.07 1.00 0.16 0.00 0.10 0.00 0.00 66.02 67.35 1rit s SER 12 CO 0.10 -0.13 0.91 -0.62 0.98 0.00 0.00 173.24 174.48 1rit n GLU 13 N 2.92 -1.00 0.00 4.02 1.02 -1.26 -3.17 120.64 123.17 1rit n GLU 13 Ca -0.15 -0.24 0.00 0.00 -0.02 0.00 0.00 57.16 56.75 1rit n GLU 13 Cb 0.57 -2.19 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 1rit n GLU 13 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rit n GLY 14 N 0.79 2.33 3.64 0.62 0.00 -1.26 -5.00 105.19 106.30 1rit n GLY 14 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.72 6.69 0.00 1.61 3.04 -1.19 -4.88 114.94 117.48 1rit s ASN 15 Ca 0.00 1.39 0.04 0.00 0.04 0.00 0.00 52.86 54.33 1rit s ASN 15 Cb 0.00 -2.54 0.21 0.00 -1.54 0.00 0.00 41.25 37.38 1rit s ASN 15 CO 0.00 -1.04 1.00 -0.81 -3.04 0.00 0.00 177.10 173.22 1rit n PRO 16 N 7.21 0.05 0.06 0.43 -0.04 -1.26 -2.27 135.00 139.18 1rit n PRO 16 Ca 0.15 0.29 0.13 0.00 -0.04 0.00 0.00 63.50 64.03 1rit n PRO 16 Cb 0.46 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.34 2.48 -3.36 0.55 0.00 -1.26 -4.70 120.51 112.88 1rit n ALA 17 Ca 0.02 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 1rit n ALA 17 Cb 0.04 -1.40 -0.16 0.00 0.00 0.00 0.00 19.45 17.92 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 -3.08 0.81 -0.17 0.00 1.01 -0.96 0.41 121.20 119.22 1rit s ILE 18 Ca 0.11 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.36 1rit s ILE 18 Cb 0.15 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 1rit s ILE 18 CO 0.61 0.27 0.07 0.20 0.00 0.00 0.00 174.94 176.09 1rit s ASN 19 N 0.57 5.71 -0.35 3.58 0.02 0.31 -4.82 114.94 119.96 1rit s ASN 19 Ca -0.10 0.13 -0.10 0.00 -1.02 0.00 0.00 52.86 51.78 1rit s ASN 19 Cb -0.13 -1.95 0.02 0.00 0.02 0.00 0.00 41.25 39.21 1rit s ASN 19 CO 0.01 0.21 0.17 -0.36 0.02 0.00 0.00 177.10 177.15 1rit s PHE 20 N 0.16 3.22 -0.22 2.20 0.08 -1.26 -1.38 117.98 120.79 1rit s PHE 20 Ca 0.05 -0.92 -0.05 0.00 0.12 0.00 0.00 56.93 56.13 1rit s PHE 20 Cb -0.12 -2.39 -0.02 0.00 -0.57 0.00 0.00 43.02 39.92 1rit s PHE 20 CO 0.00 -0.60 -0.00 -0.65 -0.10 0.00 0.00 175.22 173.87 1rit s GLN 21 N 1.55 3.53 0.06 0.44 -0.21 -0.70 -4.96 119.66 119.35 1rit s GLN 21 Ca 0.02 -0.56 0.00 0.00 0.02 0.00 0.00 55.36 54.85 1rit s GLN 21 Cb -0.18 -3.10 0.00 0.00 1.00 0.00 0.00 33.01 30.72 1rit s GLN 21 CO 0.06 -0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.52 1rit n GLY 22 N 4.61 -0.14 1.05 3.09 0.00 -1.26 0.51 105.19 113.06 1rit n GLY 22 Ca -0.17 -1.82 -0.01 0.00 0.00 0.00 0.00 46.02 44.02 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 0.02 3.05 -4.70 1.61 8.00 0.41 -4.89 116.55 120.06 1rit n ASP 23 Ca 0.00 -2.07 -0.42 0.00 0.71 0.00 0.00 54.79 53.01 1rit n ASP 23 Cb 0.00 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.55 1rit n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1rit s VAL 24 N -0.13 3.96 -0.09 2.53 1.01 -1.24 -4.13 120.40 122.31 1rit s VAL 24 Ca 0.02 1.37 0.01 0.00 0.00 0.00 0.00 61.98 63.39 1rit s VAL 24 Cb 0.02 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1rit s VAL 24 CO 0.00 0.06 -0.10 0.28 0.00 0.00 0.00 175.10 175.35 1rit s THR 25 N 1.57 1.07 -0.23 3.92 -1.32 -0.25 -5.00 115.64 115.38 1rit s THR 25 Ca 0.59 -0.38 -0.21 0.00 -1.21 0.00 0.00 61.69 60.48 1rit s THR 25 Cb -0.29 -1.03 -0.02 0.00 -1.51 0.00 0.00 72.50 69.65 1rit s THR 25 CO 0.27 0.36 0.66 -0.69 -2.21 0.00 0.00 174.62 173.01 1rit s VAL 26 N 1.13 4.97 0.64 5.08 1.01 -1.26 -0.88 120.40 131.09 1rit s VAL 26 Ca -0.06 1.21 -0.14 0.00 0.00 0.00 0.00 61.98 63.00 1rit s VAL 26 Cb -0.14 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1rit s VAL 26 CO -0.02 0.04 1.06 -0.76 0.00 0.00 0.00 175.10 175.42 1rit s LEU 27 N 2.36 3.35 0.00 3.92 1.43 0.71 -4.90 118.68 125.55 1rit s LEU 27 Ca 0.28 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 1rit s LEU 27 Cb -0.16 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.55 1rit s LEU 27 CO 0.09 -1.28 0.25 -1.54 0.23 0.00 0.00 176.35 174.10 1rit n SER 28 N -2.49 0.33 -0.82 2.29 3.41 -1.26 -2.11 113.62 112.97 1rit n SER 28 Ca 0.08 -0.82 0.04 0.00 -0.26 0.00 0.00 58.87 57.91 1rit n SER 28 Cb 0.53 -0.16 0.05 0.00 -0.26 0.00 0.00 64.21 64.37 1rit n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1rit n ASN 29 N 0.13 0.92 -1.36 4.04 6.94 -1.26 -4.99 115.26 119.68 1rit n ASN 29 Ca 0.00 -2.41 -0.15 0.00 -0.02 0.00 0.00 54.58 52.01 1rit n ASN 29 Cb 0.08 -0.31 -0.04 0.00 -2.36 0.00 0.00 39.78 37.15 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 -0.16 0.71 3.54 4.83 0.00 -0.89 -4.88 105.19 108.33 1rit n GLY 30 Ca 0.07 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.62 4.34 -0.17 1.61 0.02 -1.25 -1.14 114.94 115.73 1rit s ASN 31 Ca 0.00 -0.19 -0.12 0.00 -1.02 0.00 0.00 52.86 51.53 1rit s ASN 31 Cb 0.00 -0.95 -0.05 0.00 0.02 0.00 0.00 41.25 40.27 1rit s ASN 31 CO 0.00 0.30 0.22 -0.63 0.02 0.00 0.00 177.10 177.01 1rit s ILE 32 N -0.90 5.36 -0.27 0.60 1.01 -1.05 -0.21 121.20 125.74 1rit s ILE 32 Ca 0.15 0.38 -0.06 0.00 0.00 0.00 0.00 60.65 61.11 1rit s ILE 32 Cb -0.11 -3.55 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 1rit s ILE 32 CO 0.05 0.42 0.05 -1.58 0.00 0.00 0.00 174.94 173.88 1rit s GLN 33 N 0.33 3.26 0.13 2.79 0.74 -0.06 -1.26 119.66 125.59 1rit s GLN 33 Ca 0.13 -0.74 -0.06 0.00 0.05 0.00 0.00 55.36 54.74 1rit s GLN 33 Cb -0.12 -3.28 -0.08 0.00 1.10 0.00 0.00 33.01 30.63 1rit s GLN 33 CO 0.01 -0.34 1.32 -0.07 -0.55 0.00 0.00 175.29 175.67 1rit h LEU 34 N 8.20 0.63 -9.20 3.68 3.38 -1.14 -0.65 115.31 120.20 1rit h LEU 34 Ca -0.35 -0.46 -0.62 0.00 0.09 0.00 0.00 57.88 56.54 1rit h LEU 34 Cb 1.14 -0.19 -0.15 0.00 0.09 0.00 0.00 40.66 41.55 1rit h LEU 34 CO 0.60 1.25 -0.77 0.42 0.09 0.00 0.00 178.44 180.03 1rit s THR 35 N -3.43 2.61 -0.19 0.22 -4.23 -1.26 -3.59 115.64 105.77 1rit s THR 35 Ca -0.07 -2.15 -0.18 0.00 -1.18 0.00 0.00 61.69 58.11 1rit s THR 35 Cb 0.09 -2.33 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 1rit s THR 35 CO 0.87 -0.27 0.49 0.21 -0.54 0.00 0.00 174.62 175.38 1rit s ASN 36 N -3.17 6.55 0.47 3.99 3.84 -1.26 -4.85 114.94 120.50 1rit s ASN 36 Ca 0.26 0.66 0.26 0.00 0.21 0.00 0.00 52.86 54.26 1rit s ASN 36 Cb -0.07 -2.28 0.92 0.00 -0.55 0.00 0.00 41.25 39.27 1rit s ASN 36 CO 0.14 -0.13 1.82 -0.07 -2.79 0.00 0.00 177.10 176.06 1rit h LEU 37 N 7.70 0.00 -3.05 3.21 4.07 -1.96 -3.21 115.31 122.08 1rit h LEU 37 Ca -0.35 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.61 1rit h LEU 37 Cb 1.