#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 3.35 -0.03 0.00 2.12 -0.80 -4.93 118.70 118.41 1rit s GLU 2 Ca 0.00 -0.22 0.05 0.00 0.36 0.00 0.00 54.97 55.17 1rit s GLU 2 Cb 0.00 -3.95 -0.01 0.00 0.26 0.00 0.00 34.13 30.43 1rit s GLU 2 CO 0.00 -1.09 -0.19 0.99 -0.54 0.00 0.00 175.26 174.43 1rit s THR 3 N 3.13 1.53 -0.11 -1.70 2.01 -1.26 0.45 115.64 119.68 1rit s THR 3 Ca 0.27 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.47 1rit s THR 3 Cb -0.13 -1.28 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 1rit s THR 3 CO 0.21 0.43 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.76 1rit s VAL 4 N -0.27 3.12 -0.25 3.82 1.01 -0.11 -4.98 120.40 122.74 1rit s VAL 4 Ca 0.03 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 1rit s VAL 4 Cb -0.09 -2.29 0.10 0.00 0.00 0.00 0.00 36.38 34.10 1rit s VAL 4 CO 0.01 0.54 0.56 -0.94 0.00 0.00 0.00 175.10 175.27 1rit s SER 5 N 0.09 -0.79 0.34 3.32 1.04 -1.26 -0.91 113.70 115.53 1rit s SER 5 Ca -0.05 1.33 0.03 0.00 0.48 0.00 0.00 55.95 57.74 1rit s SER 5 Cb -0.15 1.75 -0.04 0.00 0.10 0.00 0.00 66.02 67.68 1rit s SER 5 CO 0.04 -0.22 0.10 0.72 0.98 0.00 0.00 173.24 174.86 1rit s PHE 6 N 2.52 1.78 -0.29 5.02 -0.12 -0.78 -5.02 117.98 121.09 1rit s PHE 6 Ca -0.05 -1.16 -0.11 0.00 -0.05 0.00 0.00 56.93 55.55 1rit s PHE 6 Cb -0.11 -1.12 0.11 0.00 -0.63 0.00 0.00 43.02 41.28 1rit s PHE 6 CO -0.17 -0.22 0.64 1.21 -0.05 0.00 0.00 175.22 176.63 1rit s ASN 7 N -3.48 -1.03 -0.18 1.98 2.47 -1.26 -2.51 114.94 110.92 1rit s ASN 7 Ca 0.32 1.51 0.01 0.00 0.42 0.00 0.00 52.86 55.13 1rit s ASN 7 Cb 0.06 1.99 0.03 0.00 -1.45 0.00 0.00 41.25 41.88 1rit s ASN 7 CO 0.15 -0.23 -0.17 -0.36 -3.72 0.00 0.00 177.10 172.77 1rit s PHE 8 N 2.54 2.67 -1.03 0.43 0.08 0.23 -4.94 117.98 117.96 1rit s PHE 8 Ca -0.07 -1.61 0.17 0.00 0.12 0.00 0.00 56.93 55.54 1rit s PHE 8 Cb -0.10 -1.83 -0.13 0.00 -0.57 0.00 0.00 43.02 40.38 1rit s PHE 8 CO -0.19 -0.78 0.77 0.09 -0.10 0.00 0.00 175.22 175.01 1rit n ASN 9 N 4.64 1.06 -3.84 1.36 3.02 -1.26 -0.99 115.26 119.26 1rit n ASN 9 Ca -0.19 -1.03 -0.08 0.00 -0.03 0.00 0.00 54.58 53.24 1rit n ASN 9 Cb 0.49 0.85 -0.03 0.00 -0.61 0.00 0.00 39.78 40.48 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 -2.43 -0.24 0.22 6.41 1.04 -1.26 -4.76 113.70 112.68 1rit s SER 10 Ca 0.09 -0.62 0.02 0.00 0.48 0.00 0.00 55.95 55.91 1rit s SER 10 Cb 0.13 0.65 -0.05 0.00 0.10 0.00 0.00 66.02 66.85 1rit s SER 10 CO 0.62 -1.20 0.05 -0.36 0.98 0.00 0.00 173.24 173.33 1rit s PHE 11 N -3.92 1.38 -0.29 5.02 0.40 -0.45 -5.00 117.98 115.12 1rit s PHE 11 Ca 0.13 -1.10 -0.20 0.00 -0.60 0.00 0.00 56.93 55.16 1rit s PHE 11 Cb -0.03 -0.79 0.14 0.00 0.51 0.00 0.00 43.02 42.84 1rit s PHE 11 CO 0.04 -0.28 1.01 -1.54 0.70 0.00 0.00 175.22 175.15 1rit s SER 12 N -3.24 -0.48 0.99 1.36 1.04 -1.26 -4.07 113.70 108.04 1rit s SER 12 Ca 0.31 0.82 -0.12 0.00 0.48 0.00 0.00 55.95 57.45 1rit s SER 12 Cb 0.07 1.05 0.14 0.00 0.10 0.00 0.00 66.02 67.38 1rit s SER 12 CO 0.09 -0.13 0.84 -0.62 0.98 0.00 0.00 173.24 174.40 1rit n GLU 13 N 3.09 -0.86 0.00 4.02 1.02 -1.26 -3.07 120.64 123.58 1rit n GLU 13 Ca -0.16 -0.20 0.00 0.00 -0.02 0.00 0.00 57.16 56.78 1rit n GLU 13 Cb 0.57 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 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 0.86 2.23 3.64 0.62 0.00 -1.26 -5.00 105.19 106.29 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 -3.04 6.79 0.00 1.61 3.04 -1.17 -4.88 114.94 117.28 1rit s ASN 15 Ca 0.00 1.47 0.05 0.00 0.04 0.00 0.00 52.86 54.42 1rit s ASN 15 Cb 0.00 -2.54 0.25 0.00 -1.54 0.00 0.00 41.25 37.43 1rit s ASN 15 CO 0.00 -0.94 1.06 -0.81 -3.04 0.00 0.00 177.10 173.37 1rit n PRO 16 N 7.00 0.05 0.07 0.43 -0.04 -1.26 -2.29 135.00 138.96 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 0.43 0.00 -0.04 0.00 0.00 33.50 32.84 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 -1.36 2.44 -3.11 0.55 0.00 -1.26 -4.71 120.51 113.06 1rit n ALA 17 Ca 0.02 -0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.16 1rit n ALA 17 Cb 0.05 -1.41 -0.16 0.00 0.00 0.00 0.00 19.45 17.93 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 -0.97 0.14 121.20 118.95 1rit s ILE 18 Ca 0.11 -0.36 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 1rit s ILE 18 Cb 0.15 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.85 1rit s ILE 18 CO 0.60 0.26 0.01 0.20 0.00 0.00 0.00 174.94 176.01 1rit s ASN 19 N 0.29 5.23 -0.35 3.58 0.02 0.07 -4.81 114.94 118.96 1rit s ASN 19 Ca -0.05 -0.02 -0.10 0.00 -1.02 0.00 0.00 52.86 51.67 1rit s ASN 19 Cb -0.10 -1.88 0.02 0.00 0.02 0.00 0.00 41.25 39.31 1rit s ASN 19 CO 0.01 0.17 0.19 -0.36 0.02 0.00 0.00 177.10 177.13 1rit s PHE 20 N 0.36 3.22 -0.21 2.20 0.08 -1.26 -1.18 117.98 121.19 1rit s PHE 20 Ca -0.00 -0.85 -0.05 0.00 0.12 0.00 0.00 56.93 56.15 1rit s PHE 20 Cb -0.13 -2.41 -0.02 0.00 -0.57 0.00 0.00 43.02 39.89 1rit s PHE 20 CO 0.01 -0.59 -0.02 -0.65 -0.10 0.00 0.00 175.22 173.88 1rit s GLN 21 N 1.57 3.52 0.00 0.44 -0.21 -0.68 -4.96 119.66 119.34 1rit s GLN 21 Ca 0.03 -0.56 0.00 0.00 0.02 0.00 0.00 55.36 54.84 1rit s GLN 21 Cb -0.19 -3.05 0.00 0.00 1.00 0.00 0.00 33.01 30.78 1rit s GLN 21 CO 0.06 -0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.58 1rit n GLY 22 N 4.45 -0.35 1.22 3.09 0.00 -1.26 0.43 105.19 112.77 1rit n GLY 22 Ca -0.17 -1.86 -0.03 0.00 0.00 0.00 0.00 46.02 43.95 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 0.00 3.54 -4.70 1.61 8.00 0.30 -4.88 116.55 120.42 1rit n ASP 23 Ca 0.00 -2.25 -0.42 0.00 0.71 0.00 0.00 54.79 52.83 1rit n ASP 23 Cb 0.00 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 40.43 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 -0.40 4.23 -0.08 2.53 1.01 -1.23 -4.08 120.40 122.37 1rit s VAL 24 Ca 0.07 1.58 0.01 0.00 0.00 0.00 0.00 61.98 63.64 1rit s VAL 24 Cb 0.05 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.44 1rit s VAL 24 CO 0.01 0.06 -0.09 0.28 0.00 0.00 0.00 175.10 175.36 1rit s THR 25 N 1.60 1.03 -0.26 3.92 -1.32 -0.21 -5.00 115.64 115.40 1rit s THR 25 Ca 0.57 -0.36 -0.21 0.00 -1.21 0.00 0.00 61.69 60.47 1rit s THR 25 Cb -0.26 -0.99 -0.01 0.00 -1.51 0.00 0.00 72.50 69.72 1rit s THR 25 CO 0.26 0.35 0.68 -0.69 -2.21 0.00 0.00 174.62 173.01 1rit s VAL 26 N 1.15 4.93 0.63 5.08 1.01 -1.26 -0.80 120.40 131.14 1rit s VAL 26 Ca -0.06 1.20 -0.14 0.00 0.00 0.00 0.00 61.98 62.98 1rit s VAL 26 Cb -0.14 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 1rit s VAL 26 CO -0.02 -0.03 1.06 -0.76 0.00 0.00 0.00 175.10 175.35 1rit s LEU 27 N 2.62 3.36 0.00 3.92 1.43 0.70 -4.88 118.68 125.83 1rit s LEU 27 Ca 0.28 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 1rit s LEU 27 Cb -0.15 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.55 1rit s LEU 27 CO 0.09 -1.30 0.23 -1.54 0.23 0.00 0.00 176.35 174.06 1rit n SER 28 N -2.44 0.32 -0.81 2.29 3.41 -1.26 -1.94 113.62 113.20 1rit n SER 28 Ca 0.08 -0.78 0.04 0.00 -0.26 0.00 0.00 58.87 57.95 1rit n SER 28 Cb 0.53 -0.16 0.06 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.16 0.92 -1.38 4.04 6.94 -1.26 -4.99 115.26 119.69 1rit n ASN 29 Ca 0.00 -2.41 -0.15 0.00 -0.02 0.00 0.00 54.58 52.00 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 -0.18 0.72 3.57 4.83 0.00 -0.82 -4.88 105.19 108.44 1rit n GLY 30 Ca 0.07 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 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 4.46 -0.19 1.61 0.02 -1.