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.90 1rit h LEU 37 CO 0.74 0.14 0.00 0.59 -1.08 0.00 0.00 178.44 178.83 1rit n ASN 38 N -3.24 4.80 -4.36 -0.43 3.02 -1.26 -4.93 115.26 108.86 1rit n ASN 38 Ca 0.01 -2.70 -0.25 0.00 -0.03 0.00 0.00 54.58 51.61 1rit n ASN 38 Cb 0.43 -0.63 -0.12 0.00 -0.61 0.00 0.00 39.78 38.84 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 -2.34 1.33 -0.09 3.52 1.02 -1.21 -5.11 119.74 116.85 1rit s LYS 39 Ca 0.45 -1.38 -0.19 0.00 0.02 0.00 0.00 55.97 54.88 1rit s LYS 39 Cb 0.33 -1.60 -0.04 0.00 -0.52 0.00 0.00 37.83 36.00 1rit s LYS 39 CO 0.15 0.35 0.51 0.08 -0.92 0.00 0.00 175.35 175.52 1rit s VAL 40 N -1.55 5.14 -1.02 3.17 1.01 -1.26 -4.09 120.40 121.80 1rit s VAL 40 Ca 0.15 1.03 -0.00 0.00 0.00 0.00 0.00 61.98 63.15 1rit s VAL 40 Cb -0.08 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1rit s VAL 40 CO 0.07 0.34 0.04 -0.46 0.00 0.00 0.00 175.10 175.09 1rit n ASN 41 N 3.48 -3.89 -4.56 3.32 0.23 -1.23 -4.94 115.26 107.67 1rit n ASN 41 Ca -0.07 -0.03 -0.36 0.00 -0.53 0.00 0.00 54.58 53.59 1rit n ASN 41 Cb 0.52 -3.06 0.07 0.00 -2.08 0.00 0.00 39.78 35.22 1rit n ASN 41 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1rit n SER 42 N -0.35 -0.10 -3.67 0.53 2.88 -1.25 -4.27 113.62 107.39 1rit n SER 42 Ca -0.14 0.68 -0.09 0.00 -1.33 0.00 0.00 58.87 57.99 1rit n SER 42 Cb 0.60 -1.33 -0.09 0.00 -0.75 0.00 0.00 64.21 62.65 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 -1.78 -0.01 -0.07 2.46 1.01 -1.26 -1.45 120.40 119.31 1rit s VAL 43 Ca 0.71 0.03 -0.14 0.00 0.00 0.00 0.00 61.98 62.59 1rit s VAL 43 Cb -0.37 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.21 1rit s VAL 43 CO 0.52 0.01 0.34 -0.83 0.00 0.00 0.00 175.10 175.14 1rit s GLY 44 N 1.33 -0.21 0.03 4.51 0.00 -1.09 -0.44 107.32 111.45 1rit s GLY 44 Ca -0.08 0.63 -0.01 0.00 0.00 0.00 0.00 44.72 45.25 1rit s GLY 44 CO -0.14 0.45 -0.00 0.50 0.00 0.00 0.00 173.10 173.91 1rit s ARG 45 N -0.68 0.42 -0.08 2.90 0.52 0.18 -1.09 118.95 121.13 1rit s ARG 45 Ca -0.08 -0.74 0.02 0.00 -0.52 0.00 0.00 55.73 54.41 1rit s ARG 45 Cb -0.04 0.15 0.02 0.00 0.52 0.00 0.00 34.95 35.60 1rit s ARG 45 CO 0.03 -0.08 -0.11 0.54 0.02 0.00 0.00 175.30 175.70 1rit s VAL 46 N -2.10 1.11 0.06 3.52 0.11 -0.17 -1.73 120.40 121.21 1rit s VAL 46 Ca -0.10 -0.43 0.07 0.00 -2.93 0.00 0.00 61.98 58.58 1rit s VAL 46 Cb -0.05 -1.05 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 1rit s VAL 46 CO -0.03 0.36 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.16 1rit s LEU 47 N 0.94 2.22 -0.33 2.54 1.43 -0.48 -1.31 118.68 123.69 1rit s LEU 47 Ca -0.09 -0.56 -0.29 0.00 -1.03 0.00 0.00 54.13 52.16 1rit s LEU 47 Cb -0.15 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.27 1rit s LEU 47 CO 0.00 0.07 1.39 -0.47 0.23 0.00 0.00 176.35 177.57 1rit s TYR 48 N -0.97 2.50 0.23 0.29 5.04 -0.41 -0.53 117.35 123.50 1rit s TYR 48 Ca 0.04 0.76 -0.09 0.00 -2.44 0.00 0.00 57.07 55.34 1rit s TYR 48 Cb -0.09 -4.05 0.33 0.00 0.35 0.00 0.00 41.96 38.50 1rit s TYR 48 CO 0.02 -1.98 1.33 0.00 -1.34 0.00 0.00 175.55 173.58 1rit n ALA 49 N 8.17 0.11 -1.81 3.97 0.00 0.17 -4.61 120.51 126.50 1rit n ALA 49 Ca 0.16 0.91 -0.38 0.00 0.00 0.00 0.00 53.44 54.13 1rit n ALA 49 Cb 0.47 -0.50 -0.06 0.00 0.00 0.00 0.00 19.45 19.35 1rit n ALA 49 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1rit s MET 50 N -5.99 4.64 0.23 0.00 -2.45 -1.26 -4.98 119.30 109.49 1rit s MET 50 Ca -0.12 1.33 -0.30 0.00 -1.25 0.00 0.00 55.69 55.34 1rit s MET 50 Cb 0.21 -2.98 -0.09 0.00 1.25 0.00 0.00 34.83 33.22 1rit s MET 50 CO 0.65 0.38 0.99 -2.14 1.05 0.00 0.00 175.02 175.95 1rit s PRO 51 N -1.72 4.77 -0.16 4.11 0.02 -1.26 -4.81 135.00 135.95 1rit s PRO 51 Ca 0.46 1.58 -0.04 0.00 0.02 0.00 0.00 61.00 63.02 1rit s PRO 51 Cb -0.21 -3.27 -0.03 0.00 0.02 0.00 0.00 34.50 31.01 1rit s PRO 51 CO 0.26 0.37 -0.03 0.08 -0.33 0.00 0.00 177.00 177.35 1rit s VAL 52 N -0.95 3.89 -0.82 3.83 1.01 -0.29 -4.91 120.40 122.17 1rit s VAL 52 Ca 0.43 -0.36 -0.26 0.00 0.00 0.00 0.00 61.98 61.80 1rit s VAL 52 Cb -0.27 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.43 1rit s VAL 52 CO 0.34 0.49 1.38 -0.60 0.00 0.00 0.00 175.10 176.71 1rit s ARG 53 N 0.41 3.26 0.33 2.72 3.52 -1.26 -1.90 118.95 126.03 1rit s ARG 53 Ca -0.04 -0.46 0.15 0.00 -0.13 0.00 0.00 55.73 55.25 1rit s ARG 53 Cb -0.14 -4.56 0.55 0.00 -1.56 0.00 0.00 34.95 29.24 1rit s ARG 53 CO 0.03 -2.23 1.69 -0.84 -0.81 0.00 0.00 175.30 173.15 1rit h ILE 54 N 6.33 1.17 -3.75 4.11 3.07 -1.45 -3.46 117.51 123.53 1rit h ILE 54 Ca -0.13 -1.75 -0.09 0.00 1.55 0.00 0.00 64.86 64.44 1rit h ILE 54 Cb 1.04 1.99 -0.15 0.00 -0.27 0.00 0.00 36.82 39.43 1rit h ILE 54 CO 1.32 0.47 -0.37 -1.66 -1.05 0.00 0.00 178.15 176.86 1rit s TRP 55 N -3.68 0.13 -0.19 0.16 1.48 -1.25 0.23 118.94 115.82 1rit s TRP 55 Ca -0.01 -0.51 -0.02 0.00 -1.06 0.00 0.00 56.10 54.50 1rit s TRP 55 Cb 0.12 -0.05 -0.00 0.00 -1.16 0.00 0.00 33.47 32.38 1rit s TRP 55 CO 0.72 -0.52 -0.10 0.45 -4.06 0.00 0.00 176.95 173.45 1rit s SER 56 N -2.68 3.97 0.35 -2.66 0.15 -0.90 -4.72 113.70 107.21 1rit s SER 56 Ca 0.03 -0.43 0.25 0.00 0.70 0.00 0.00 55.95 56.49 1rit s SER 56 Cb 0.03 -1.65 1.24 0.00 -1.71 0.00 0.00 66.02 63.94 1rit s SER 56 CO -0.09 0.03 1.76 0.77 1.20 0.00 0.00 173.24 176.90 1rit h SER 57 N 7.73 0.00 0.00 5.45 4.64 -1.95 0.53 113.55 129.95 1rit h SER 57 Ca -0.39 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.65 1rit h SER 57 Cb 1.17 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.22 1rit h SER 57 CO 0.60 0.00 -1.55 0.00 -0.87 0.00 0.00 176.83 175.01 1rit n ALA 58 N -1.82 0.87 0.08 5.18 0.00 -1.26 -4.47 120.51 119.09 1rit n ALA 58 Ca -0.00 -0.61 -0.17 0.00 0.00 0.00 0.00 53.44 52.65 1rit n ALA 58 Cb 0.11 -0.43 -0.09 0.00 0.00 0.00 0.00 19.45 19.04 1rit n ALA 58 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1rit h THR 59 N -0.95 1.38 0.00 0.00 1.35 -1.91 -3.47 112.91 109.31 1rit h THR 59 Ca -0.42 -2.57 0.00 0.00 -0.55 0.00 0.00 66.41 62.87 1rit h THR 59 Cb 1.40 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 70.42 1rit h THR 59 CO -0.24 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1rit n GLY 60 N 1.19 1.36 3.82 5.82 0.00 0.18 -5.03 105.19 112.53 1rit n GLY 60 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.00 5.60 -0.05 1.61 0.02 -1.25 -4.83 114.94 113.04 1rit s ASN 61 Ca 0.00 1.68 0.02 0.00 -1.02 0.00 0.00 52.86 53.54 1rit s ASN 61 Cb 0.00 -2.51 0.01 0.00 0.02 0.00 0.00 41.25 38.78 1rit s ASN 61 CO 0.00 -1.29 -0.09 -0.69 0.02 0.00 0.00 177.10 175.04 1rit s VAL 62 N -2.83 0.87 0.67 1.60 1.01 -1.26 -2.12 120.40 118.34 1rit s VAL 62 Ca 0.60 -0.34 -0.15 0.00 0.00 0.00 0.00 61.98 62.09 1rit s VAL 62 Cb -0.14 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.43 1rit s VAL 62 CO 0.48 0.29 1.11 0.00 0.00 0.00 0.00 175.10 176.98 1rit s ALA 63 N 0.62 2.44 0.16 5.51 0.00 0.14 -4.52 121.76 126.11 1rit s ALA 63 Ca -0.11 0.54 0.07 0.00 0.00 0.00 0.00 51.96 52.45 1rit s ALA 63 Cb -0.14 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 1rit s ALA 63 CO 0.02 -1.33 0.00 -1.12 0.00 0.00 0.00 175.76 173.33 1rit s SER 64 N -2.63 4.82 -0.01 0.00 0.01 -0.96 -4.40 113.70 110.53 1rit s SER 64 Ca 0.67 -0.36 -0.11 0.00 1.31 0.00 0.00 55.95 57.45 1rit s SER 64 Cb -0.20 -1.05 0.01 0.00 0.21 0.00 0.00 66.02 64.99 1rit s SER 64 CO 0.43 0.10 0.23 0.72 0.41 0.00 0.00 173.24 175.13 1rit s PHE 65 N -1.67 -0.08 -0.26 2.43 -0.12 -1.10 -0.79 117.98 116.40 1rit s PHE 65 Ca 0.27 0.08 0.01 0.00 -0.05 0.00 0.00 56.93 57.24 1rit s PHE 65 Cb -0.10 0.03 0.07 0.00 -0.63 0.00 0.00 43.02 42.40 1rit s PHE 65 CO 0.19 -0.34 -0.01 -1.17 -0.05 0.00 0.00 175.22 173.84 1rit s LEU 66 N -1.36 2.75 -0.02 -1.99 2.96 0.19 -1.35 118.68 119.87 1rit s LEU 66 Ca -0.14 -1.38 0.05 0.00 -0.22 0.00 0.00 54.13 52.44 1rit s LEU 66 Cb -0.06 -1.16 -0.01 0.00 0.50 0.00 0.00 46.19 45.46 1rit s LEU 66 CO 0.03 -0.29 -0.16 0.28 -1.32 0.00 0.00 176.35 174.88 1rit s THR 67 N 1.39 1.31 0.02 3.68 -1.32 -0.38 -2.05 115.64 118.28 1rit s THR 67 Ca -0.00 -0.70 0.02 0.00 -1.21 0.00 0.00 61.69 59.79 1rit s THR 67 Cb -0.18 -1.10 -0.01 0.00 -1.51 0.00 0.00 72.50 69.70 1rit s THR 67 CO -0.10 0.37 -0.06 -0.94 -2.21 0.00 0.00 174.62 171.69 1rit s SER 68 N -0.32 0.63 0.18 8.08 1.04 -0.23 0.61 113.70 123.69 1rit s SER 68 Ca 0.05 -0.33 -0.14 0.00 0.48 0.00 0.00 55.95 56.01 1rit s SER 68 Cb -0.07 0.00 0.01 0.00 0.10 0.00 0.00 66.02 66.06 1rit s SER 68 CO -0.00 -0.10 0.42 0.72 0.98 0.00 0.00 173.24 175.25 1rit s PHE 69 N -0.82 0.12 0.03 5.02 -0.12 0.17 -1.27 117.98 121.11 1rit s PHE 69 Ca -0.06 -0.48 0.04 0.00 -0.05 0.00 0.00 56.93 56.39 1rit s PHE 69 Cb -0.06 0.19 -0.02 0.00 -0.63 0.00 0.00 43.02 42.50 1rit s PHE 69 CO -0.00 -0.84 -0.12 -1.54 -0.05 0.00 0.00 175.22 172.67 1rit s SER 70 N -2.92 1.44 0.29 1.98 1.04 -0.80 -0.38 113.70 114.35 1rit s SER 70 Ca 0.13 -0.39 -0.01 0.00 0.48 0.00 0.00 55.95 56.16 1rit s SER 70 Cb 0.01 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.01 1rit s SER 70 CO -0.01 0.03 0.33 0.72 0.98 0.00 0.00 173.24 175.29 1rit s PHE 71 N -0.73 1.18 -0.17 5.02 -0.12 -0.71 -0.94 117.98 121.51 1rit s PHE 71 Ca 0.01 -1.34 -0.15 0.00 -0.05 0.00 0.00 56.93 55.40 1rit s PHE 71 Cb -0.07 -0.34 0.05 0.00 -0.63 0.00 0.00 43.02 42.02 1rit s PHE 71 CO 0.01 -0.91 0.45 -2.00 -0.05 0.00 0.00 175.22 172.71 1rit s GLU 72 N -3.59 0.52 -0.31 1.99 2.12 0.25 -0.45 118.70 119.23 1rit s GLU 72 Ca 0.34 0.64 -0.00 0.00 0.36 0.00 0.00 54.97 56.31 1rit s GLU 72 Cb 0.02 0.24 0.10 0.00 0.26 0.00 0.00 34.13 34.75 1rit s GLU 72 CO 0.19 -0.07 0.09 -1.64 -0.54 0.00 0.00 175.26 173.29 1rit s MET 73 N 0.33 0.78 -0.02 4.30 -1.94 -1.26 -0.50 119.30 120.99 1rit s MET 73 Ca -0.01 -1.14 -0.15 0.00 -1.71 0.00 0.00 55.69 52.69 1rit s MET 73 Cb -0.04 -2.09 -0.05 0.00 2.01 0.00 0.00 34.83 34.66 1rit s MET 73 CO -0.01 -0.98 0.41 0.21 -0.01 0.00 0.00 175.02 174.64 1rit s LYS 74 N 1.56 3.98 0.88 2.03 2.20 -1.21 -3.09 119.74 126.10 1rit s LYS 74 Ca 0.10 0.39 -0.12 0.00 -0.36 0.00 0.00 55.97 55.98 1rit s LYS 74 Cb -0.17 -3.26 0.12 0.00 -1.51 0.00 0.00 37.83 33.01 1rit s LYS 74 CO -0.24 0.60 1.11 -0.51 -0.36 0.00 0.00 175.35 175.96 1rit s ASP 75 N -0.78 3.76 -0.04 1.43 1.01 -1.26 -2.05 116.67 118.74 1rit s ASP 75 Ca 0.23 1.17 -0.01 0.00 0.71 0.00 0.00 52.55 54.65 1rit s ASP 75 Cb -0.16 -1.83 0.03 0.00 1.01 0.00 0.00 42.92 41.97 1rit s ASP 75 CO 0.12 -2.41 0.04 0.27 0.21 0.00 0.00 175.17 173.40 1rit s ILE 76 N -3.16 0.04 -0.03 0.77 -4.36 -1.26 -4.85 121.20 108.35 1rit s ILE 76 Ca 0.63 0.30 -0.14 0.00 -0.26 0.00 0.00 60.65 61.18 1rit s ILE 76 Cb -0.15 -0.25 -0.07 0.00 1.25 0.00 0.00 42.46 43.24 1rit s ILE 76 CO 0.54 0.19 0.39 1.17 0.24 0.00 0.00 174.94 177.47 1rit n LYS 77 N 5.04 0.00 -3.42 0.37 4.81 -1.26 -2.30 118.16 121.40 1rit n LYS 77 Ca -0.09 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.17 1rit n LYS 77 Cb 0.50 -0.50 0.08 0.00 0.02 0.00 0.00 35.03 35.13 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 0.64 -3.29 -3.69 3.14 8.00 -1.26 -5.03 116.55 115.06 1rit n ASP 78 Ca 0.07 -0.57 -0.14 0.00 0.71 0.00 0.00 54.79 54.87 1rit n ASP 78 Cb 0.02 -4.88 -0.09 0.00 -0.02 0.00 0.00 41.12 36.15 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 -3.33 -0.48 -0.04 1.24 2.02 -0.97 -5.07 117.35 110.71 1rit s TYR 79 Ca 0.17 1.06 -0.29 0.00 -0.37 0.00 0.00 57.07 57.64 1rit s TYR 79 Cb -0.07 0.20 -0.02 0.00 -0.40 0.00 0.00 41.96 41.66 1rit s TYR 79 CO 0.70 -0.34 0.98 -0.51 -1.57 0.00 0.00 175.55 174.80 1rit s ASP 80 N -0.31 7.30 -0.32 2.29 1.11 -0.88 -4.72 116.67 121.14 1rit s ASP 80 Ca -0.05 1.58 -0.28 0.00 0.18 0.00 0.00 52.55 53.99 1rit s ASP 80 Cb -0.03 -2.56 -0.02 0.00 1.07 0.00 0.00 42.92 41.38 1rit s ASP 80 CO 0.03 -0.33 1.86 -2.84 1.18 0.00 0.00 175.17 175.07 1rit s PRO 81 N 1.39 3.30 0.15 8.23 0.02 -1.26 -0.23 135.00 146.60 1rit s PRO 81 Ca 0.50 1.50 -0.25 0.00 0.02 0.00 0.00 61.00 62.77 1rit s PRO 81 Cb -0.20 -4.22 0.06 0.00 0.02 0.00 0.00 34.50 30.16 1rit s PRO 81 CO 0.24 -1.90 0.87 0.00 -0.33 0.00 0.00 177.00 175.88 1rit s ALA 82 N 7.11 -1.61 -0.14 -1.55 0.00 -1.26 -4.29 121.76 120.04 1rit s ALA 82 Ca 0.82 0.25 0.21 0.00 0.00 0.00 0.00 51.96 53.24 1rit s ALA 82 Cb -0.24 0.66 -0.17 0.00 0.00 0.00 0.00 23.12 23.37 1rit s ALA 82 CO 0.34 -0.95 0.70 -0.25 0.00 0.00 0.00 175.76 175.59 1rit n ASP 83 N -0.42 0.48 0.00 0.00 8.00 0.14 -3.36 116.55 121.38 1rit n ASP 83 Ca -0.07 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1rit n ASP 83 Cb 0.61 0.96 0.00 0.00 -0.02 0.00 0.00 41.12 42.67 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 1.32 2.57 4.01 0.44 0.00 -1.26 -2.84 105.19 109.43 1rit n GLY 84 Ca -0.07 -2.03 -0.17 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.89 2.93 -0.23 -0.61 1.01 -1.18 -4.10 121.20 117.14 1rit s ILE 85 Ca 0.00 -0.99 -0.17 0.00 0.00 0.00 0.00 60.65 59.50 1rit s ILE 85 Cb 0.00 -2.94 0.07 0.00 0.01 0.00 0.00 42.46 39.59 1rit s ILE 85 CO 0.00 0.00 0.59 -0.51 0.00 0.00 0.00 174.94 175.02 1rit s ILE 86 N -2.39 -0.01 -0.24 2.92 2.07 -0.20 -1.75 121.20 121.60 1rit s ILE 86 Ca 0.56 0.02 -0.08 0.00 -1.41 0.00 0.00 60.65 59.73 1rit s ILE 86 Cb -0.10 -0.84 -0.04 0.00 0.13 0.00 0.00 42.46 41.61 1rit s ILE 86 CO 0.34 0.01 0.10 0.12 -1.91 0.00 0.00 174.94 173.59 1rit s PHE 87 N 1.01 3.16 0.18 3.50 5.36 -0.37 -0.03 117.98 130.79 1rit s PHE 87 Ca -0.06 -0.16 -0.01 0.00 -0.96 0.00 0.00 56.93 55.74 1rit s PHE 87 Cb -0.05 -2.23 -0.04 0.00 -0.34 0.00 0.00 43.02 40.36 1rit s PHE 87 CO -0.09 -0.18 0.12 -0.59 -1.46 0.00 0.00 175.22 173.02 1rit s PHE 88 N 1.33 1.05 -0.07 10.12 -0.71 0.07 -0.52 117.98 129.25 1rit s PHE 88 Ca 0.06 -1.32 0.03 0.00 -1.04 0.00 0.00 56.93 54.65 1rit s PHE 88 Cb -0.15 -0.52 0.01 0.00 -1.21 0.00 0.00 43.02 41.16 1rit s PHE 88 CO 0.05 -0.61 -0.14 0.42 -1.34 0.00 0.00 175.22 173.59 1rit s ILE 89 N -4.12 1.26 0.21 -4.49 1.01 0.84 -1.94 121.20 113.96 1rit s ILE 89 Ca 0.34 -0.56 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 1rit s ILE 89 Cb 0.07 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 1rit s ILE 89 CO 0.09 0.38 0.23 0.00 0.00 0.00 0.00 174.94 175.64 1rit s ALA 90 N 0.58 0.71 0.34 9.38 0.00 -0.88 -1.18 121.76 130.70 1rit s ALA 90 Ca -0.14 -1.42 -0.29 0.00 0.00 0.00 0.00 51.96 50.11 1rit s ALA 90 Cb -0.16 1.24 -0.11 0.00 0.00 0.00 0.00 23.12 24.10 1rit s ALA 90 CO 0.04 -0.66 1.43 -2.14 0.00 0.00 0.00 175.76 174.43 1rit s PRO 91 N -4.11 4.21 0.55 0.00 0.02 -1.26 -0.33 135.00 134.09 1rit s PRO 91 Ca 0.33 2.42 0.43 0.00 0.02 0.00 0.00 61.00 64.20 1rit s PRO 91 Cb 0.05 -3.02 1.62 0.00 0.02 0.00 0.00 34.50 33.17 1rit s PRO 91 CO 0.10 -0.41 1.68 1.05 -0.33 0.00 0.00 177.00 179.09 1rit h GLU 92 N 3.45 0.00 -0.03 5.54 4.11 -1.76 0.28 114.58 126.18 1rit h GLU 92 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1rit h GLU 92 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1rit h GLU 92 CO 0.67 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.35 1rit n ASP 93 N -4.02 0.59 -4.63 3.06 5.68 -1.26 -4.91 116.55 111.06 1rit n ASP 93 Ca 0.34 -1.31 -0.65 0.00 -0.50 0.00 0.00 54.79 52.67 1rit n ASP 93 Cb 1.61 -0.01 -0.10 0.00 -1.14 0.00 0.00 41.12 41.47 1rit n ASP 93 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1rit n THR 94 N -0.49 0.03 -3.95 2.12 5.66 1.00 -4.98 114.28 113.68 1rit n THR 94 Ca 0.20 -0.01 -0.22 0.00 -3.05 0.00 0.00 64.05 60.97 1rit n THR 94 Cb 0.19 -0.59 -0.02 0.00 -1.55 0.00 0.00 70.33 68.35 1rit n THR 94 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1rit s GLN 95 N 3.77 3.44 -0.20 1.09 -1.52 -1.26 -5.05 119.66 119.93 1rit s GLN 95 Ca 1.08 -0.73 -0.29 0.00 -1.95 0.00 0.00 55.36 53.47 1rit s GLN 95 Cb -1.45 -2.89 0.00 0.00 -0.22 0.00 0.00 33.01 28.46 1rit s GLN 95 CO 0.76 0.43 1.03 -1.50 -0.25 0.00 0.00 175.29 175.76 1rit s ILE 96 N -1.96 4.71 0.98 1.08 2.07 -1.26 -5.00 121.20 121.82 1rit s ILE 96 Ca 0.34 2.03 -0.15 0.00 -1.41 0.00 0.00 60.65 61.46 1rit s ILE 96 Cb -0.09 -4.31 -0.05 0.00 0.13 0.00 0.00 42.46 38.14 1rit s ILE 96 CO 0.29 -0.13 -0.22 -2.65 -1.91 0.00 0.00 174.94 170.32 1rit n PRO 97 N 6.00 -0.19 -1.90 3.50 -0.02 -1.26 -4.87 135.00 136.25 1rit n PRO 97 Ca 0.11 -0.04 -0.42 0.00 -2.02 0.00 0.00 63.50 61.14 1rit n PRO 97 Cb 0.47 -1.43 -0.02 0.00 -0.02 0.00 0.00 33.50 32.49 1rit n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rit s ALA 98 N -2.20 3.75 0.42 3.55 0.00 -1.26 -4.95 121.76 121.06 1rit s ALA 98 Ca 0.48 1.42 -0.26 0.00 0.00 0.00 0.00 51.96 53.61 1rit s ALA 98 Cb -0.18 -3.62 -0.09 0.00 0.00 0.00 0.00 23.12 19.23 1rit s ALA 98 CO 0.75 -0.83 1.33 0.20 0.00 0.00 0.00 175.76 177.21 1rit s GLY 99 N 0.78 2.92 0.40 0.00 0.00 -1.26 -4.93 107.32 105.23 1rit s GLY 99 Ca 0.66 1.28 0.03 0.00 0.00 0.00 0.00 44.72 46.70 1rit s GLY 99 CO 0.38 1.87 0.09 -0.56 0.00 0.00 0.00 173.10 174.88 1rit s SER 100 N -0.69 2.90 0.00 1.64 0.01 -1.26 -5.08 113.70 111.22 1rit s SER 100 Ca 0.58 -1.58 0.00 0.00 1.31 0.00 0.00 55.95 56.26 1rit s SER 100 Cb -0.39 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.16 1rit s SER 100 CO 0.50 -0.82 0.00 2.30 0.41 0.00 0.00 173.24 175.63 1rit n ILE 101 N -0.90 0.00 -0.06 1.44 -5.35 -1.26 -4.07 119.36 109.15 1rit n ILE 101 Ca -0.07 0.08 0.02 0.00 -0.27 0.00 0.00 62.75 62.51 1rit n ILE 101 Cb 0.66 -0.92 0.35 0.00 -1.74 0.00 0.00 39.64 37.99 1rit n ILE 101 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1rit h GLY 102 N 0.00 0.72 -1.75 3.28 0.00 -1.93 -2.95 103.07 100.43 1rit h GLY 102 Ca 0.00 -0.29 -0.40 0.00 0.00 0.00 0.00 47.33 46.64 1rit h GLY 102 CO 0.00 0.28 -2.09 0.61 0.00 0.00 0.00 176.54 175.35 1rit n GLY 103 N -1.36 -2.66 2.52 4.60 0.00 -1.26 -4.70 105.19 102.33 1rit n GLY 103 Ca 0.04 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 1rit n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rit n GLY 104 N 2.82 1.42 0.29 -0.02 0.00 -1.26 -4.48 105.19 103.95 1rit n GLY 104 Ca -0.02 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.55 1rit n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rit n THR 105 N 1.03 0.05 -1.47 2.61 -2.24 -1.26 -4.90 114.28 108.11 1rit n THR 105 Ca 0.14 -0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.61 1rit n THR 105 Cb 0.63 0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.87 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 -0.27 -1.04 -1.09 3.22 4.77 -1.26 -2.01 117.00 119.32 1rit n LEU 106 Ca 0.18 0.33 -0.12 0.00 -0.03 0.00 0.00 56.01 56.38 1rit n LEU 106 Cb 0.23 -2.10 -0.03 0.00 -2.33 0.00 0.00 43.42 39.19 1rit n LEU 106 CO 0.15 -0.69 -0.13 0.61 -1.33 0.00 0.00 177.39 175.99 1rit n GLY 107 N -0.30 0.64 0.00 -0.72 0.00 -1.24 -3.40 105.19 100.16 1rit n GLY 107 Ca -0.14 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.29 0.08 -4.16 1.61 0.24 -0.85 -4.32 118.33 107.65 1rit n VAL 108 Ca -0.13 -0.17 -0.13 0.00 -2.04 0.00 0.00 64.34 61.87 1rit n VAL 108 Cb 0.49 1.46 -0.08 0.00 -1.47 0.00 0.00 33.84 34.24 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 -0.08 0.50 0.89 -1.34 1.04 -1.24 -4.57 113.70 108.89 1rit s SER 109 Ca 0.00 -1.39 -0.07 0.00 0.48 0.00 0.00 55.95 54.98 1rit s SER 109 Cb 0.00 0.49 0.12 0.00 0.10 0.00 0.00 66.02 66.73 1rit s SER 109 CO 0.00 -1.00 0.70 -0.90 0.98 0.00 0.00 173.24 173.02 1rit n ASP 110 N -0.69 0.25 -0.13 7.02 5.68 -0.16 -4.61 116.55 123.90 1rit n ASP 110 Ca 0.02 -1.37 0.11 0.00 -0.50 0.00 0.00 54.79 53.05 1rit n ASP 110 Cb 0.64 -0.52 0.45 0.00 -1.14 0.00 0.00 41.12 40.55 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 -1.19 0.92 0.00 2.12 2.02 -1.91 -1.15 112.91 113.72 1rit h THR 111 Ca -0.23 -0.18 -0.10 0.00 0.77 0.00 0.00 66.41 66.67 1rit h THR 111 Cb 0.68 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1rit h THR 111 CO 0.18 0.10 -0.46 0.11 0.37 0.00 0.00 175.52 175.81 1rit h LYS 112 N 0.53 0.00 0.00 6.66 1.79 -2.00 -3.47 116.57 120.08 1rit h LYS 112 Ca 0.31 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 1rit h LYS 112 Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1rit h LYS 112 CO -0.10 0.46 0.00 0.41 -1.08 0.00 0.00 179.45 179.14 1rit n GLY 113 N 0.23 1.10 3.93 3.86 0.00 -0.43 -4.98 105.19 108.90 1rit n GLY 113 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 3.63 0.00 4.61 0.00 -1.26 -1.26 121.76 125.48 1rit s ALA 114 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1rit s ALA 114 Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1rit s ALA 114 CO 0.00 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1rit n GLY 115 N -1.90 1.63 3.27 0.00 0.00 -1.07 -0.99 105.19 106.13 1rit n GLY 115 Ca -0.04 -0.75 -0.44 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.00 3.44 0.04 1.61 2.46 -1.26 -4.12 115.29 115.45 1rit s HIS 116 Ca 0.00 -1.75 -0.28 0.00 0.47 0.00 0.00 55.06 53.50 1rit s HIS 116 Cb 0.00 -3.67 0.10 0.00 -0.13 0.00 0.00 32.58 28.88 1rit s HIS 116 CO 0.00 -0.99 1.19 -0.59 -2.47 0.00 0.00 174.74 171.88 1rit s PHE 117 N 1.05 -0.04 -0.03 3.88 -0.71 -1.26 -4.37 117.98 116.50 1rit s PHE 117 Ca 0.08 -0.14 -0.01 0.00 -1.04 0.00 0.00 56.93 55.83 1rit s PHE 117 Cb -0.23 0.58 0.03 0.00 -1.21 0.00 0.00 43.02 42.19 1rit s PHE 117 CO -0.01 -0.46 0.06 0.08 -1.34 0.00 0.00 175.22 173.54 1rit s VAL 118 N -2.53 -0.06 0.31 -2.49 1.01 -0.33 0.13 120.40 116.43 1rit s VAL 118 Ca 0.17 0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.18 1rit s VAL 118 Cb 0.02 -0.12 0.03 0.00 0.00 0.00 0.00 36.38 36.31 1rit s VAL 118 CO -0.01 0.09 0.72 -0.83 0.00 0.00 0.00 175.10 175.07 1rit s GLY 119 N 1.15 0.09 -0.19 4.51 0.00 -0.41 -0.12 107.32 112.36 1rit s GLY 119 Ca -0.08 -0.47 -0.04 0.00 0.00 0.00 0.00 44.72 44.12 1rit s GLY 119 CO -0.04 -0.19 -0.03 0.14 0.00 0.00 0.00 173.10 172.98 1rit s VAL 120 N -3.51 3.70 0.05 1.40 1.01 0.33 -0.11 120.40 123.26 1rit s VAL 120 Ca 0.13 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.74 1rit s VAL 120 Cb -0.05 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1rit s VAL 120 CO 0.08 0.45 -0.00 -1.83 0.00 0.00 0.00 175.10 173.80 1rit s GLU 121 N 0.96 2.63 -0.61 2.72 -1.05 -0.84 -1.23 118.70 121.29 1rit s GLU 121 Ca 0.00 -0.75 0.06 0.00 -0.15 0.00 0.00 54.97 54.14 1rit s GLU 121 Cb -0.15 -2.59 0.26 0.00 -0.44 0.00 0.00 34.13 31.22 1rit s GLU 121 CO 0.01 0.57 0.74 1.19 0.95 0.00 0.00 175.26 178.72 1rit n PHE 122 N 0.91 3.29 -2.48 4.83 3.72 -0.72 -0.97 117.46 126.04 1rit n PHE 122 Ca -0.12 -4.09 -0.42 0.00 -0.05 0.00 0.00 57.45 52.77 1rit n PHE 122 Cb 0.52 -0.54 -0.03 0.00 -0.94 0.00 0.00 39.48 38.50 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 -2.42 7.14 -0.08 4.37 -1.08 -0.85 -3.08 116.67 120.68 1rit s ASP 123 Ca 0.40 1.94 0.11 0.00 -0.52 0.00 0.00 52.55 54.49 1rit s ASP 123 Cb 0.16 -2.58 0.24 0.00 -1.46 0.00 0.00 42.92 39.29 1rit s ASP 123 CO -0.03 -0.42 1.17 0.35 0.52 0.00 0.00 175.17 176.76 1rit n THR 124 N 3.90 1.55 -3.67 1.71 -2.24 -1.13 -1.78 114.28 112.63 1rit n THR 124 Ca 0.08 -1.62 -0.08 0.00 -2.27 0.00 0.00 64.05 60.16 1rit n THR 124 Cb 0.47 0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 68.71 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 -2.01 -0.81 0.17 4.78 6.14 -1.26 -4.76 117.35 119.61 1rit s TYR 125 Ca 0.23 1.56 -0.30 0.00 0.64 0.00 0.00 57.07 59.20 1rit s TYR 125 Cb 0.18 0.36 -0.07 0.00 0.42 0.00 0.00 41.96 42.84 1rit s TYR 125 CO 0.05 -0.46 1.07 0.45 0.64 0.00 0.00 175.55 177.30 1rit s SER 126 N 2.24 7.32 -0.27 4.32 0.15 -1.26 -5.01 113.70 121.20 1rit s SER 126 Ca -0.05 2.04 -0.01 0.00 0.70 0.00 0.00 55.95 58.64 1rit s SER 126 Cb -0.11 -2.60 0.08 0.00 -1.71 0.00 0.00 66.02 61.68 1rit s SER 126 CO -0.14 -0.17 0.05 0.20 1.20 0.00 0.00 173.24 174.38 1rit s ASN 127 N -0.18 3.74 0.53 5.45 -0.87 -1.26 -4.98 114.94 117.37 1rit s ASN 127 Ca 0.48 -1.36 0.39 0.00 -1.57 0.00 0.00 52.86 50.80 1rit s ASN 127 Cb -0.28 -0.89 1.57 0.00 -0.02 0.00 0.00 41.25 41.63 1rit s ASN 127 CO 0.34 -0.35 1.70 0.77 -2.57 0.00 0.00 177.10 176.99 1rit h SER 128 N 8.08 0.06 0.11 -1.22 4.64 -1.95 0.15 113.55 123.42 1rit h SER 128 Ca -0.15 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1rit h SER 128 Cb 1.05 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1rit h SER 128 CO 0.43 -0.02 -0.01 1.05 -0.87 0.00 0.00 176.83 177.41 1rit h GLU 129 N 0.04 0.00 0.00 4.77 9.09 -1.97 -2.98 114.58 123.53 1rit h GLU 129 Ca 0.72 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.13 1rit h GLU 129 Cb 2.76 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.86 1rit h GLU 129 CO -0.08 0.01 -0.15 0.66 0.05 0.00 0.00 179.01 179.51 1rit n TYR 130 N -3.36 0.00 -1.09 2.06 4.01 0.52 -4.99 117.16 114.31 1rit n TYR 130 Ca -0.03 -0.54 -0.03 0.00 -0.16 0.00 0.00 57.90 57.14 1rit n TYR 130 Cb 0.11 -0.09 -0.01 0.00 -0.31 0.00 0.00 39.34 39.03 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 -0.74 -4.04 -4.72 7.72 4.13 -1.13 -4.28 115.26 112.21 1rit n ASN 131 Ca 0.07 0.08 -0.59 0.00 1.68 0.00 0.00 54.58 55.82 1rit n ASN 131 Cb 0.59 -1.81 -0.08 0.00 -1.54 0.00 0.00 39.78 36.94 1rit n ASN 131 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1rit n ASP 132 N 0.08 2.15 -4.43 6.41 9.92 -1.17 -4.87 116.55 124.63 1rit n ASP 132 Ca -0.03 1.10 -0.34 0.00 -0.53 0.00 0.00 54.79 54.98 1rit n ASP 132 Cb 0.21 -1.09 0.10 0.00 -0.64 0.00 0.00 41.12 39.69 1rit n ASP 132 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1rit n PRO 133 N 5.06 -0.00 -0.33 -0.24 -0.02 -1.26 -4.52 135.00 133.69 1rit n PRO 133 Ca 0.27 0.05 0.26 0.00 -2.02 0.00 0.00 63.50 62.06 1rit n PRO 133 Cb 0.10 -1.83 0.50 0.00 -0.02 0.00 0.00 33.50 32.25 1rit n PRO 133 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1rit h PRO 134 N -0.99 0.14 0.00 0.52 0.13 -2.01 -3.43 132.00 126.36 1rit h PRO 134 Ca -0.44 -0.01 -0.35 0.00 -0.87 0.00 0.00 66.00 64.33 1rit h PRO 134 Cb 1.31 -0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.34 1rit h PRO 134 CO 0.38 0.09 -0.28 0.25 -0.23 0.00 0.00 178.00 178.21 1rit n THR 135 N -5.19 0.00 -1.52 1.56 -2.24 -1.26 -4.69 114.28 100.94 1rit n THR 135 Ca 0.33 -1.41 -0.45 0.00 -2.27 0.00 0.00 64.05 60.24 1rit n THR 135 Cb 1.09 0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 69.75 1rit n THR 135 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1rit n ASP 136 N -1.59 0.28 -3.84 3.42 9.92 -1.26 -4.87 116.55 118.61 1rit n ASP 136 Ca -0.06 1.14 -0.09 0.00 -0.53 0.00 0.00 54.79 55.25 1rit n ASP 136 Cb 0.37 -1.16 -0.04 0.00 -0.64 0.00 0.00 41.12 39.64 1rit n ASP 136 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 1rit s HIS 137 N -1.07 0.04 -0.10 1.24 -3.43 -0.73 -1.73 115.29 109.51 1rit s HIS 137 Ca 0.61 -0.40 0.03 0.00 -0.80 0.00 0.00 55.06 54.50 1rit s HIS 137 Cb -0.77 0.35 -0.01 0.00 -1.43 0.00 0.00 32.58 30.73 1rit s HIS 137 CO 0.59 -0.97 -0.20 0.08 -2.00 0.00 0.00 174.74 172.23 1rit s VAL 138 N -3.93 2.42 0.40 -5.38 1.01 -0.86 -2.00 120.40 112.06 1rit s VAL 138 Ca 0.14 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1rit s VAL 138 Cb -0.01 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1rit s VAL 138 CO 0.02 0.55 0.12 -0.83 0.00 0.00 0.00 175.10 174.96 1rit s GLY 139 N 0.17 2.55 -0.31 4.51 0.00 -0.14 -1.71 107.32 112.38 1rit s GLY 139 Ca -0.11 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.29 1rit s GLY 139 CO 0.06 -1.83 0.08 -0.42 0.00 0.00 0.00 173.10 170.99 1rit s ILE 140 N -3.23 1.24 0.10 0.90 -1.09 -0.80 -1.98 121.20 116.34 1rit s ILE 140 Ca 0.25 -1.61 -0.14 0.00 -2.23 0.00 0.00 60.65 56.92 1rit s ILE 140 Cb 0.03 -1.91 -0.06 0.00 -1.58 0.00 0.00 42.46 38.94 1rit s ILE 140 CO 0.14 -0.63 0.49 -1.81 -1.23 0.00 0.00 174.94 171.91 1rit s ASP 141 N 1.44 6.81 -0.30 3.58 1.11 0.84 -1.05 116.67 129.10 1rit s ASP 141 Ca 0.09 1.01 -0.04 0.00 0.18 0.00 0.00 52.55 53.80 1rit s ASP 141 Cb -0.18 -2.26 0.10 0.00 1.07 0.00 0.00 42.92 41.65 1rit s ASP 141 CO -0.20 0.17 0.13 -0.69 1.18 0.00 0.00 175.17 175.77 1rit s VAL 142 N -1.35 0.01 -1.94 -1.27 1.01 -1.26 -1.28 120.40 114.31 1rit s VAL 142 Ca 0.33 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1rit s VAL 142 Cb -0.16 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1rit s VAL 142 CO 0.18 -0.74 0.00 0.59 0.00 0.00 0.00 175.10 175.13 1rit n ASN 143 N 5.15 -5.31 -3.64 3.32 3.02 0.12 -4.93 115.26 113.00 1rit n ASN 143 Ca -0.05 0.45 -0.10 0.00 -0.03 0.00 0.00 54.58 54.85 1rit n ASN 143 Cb 0.42 -4.56 -0.07 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 -2.63 -0.62 0.00 6.41 0.15 -1.26 -2.61 113.70 113.14 1rit s SER 144 Ca 0.00 1.16 0.22 0.00 0.70 0.00 0.00 55.95 58.03 1rit s SER 144 Cb 0.00 1.19 1.14 0.00 -1.71 0.00 0.00 66.02 66.65 1rit s SER 144 CO 0.00 -0.20 1.71 1.33 1.20 0.00 0.00 173.24 177.28 1rit n VAL 145 N 2.71 0.27 -2.91 4.45 0.24 -0.39 -4.14 118.33 118.57 1rit n VAL 145 Ca -0.14 0.07 -0.44 0.00 -2.04 0.00 0.00 64.34 61.79 1rit n VAL 145 Cb 0.56 -0.71 -0.00 0.00 -1.47 0.00 0.00 33.84 32.22 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 -2.47 6.98 0.16 -1.34 -1.08 -1.26 -4.96 116.67 112.70 1rit s ASP 146 Ca 0.23 -2.79 -0.21 0.00 -0.52 0.00 0.00 52.55 49.26 1rit s ASP 146 Cb 0.15 -2.42 -0.13 0.00 -1.46 0.00 0.00 42.92 39.06 1rit s ASP 146 CO 0.32 -0.84 0.37 -1.20 0.52 0.00 0.00 175.17 174.35 1rit n SER 147 N 6.06 -1.01 -0.06 -0.34 7.64 -1.26 -4.88 113.62 119.77 1rit n SER 147 Ca 0.36 0.84 -0.13 0.00 1.01 0.00 0.00 58.87 60.95 1rit n SER 147 Cb 0.44 -0.71 -0.07 0.00 -1.01 0.00 0.00 64.21 62.86 1rit n SER 147 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1rit h VAL 148 N 0.73 1.34 -4.01 0.44 2.07 -1.41 -3.45 116.25 111.96 1rit h VAL 148 Ca -0.22 -1.39 -0.19 0.00 0.82 0.00 0.00 66.70 65.72 1rit h VAL 148 Cb 1.09 1.85 -0.19 0.00 -1.52 0.00 0.00 31.29 32.52 1rit h VAL 148 CO 0.43 0.42 -0.70 -0.75 0.02 0.00 0.00 177.57 176.98 1rit s LYS 149 N -4.25 0.50 0.05 1.57 2.20 -1.24 -5.01 119.74 113.56 1rit s LYS 149 Ca -0.14 -0.87 -0.07 0.00 -0.36 0.00 0.00 55.97 54.53 1rit s LYS 149 Cb 0.06 -0.01 -0.01 0.00 -1.51 0.00 0.00 37.83 36.36 1rit s LYS 149 CO 0.78 -0.03 0.14 0.95 -0.36 0.00 0.00 175.35 176.82 1rit s THR 150 N -2.25 0.13 0.00 3.43 -4.23 -1.26 -1.90 115.64 109.56 1rit s THR 150 Ca -0.06 -1.10 -0.00 0.00 -1.18 0.00 0.00 61.69 59.35 1rit s THR 150 Cb -0.04 -1.04 -0.00 0.00 1.34 0.00 0.00 72.50 72.76 1rit s THR 150 CO -0.03 -0.61 0.01 0.54 -0.54 0.00 0.00 174.62 173.99 1rit s VAL 151 N -2.95 0.02 0.15 2.29 0.11 -0.70 -4.99 120.40 114.34 1rit s VAL 151 Ca -0.02 -0.18 -0.31 0.00 -2.93 0.00 0.00 61.98 58.54 1rit s VAL 151 Cb 0.01 -0.07 -0.11 0.00 -1.53 0.00 0.00 36.38 34.68 1rit s VAL 151 CO -0.06 -0.10 1.77 -2.84 -3.33 0.00 0.00 175.10 170.54 1rit s PRO 152 N -0.28 4.14 0.19 1.54 0.02 -1.26 -2.02 135.00 137.33 1rit s PRO 152 Ca -0.03 2.57 0.01 0.00 0.02 0.00 0.00 61.00 63.57 1rit s PRO 152 Cb -0.02 -3.41 -0.05 0.00 0.02 0.00 0.00 34.50 31.05 1rit s PRO 152 CO -0.00 -0.80 0.04 -0.46 -0.33 0.00 0.00 177.00 175.45 1rit s TRP 153 N 2.16 1.25 -0.11 6.54 -0.00 -0.70 -4.86 118.94 123.22 1rit s TRP 153 Ca 0.78 -1.10 -0.02 0.00 -0.00 0.00 0.00 56.10 55.76 1rit s TRP 153 Cb -0.47 -0.71 0.04 0.00 -0.00 0.00 0.00 33.47 32.33 1rit s TRP 153 CO 0.34 -0.30 0.02 1.21 -0.00 0.00 0.00 176.95 178.22 1rit s ASN 154 N -3.19 2.01 -0.06 5.86 2.47 -1.26 -4.07 114.94 116.69 1rit s ASN 154 Ca 0.28 -0.33 -0.25 0.00 0.42 0.00 0.00 52.86 52.98 1rit s ASN 154 Cb 0.07 -0.47 -0.03 0.00 -1.45 0.00 0.00 41.25 39.36 1rit s ASN 154 CO 0.07 -0.23 0.79 -0.55 -3.72 0.00 0.00 177.10 173.45 1rit s SER 155 N 1.95 7.08 -0.23 -4.21 0.15 -1.26 -5.05 113.70 112.13 1rit s SER 155 Ca 0.03 1.30 -0.02 0.00 0.70 0.00 0.00 55.95 57.97 1rit s SER 155 Cb -0.14 -2.46 0.02 0.00 -1.71 0.00 0.00 66.02 61.73 1rit s SER 155 CO -0.06 -0.19 -0.09 -0.69 1.20 0.00 0.00 173.24 173.41 1rit s VAL 156 N 1.04 2.82 0.19 4.45 1.01 -1.26 -5.08 120.40 123.56 1rit s VAL 156 Ca 0.41 -0.89 -0.33 0.00 0.00 0.00 0.00 61.98 61.17 1rit s VAL 156 Cb -0.18 -2.36 -0.15 0.00 0.00 0.00 0.00 36.38 33.69 1rit s VAL 156 CO 0.20 0.32 1.34 -0.24 0.00 0.00 0.00 175.10 176.71 1rit n SER 157 N 4.69 2.18 -0.17 3.32 2.88 -1.26 -1.56 113.62 123.69 1rit n SER 157 Ca -0.18 1.13 -0.02 0.00 -1.33 0.00 0.00 58.87 58.47 1rit n SER 157 Cb 0.48 -1.33 -0.01 0.00 -0.75 0.00 0.00 64.21 62.61 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 2.32 0.47 3.79 0.46 0.00 -1.18 -4.94 105.19 106.12 1rit n GLY 158 Ca 0.14 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.74 3.70 -0.15 4.61 0.00 -0.60 -4.98 121.76 122.60 1rit s ALA 159 Ca 0.00 -0.69 -0.25 0.00 0.00 0.00 0.00 51.96 51.02 1rit s ALA 159 Cb 0.00 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 1rit s ALA 159 CO 0.00 0.45 0.82 0.08 0.00 0.00 0.00 175.76 177.10 1rit s VAL 160 N -0.49 4.91 -0.08 0.00 1.01 -1.26 -4.28 120.40 120.20 1rit s VAL 160 Ca 0.11 1.62 -0.01 0.00 0.00 0.00 0.00 61.98 63.70 1rit s VAL 160 Cb -0.12 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1rit s VAL 160 CO 0.02 0.07 -0.01 -0.69 0.00 0.00 0.00 175.10 174.48 1rit s VAL 161 N 1.89 4.20 -0.12 2.92 1.01 0.40 -4.46 120.40 126.24 1rit s VAL 161 Ca 0.39 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 1rit s VAL 161 Cb -0.17 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 1rit s VAL 161 CO 0.14 0.60 -0.05 -0.54 0.00 0.00 0.00 175.10 175.25 1rit s LYS 162 N -0.86 3.33 -0.08 2.72 1.02 -1.06 -1.74 119.74 123.07 1rit s LYS 162 Ca 0.13 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.58 1rit s LYS 162 Cb -0.11 -2.78 0.02 0.00 -0.52 0.00 0.00 37.83 34.44 1rit s LYS 162 CO 0.02 0.40 -0.06 0.08 -0.92 0.00 0.00 175.35 174.87 1rit s VAL 163 N -0.07 0.80 -0.19 3.17 1.01 0.49 -0.62 120.40 124.99 1rit s VAL 163 Ca 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 1rit s VAL 163 Cb -0.13 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1rit s VAL 163 CO 0.03 0.31 -0.05 -0.89 0.00 0.00 0.00 175.10 174.50 1rit s THR 164 N 1.44 3.53 -0.05 3.92 2.01 -0.95 -0.65 115.64 124.90 1rit s THR 164 Ca -0.01 -0.46 0.06 0.00 0.31 0.00 0.00 61.69 61.58 1rit s THR 164 Cb -0.13 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 1rit s THR 164 CO -0.04 0.45 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.44 1rit s VAL 165 N 0.99 2.43 -0.02 3.82 1.01 0.20 -1.87 120.40 126.96 1rit s VAL 165 Ca 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.06 1rit s VAL 165 Cb -0.15 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1rit s VAL 165 CO 0.01 0.58 -0.10 -0.63 0.00 0.00 0.00 175.10 174.96 1rit s ILE 166 N -0.46 0.83 -0.11 2.22 1.01 -0.74 -1.25 121.20 122.70 1rit s ILE 166 Ca 0.05 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.32 1rit s ILE 166 Cb -0.12 -0.73 0.02 0.00 0.01 0.00 0.00 42.46 41.64 1rit s ILE 166 CO 0.01 0.26 -0.12 -0.47 0.00 0.00 0.00 174.94 174.62 1rit s TYR 167 N 0.13 1.74 -0.22 3.97 5.04 -0.46 -0.68 117.35 126.87 1rit s TYR 167 Ca -0.02 -0.82 -0.18 0.00 -2.44 0.00 0.00 57.07 53.60 1rit s TYR 167 Cb -0.08 -1.31 -0.03 0.00 0.35 0.00 0.00 41.96 40.89 1rit s TYR 167 CO 0.00 -0.47 0.53 0.34 -1.34 0.00 0.00 175.55 174.61 1rit s ASP 168 N 1.19 6.52 0.18 4.32 2.15 -0.81 -2.72 116.67 127.51 1rit s ASP 168 Ca -0.03 0.63 -0.14 0.00 0.43 0.00 0.00 52.55 53.44 1rit s ASP 168 Cb -0.14 -2.29 0.17 0.00 -0.30 0.00 0.00 42.92 40.35 1rit s ASP 168 CO -0.04 -0.23 1.72 0.77 -0.17 0.00 0.00 175.17 177.23 1rit h SER 169 N 7.66 0.00 0.00 -0.34 4.64 -1.79 -1.18 113.55 122.53 1rit h SER 169 Ca -0.32 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1rit h SER 169 Cb 1.15 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1rit h SER 169 CO 0.73 0.03 0.00 -1.54 -0.87 0.00 0.00 176.83 175.19 1rit n SER 170 N -5.11 0.00 0.00 4.97 3.41 -1.26 -3.94 113.62 111.69 1rit n SER 170 Ca 0.05 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1rit n SER 170 Cb 0.23 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1rit n SER 170 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1rit n THR 171 N -1.66 1.25 -3.77 6.66 -2.24 -1.25 -4.78 114.28 108.49 1rit n THR 171 Ca 0.00 0.42 -0.29 0.00 -2.27 0.00 0.00 64.05 61.90 1rit n THR 171 Cb 0.00 -1.42 -0.00 0.00 -2.10 0.00 0.00 70.33 66.81 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 -1.29 -3.81 -3.59 -0.78 5.02 -0.45 -4.88 118.16 108.38 1rit n LYS 172 Ca 0.00 0.47 -0.39 0.00 -2.02 0.00 0.00 58.31 56.37 1rit n LYS 172 Cb 0.10 -5.23 -0.11 0.00 -0.02 0.00 0.00 35.03 29.77 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 -3.13 5.16 -0.36 -0.18 2.01 -1.21 -1.42 115.64 116.52 1rit s THR 173 Ca 0.58 -0.04 -0.18 0.00 0.31 0.00 0.00 61.69 62.35 1rit s THR 173 Cb -0.30 -3.54 -0.00 0.00 0.01 0.00 0.00 72.50 68.67 1rit s THR 173 CO 0.71 0.15 0.53 -0.22 -0.69 0.00 0.00 174.62 175.10 1rit s LEU 174 N 1.72 4.36 -0.22 4.42 2.96 0.85 -1.93 118.68 130.85 1rit s LEU 174 Ca 0.06 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1rit s LEU 174 Cb -0.16 -2.60 0.04 0.00 0.50 0.00 0.00 46.19 43.96 1rit s LEU 174 CO 0.10 -0.51 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.04 1rit s SER 175 N 1.77 3.74 0.23 3.68 0.01 0.14 -0.90 113.70 122.38 1rit s SER 175 Ca 0.19 -1.01 0.03 0.00 1.31 0.00 0.00 55.95 56.46 1rit s SER 175 Cb -0.15 -1.46 -0.03 0.00 0.21 0.00 0.00 66.02 64.59 1rit s SER 175 CO 0.14 -0.11 0.38 -0.69 0.41 0.00 0.00 173.24 173.37 1rit s VAL 176 N 1.23 5.24 -0.26 3.43 1.01 -0.18 -1.80 120.40 129.08 1rit s VAL 176 Ca -0.02 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1rit s VAL 176 Cb -0.17 -3.81 0.13 0.00 0.00 0.00 0.00 36.38 32.54 1rit s VAL 176 CO -0.09 -0.28 0.34 0.00 0.00 0.00 0.00 175.10 175.07 1rit s ALA 177 N -1.96 -0.82 -0.33 5.51 0.00 -0.78 -2.93 121.76 120.45 1rit s ALA 177 Ca 0.36 0.36 -0.19 0.00 0.00 0.00 0.00 51.96 52.48 1rit s ALA 177 Cb -0.10 -1.73 -0.00 0.00 0.00 0.00 0.00 23.12 21.29 1rit s ALA 177 CO 0.30 -1.46 0.59 0.08 0.00 0.00 0.00 175.76 175.26 1rit s VAL 178 N 2.46 4.95 -0.32 0.00 1.01 0.27 -2.23 120.40 126.54 1rit s VAL 178 Ca 0.10 0.60 -0.13 0.00 0.00 0.00 0.00 61.98 62.55 1rit s VAL 178 Cb -0.14 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1rit s VAL 178 CO -0.22 -0.21 0.28 -0.89 0.00 0.00 0.00 175.10 174.05 1rit s THR 179 N 2.55 5.25 0.73 3.92 2.01 0.21 -0.38 115.64 129.93 1rit s THR 179 Ca 0.22 0.01 -0.08 0.00 0.31 0.00 0.00 61.69 62.16 1rit s THR 179 Cb -0.15 -3.70 0.07 0.00 0.01 0.00 0.00 72.50 68.72 1rit s THR 179 CO 0.13 0.04 1.06 0.20 -0.69 0.00 0.00 174.62 175.36 1rit s ASN 180 N 1.73 4.73 0.14 3.53 0.01 -0.75 -2.55 114.94 121.79 1rit s ASN 180 Ca 0.09 0.53 -0.17 0.00 -0.71 0.00 0.00 52.86 52.60 1rit s ASN 180 Cb -0.17 -1.14 0.00 0.00 0.41 0.00 0.00 41.25 40.35 1rit s ASN 180 CO 0.11 -1.68 1.79 -0.78 -1.51 0.00 0.00 177.10 175.02 1rit h ASP 181 N -0.72 0.30 0.38 -1.22 3.58 -1.88 -2.62 116.42 114.24 1rit h ASP 181 Ca -0.45 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.99 1rit h ASP 181 Cb 1.32 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.31 1rit h ASP 181 CO 0.62 0.22 -0.08 -0.55 -2.88 0.00 0.00 179.24 176.56 1rit h ASN 182 N 0.39 0.00 0.00 2.28 -0.00 -1.97 -3.47 115.58 112.81 1rit h ASN 182 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.43 1rit h ASN 182 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.33 1rit h ASN 182 CO -0.06 0.08 0.00 0.61 -0.00 0.00 0.00 177.43 178.06 1rit n GLY 183 N -0.68 3.84 3.39 9.14 0.00 -0.99 -5.12 105.19 114.77 1rit n GLY 183 Ca -0.02 -0.86 -0.45 0.00 0.00 0.00 0.00 46.02 44.70 1rit n GLY 183 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rit n ASP 184 N 0.00 -1.48 -4.44 1.61 9.92 -1.26 -4.43 116.55 116.46 1rit n ASP 184 Ca 0.00 1.00 -0.32 0.00 -0.53 0.00 0.00 54.79 54.94 1rit n ASP 184 Cb 0.00 -0.98 -0.14 0.00 -0.64 0.00 0.00 41.12 39.36 1rit n ASP 184 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1rit s ILE 185 N -1.29 2.90 -0.06 0.53 -4.36 -1.26 -1.80 121.20 115.86 1rit s ILE 185 Ca 0.62 -0.78 0.03 0.00 -0.26 0.00 0.00 60.65 60.25 1rit s ILE 185 Cb -0.77 -2.12 -0.03 0.00 1.25 0.00 0.00 42.46 40.79 1rit s ILE 185 CO 0.59 0.59 -0.12 -0.89 0.24 0.00 0.00 174.94 175.35 1rit s THR 186 N -0.63 3.30 0.00 8.37 2.01 0.49 -4.94 115.64 124.24 1rit s THR 186 Ca 0.09 -0.63 -0.04 0.00 0.31 0.00 0.00 61.69 61.42 1rit s THR 186 Cb -0.11 -2.31 -0.01 0.00 0.01 0.00 0.00 72.50 70.08 1rit s THR 186 CO 0.01 0.59 0.06 0.42 -0.69 0.00 0.00 174.62 175.01 1rit s THR 187 N -0.76 0.08 0.04 -0.82 -4.23 -1.26 0.95 115.64 109.65 1rit s THR 187 Ca 0.12 -0.68 -0.09 0.00 -1.18 0.00 0.00 61.69 59.85 1rit s THR 187 Cb -0.11 -0.32 0.00 0.00 1.34 0.00 0.00 72.50 73.42 1rit s THR 187 CO 0.01 -0.37 0.19 -0.51 -0.54 0.00 0.00 174.62 173.40 1rit s ILE 188 N -1.21 0.11 -0.04 2.99 2.07 -1.15 -5.01 121.20 118.97 1rit s ILE 188 Ca -0.13 -0.89 -0.17 0.00 -1.41 0.00 0.00 60.65 58.05 1rit s ILE 188 Cb -0.08 -0.90 0.03 0.00 0.13 0.00 0.00 42.46 41.65 1rit s ILE 188 CO 0.00 -0.49 0.37 0.00 -1.91 0.00 0.00 174.94 172.91 1rit s ALA 189 N -2.53 -0.93 -0.17 1.50 0.00 -1.26 -1.01 121.76 117.36 1rit s ALA 189 Ca -0.05 0.55 -0.28 0.00 0.00 0.00 0.00 51.96 52.17 1rit s ALA 189 Cb -0.01 -0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.16 1rit s ALA 189 CO -0.04 -0.26 0.71 -1.14 0.00 0.00 0.00 175.76 175.03 1rit s GLN 190 N -1.12 0.93 0.06 0.00 2.00 -0.08 -4.98 119.66 116.48 1rit s GLN 190 Ca -0.12 0.64 -0.27 0.00 -2.00 0.00 0.00 55.36 53.62 1rit s GLN 190 Cb -0.04 0.45 -0.05 0.00 0.80 0.00 0.00 33.01 34.16 1rit s GLN 190 CO 0.04 -0.21 0.83 0.08 -0.50 0.00 0.00 175.29 175.54 1rit s VAL 191 N -0.37 4.67 -0.24 1.34 1.01 -1.26 -0.10 120.40 125.46 1rit s VAL 191 Ca -0.05 1.77 -0.03 0.00 0.00 0.00 0.00 61.98 63.67 1rit s VAL 191 Cb -0.03 -4.18 0.13 0.00 0.00 0.00 0.00 36.38 32.30 1rit s VAL 191 CO 0.05 0.34 0.35 -0.69 0.00 0.00 0.00 175.10 175.15 1rit s VAL 192 N 0.02 -0.55 -0.59 2.92 1.01 -0.51 -4.94 120.40 117.76 1rit s VAL 192 Ca 0.41 -0.09 -0.27 0.00 0.00 0.00 0.00 61.98 62.04 1rit s VAL 192 Cb -0.21 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 1rit s VAL 192 CO 0.25 -0.14 1.78 -0.62 0.00 0.00 0.00 175.10 176.37 1rit s ASP 193 N 2.50 5.46 0.41 3.32 -1.08 -1.26 -4.78 116.67 121.24 1rit s ASP 193 Ca 0.12 0.38 0.07 0.00 -0.52 0.00 0.00 52.55 52.60 1rit s ASP 193 Cb -0.15 -2.53 0.86 0.00 -1.46 0.00 0.00 42.92 39.63 1rit s ASP 193 CO -0.15 -2.22 2.05 -0.07 0.52 0.00 0.00 175.17 175.29 1rit h LEU 194 N 15.66 0.45 -0.26 -1.34 3.38 -1.96 0.69 115.31 131.93 1rit h LEU 194 Ca -0.27 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1rit h LEU 194 Cb 1.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1rit h LEU 194 CO 1.20 0.34 0.00 1.17 0.09 0.00 0.00 178.44 181.24 1rit n LYS 195 N -4.46 0.10 -0.09 1.13 4.81 -1.26 -1.40 118.16 116.99 1rit n LYS 195 Ca 0.03 0.28 -0.11 0.00 -0.87 0.00 0.00 58.31 57.64 1rit n LYS 195 Cb 0.08 -1.67 -0.15 0.00 0.02 0.00 0.00 35.03 33.30 1rit n LYS 195 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1rit n ALA 196 N -1.63 1.48 -0.07 3.14 0.00 0.17 -4.64 120.51 118.96 1rit n ALA 196 Ca 0.04 -1.22 -0.03 0.00 0.00 0.00 0.00 53.44 52.22 1rit n ALA 196 Cb 0.24 -0.27 -0.16 0.00 0.00 0.00 0.00 19.45 19.26 1rit n ALA 196 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1rit n LYS 197 N -2.86 0.78 -4.31 0.00 4.76 -0.78 -5.01 118.16 110.73 1rit n LYS 197 Ca -0.32 -0.07 -0.29 0.00 -2.87 0.00 0.00 58.31 54.76 1rit n LYS 197 Cb 1.12 -1.49 -0.11 0.00 -1.84 0.00 0.00 35.03 32.71 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 -5.10 2.72 0.99 -0.35 1.43 -0.49 -4.90 118.68 112.99 1rit s LEU 198 Ca -0.09 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.30 1rit s LEU 198 Cb 0.08 -1.53 0.19 0.00 0.03 0.00 0.00 46.19 44.96 1rit s LEU 198 CO 0.81 0.16 1.11 -2.16 0.23 0.00 0.00 176.35 176.51 1rit s PRO 199 N -2.28 0.46 0.18 1.29 0.04 -1.26 -4.66 135.00 128.77 1rit s PRO 199 Ca 0.19 0.39 -0.14 0.00 0.04 0.00 0.00 61.00 61.48 1rit s PRO 199 Cb -0.10 -1.75 0.17 0.00 0.04 0.00 0.00 34.50 32.86 1rit s PRO 199 CO 0.11 -2.68 1.68 0.93 0.04 0.00 0.00 177.00 177.08 1rit h GLU 200 N -1.85 0.10 -4.96 4.56 5.08 -1.96 -3.38 114.58 112.16 1rit h GLU 200 Ca -0.53 -0.01 -0.63 0.00 -1.00 0.00 0.00 59.36 57.19 1rit h GLU 200 Cb 1.33 -0.02 -0.16 0.00 0.50 0.00 0.00 28.75 30.40 1rit h GLU 200 CO 0.58 0.06 -0.50 1.03 -1.00 0.00 0.00 179.01 179.18 1rit s ARG 201 N -6.18 3.98 0.44 2.33 0.52 -1.26 -1.17 118.95 117.61 1rit s ARG 201 Ca -0.14 -0.28 0.02 0.00 -0.52 0.00 0.00 55.73 54.81 1rit s ARG 201 Cb 0.16 -3.63 -0.01 0.00 0.52 0.00 0.00 34.95 31.99 1rit s ARG 201 CO 0.72 -0.13 0.07 1.33 0.02 0.00 0.00 175.30 177.31 1rit n VAL 202 N 4.88 0.00 -4.30 3.52 0.24 -0.80 -2.70 118.33 119.17 1rit n VAL 202 Ca -0.14 -2.26 -0.18 0.00 -2.04 0.00 0.00 64.34 59.73 1rit n VAL 202 Cb 0.52 0.62 -0.14 0.00 -1.47 0.00 0.00 33.84 33.37 1rit n VAL 202 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1rit s LYS 203 N -3.61 0.68 -0.04 7.34 1.02 0.55 -1.13 119.74 124.54 1rit s LYS 203 Ca 0.09 -0.38 -0.01 0.00 0.02 0.00 0.00 55.97 55.69 1rit s LYS 203 Cb 0.00 -0.64 -0.04 0.00 -0.52 0.00 0.00 37.83 36.64 1rit s LYS 203 CO 0.07 0.17 0.04 -0.06 -0.92 0.00 0.00 175.35 174.65 1rit s PHE 204 N -0.37 3.23 0.05 3.18 0.08 -1.26 -2.08 117.98 120.80 1rit s PHE 204 Ca 0.02 0.21 -0.20 0.00 0.12 0.00 0.00 56.93 57.08 1rit s PHE 204 Cb -0.04 -1.76 0.07 0.00 -0.57 0.00 0.00 43.02 40.71 1rit s PHE 204 CO -0.00 0.52 0.90 0.41 -0.10 0.00 0.00 175.22 176.96 1rit n GLY 205 N 1.61 0.49 3.23 4.36 0.00 -0.82 -1.28 105.19 112.79 1rit n GLY 205 Ca -0.16 -1.04 -0.28 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.57 1.94 0.14 1.61 0.08 -0.43 -0.75 117.98 117.99 1rit s PHE 206 Ca 0.21 -0.39 0.05 0.00 0.12 0.00 0.00 56.93 56.92 1rit s PHE 206 Cb -0.01 -1.25 -0.04 0.00 -0.57 0.00 0.00 43.02 41.14 1rit s PHE 206 CO 0.01 -0.05 -0.11 0.45 -0.10 0.00 0.00 175.22 175.43 1rit s SER 207 N -0.46 1.78 0.30 1.36 0.15 0.96 -1.00 113.70 116.79 1rit s SER 207 Ca 0.07 -0.95 -0.09 0.00 0.70 0.00 0.00 55.95 55.68 1rit s SER 207 Cb -0.09 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1rit s SER 207 CO -0.00 -0.29 0.50 0.00 1.20 0.00 0.00 173.24 174.64 1rit s ALA 208 N -3.03 0.15 0.07 5.45 0.00 -0.25 -1.03 121.76 123.12 1rit s ALA 208 Ca 0.14 -1.14 -0.27 0.00 0.00 0.00 0.00 51.96 50.69 1rit s ALA 208 Cb 0.01 1.07 0.08 0.00 0.00 0.00 0.00 23.12 24.28 1rit s ALA 208 CO 0.01 -0.84 0.86 -1.54 0.00 0.00 0.00 175.76 174.26 1rit s SER 209 N -3.11 -0.34 0.27 0.00 1.04 -1.26 -2.68 113.70 107.62 1rit s SER 209 Ca 0.25 -0.13 -0.00 0.00 0.48 0.00 0.00 55.95 56.55 1rit s SER 209 Cb -0.01 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 1rit s SER 209 CO 0.14 -0.77 0.27 -0.83 0.98 0.00 0.00 173.24 173.03 1rit s GLY 210 N -2.66 1.62 0.00 7.32 0.00 -0.53 -0.69 107.32 112.39 1rit s GLY 210 Ca 0.07 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.09 1rit s GLY 210 CO -0.06 -1.27 0.00 -1.14 0.00 0.00 0.00 173.10 170.64 1rit n SER 211 N -0.87 1.33 -0.03 1.64 3.41 0.13 -3.85 113.62 115.39 1rit n SER 211 Ca 0.03 -0.67 -0.15 0.00 -0.26 0.00 0.00 58.87 57.82 1rit n SER 211 Cb 0.64 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.50 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 0.47 0.00 1.04 6.46 -1.80 -3.28 115.31 118.20 1rit h LEU 212 Ca 0.00 -0.64 0.00 0.00 -0.12 0.00 0.00 57.88 57.12 1rit h LEU 212 Cb 0.00 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 39.79 1rit h LEU 212 CO 0.00 1.03 -0.99 0.61 -0.62 0.00 0.00 178.44 178.47 1rit n GLY 213 N 0.70 -0.76 3.35 3.75 0.00 -1.26 -4.91 105.19 106.06 1rit n GLY 213 Ca -0.08 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.92 1.66 0.06 -0.02 0.00 -1.25 -2.08 107.32 102.77 1rit s GLY 214 Ca 0.05 -1.17 -0.19 0.00 0.00 0.00 0.00 44.72 43.42 1rit s GLY 214 CO 0.76 0.47 0.44 0.50 0.00 0.00 0.00 173.10 175.27 1rit s ARG 215 N 1.52 0.97 -0.05 2.90 0.52 0.68 0.23 118.95 125.72 1rit s ARG 215 Ca 0.06 -0.37 -0.31 0.00 -0.52 0.00 0.00 55.73 54.58 1rit s ARG 215 Cb -0.15 0.44 0.13 0.00 0.52 0.00 0.00 34.95 35.89 1rit s ARG 215 CO -0.01 -0.35 1.33 1.14 0.02 0.00 0.00 175.30 177.44 1rit s GLN 216 N -2.64 0.28 0.13 3.54 -2.07 -1.21 -4.04 119.66 113.64 1rit s GLN 216 Ca -0.04 -0.15 -0.23 0.00 -1.82 0.00 0.00 55.36 53.11 1rit s GLN 216 Cb -0.00 0.10 -0.07 0.00 -1.09 0.00 0.00 33.01 31.94 1rit s GLN 216 CO -0.03 -0.13 0.70 0.42 -1.32 0.00 0.00 175.29 174.92 1rit s ILE 217 N -2.31 4.52 -0.31 3.63 1.01 -0.87 -4.83 121.20 122.04 1rit s ILE 217 Ca 0.14 1.51 0.02 0.00 0.00 0.00 0.00 60.65 62.33 1rit s ILE 217 Cb 0.05 -4.05 0.09 0.00 0.01 0.00 0.00 42.46 38.57 1rit s ILE 217 CO -0.05 0.53 0.05 -1.00 0.00 0.00 0.00 174.94 174.47 1rit s HIS 218 N -1.10 2.88 -0.23 3.97 3.76 -1.26 -3.28 115.29 120.04 1rit s HIS 218 Ca 0.33 -2.40 -0.07 0.00 -0.15 0.00 0.00 55.06 52.77 1rit s HIS 218 Cb -0.22 -2.32 -0.03 0.00 1.11 0.00 0.00 32.58 31.12 1rit s HIS 218 CO 0.23 -0.90 0.05 -0.51 -0.85 0.00 0.00 174.74 172.76 1rit s LEU 219 N 1.21 3.43 -0.48 0.89 1.43 0.35 -0.61 118.68 124.89 1rit s LEU 219 Ca 0.08 -0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 52.84 1rit s LEU 219 Cb -0.18 -1.90 0.07 0.00 0.03 0.00 0.00 46.19 44.21 1rit s LEU 219 CO -0.14 0.02 0.45 -0.63 0.23 0.00 0.00 176.35 176.28 1rit s ILE 220 N 1.29 5.15 0.02 -0.59 -1.09 -0.39 -0.58 121.20 125.00 1rit s ILE 220 Ca 0.05 -0.91 -0.08 0.00 -2.23 0.00 0.00 60.65 57.47 1rit s ILE 220 Cb -0.15 -4.16 -0.30 0.00 -1.58 0.00 0.00 42.46 36.27 1rit s ILE 220 CO 0.03 -0.63 0.92 0.03 -1.23 0.00 0.00 174.94 174.06 1rit h ARG 221 N 8.81 0.36 -3.15 2.79 3.08 -1.34 -2.78 114.38 122.15 1rit h ARG 221 Ca -0.28 -0.61 -0.03 0.00 0.07 0.00 0.00 59.98 59.13 1rit h ARG 221 Cb 1.11 0.23 -0.12 0.00 0.08 0.00 0.00 29.97 31.26 1rit h ARG 221 CO 0.90 1.26 0.10 -1.54 -1.07 0.00 0.00 179.97 179.62 1rit s SER 222 N -7.23 -0.43 -0.22 7.04 1.04 -1.16 -4.36 113.70 108.37 1rit s SER 222 Ca -0.09 -0.16 -0.14 0.00 0.48 0.00 0.00 55.95 56.04 1rit s SER 222 Cb 0.06 0.56 0.07 0.00 0.10 0.00 0.00 66.02 66.81 1rit s SER 222 CO 0.88 -0.95 0.55 0.86 0.98 0.00 0.00 173.24 175.57 1rit s TRP 223 N -3.78 -0.81 -0.04 5.02 -0.00 0.00 -1.90 118.94 117.43 1rit s TRP 223 Ca 0.03 1.69 0.00 0.00 -0.00 0.00 0.00 56.10 57.82 1rit s TRP 223 Cb -0.00 0.42 0.02 0.00 -0.00 0.00 0.00 33.47 33.91 1rit s TRP 223 CO -0.11 -0.42 -0.02 -1.54 -0.00 0.00 0.00 176.95 174.86 1rit s SER 224 N 1.33 0.92 0.05 5.86 1.04 -0.40 0.50 113.70 123.00 1rit s SER 224 Ca -0.08 -0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.29 1rit s SER 224 Cb -0.06 -0.38 -0.02 0.00 0.10 0.00 0.00 66.02 65.65 1rit s SER 224 CO -0.14 -0.09 -0.10 0.12 0.98 0.00 0.00 173.24 174.01 1rit s PHE 225 N 1.13 0.85 -0.23 5.02 2.19 -1.07 -1.06 117.98 124.81 1rit s PHE 225 Ca -0.08 -0.47 -0.11 0.00 0.33 0.00 0.00 56.93 56.60 1rit s PHE 225 Cb -0.14 -0.50 0.08 0.00 -1.31 0.00 0.00 43.02 41.16 1rit s PHE 225 CO -0.01 -0.03 0.55 0.99 1.83 0.00 0.00 175.22 178.54 1rit s THR 226 N -1.28 -0.27 0.02 0.12 2.01 -0.87 -2.00 115.64 113.37 1rit s THR 226 Ca -0.07 0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.03 1rit s THR 226 Cb -0.10 -0.81 -0.02 0.00 0.01 0.00 0.00 72.50 71.58 1rit s THR 226 CO 0.01 0.02 -0.11 -0.94 -0.69 0.00 0.00 174.62 172.91 1rit s SER 227 N 1.91 1.32 -0.07 3.53 1.04 -0.11 0.57 113.70 121.90 1rit s SER 227 Ca -0.08 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.02 1rit s SER 227 Cb -0.08 -0.10 0.02 0.00 0.10 0.00 0.00 66.02 65.96 1rit s SER 227 CO -0.16 0.04 -0.08 -0.89 0.98 0.00 0.00 173.24 173.13 1rit s THR 228 N -0.64 0.83 -0.32 2.02 2.01 0.03 -1.06 115.64 118.53 1rit s THR 228 Ca 0.01 -0.26 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 1rit s THR 228 Cb -0.06 -0.82 0.05 0.00 0.01 0.00 0.00 72.50 71.67 1rit s THR 228 CO 0.00 0.30 0.04 -0.22 -0.69 0.00 0.00 174.62 174.05 1rit s LEU 229 N 1.05 4.08 0.13 4.42 2.96 0.17 -2.27 118.68 129.22 1rit s LEU 229 Ca -0.08 -1.28 -0.31 0.00 -0.22 0.00 0.00 54.13 52.24 1rit s LEU 229 Cb -0.14 -1.76 -0.08 0.00 0.50 0.00 0.00 46.19 44.71 1rit s LEU 229 CO -0.01 -0.29 1.31 -0.63 -1.32 0.00 0.00 176.35 175.41 1rit s ILE 230 N 1.28 3.47 -0.31 6.68 1.01 -1.26 -1.73 121.20 130.34 1rit s ILE 230 Ca -0.04 1.11 0.00 0.00 0.00 0.00 0.00 60.65 61.72 1rit s ILE 230 Cb -0.20 -3.71 0.14 0.00 0.01 0.00 0.00 42.46 38.70 1rit s ILE 230 CO -0.00 0.11 0.30 0.42 0.00 0.00 0.00 174.94 175.77 1rit s THR 231 N 0.75 -0.33 0.00 2.92 -4.23 -1.26 -4.83 115.64 108.66 1rit s THR 231 Ca 0.60 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 1rit s THR 231 Cb -0.35 -0.91 0.00 0.00 1.34 0.00 0.00 72.50 72.58 1rit s THR 231 CO 0.32 -0.55 0.00 1.07 -0.54 0.00 0.00 174.62 174.92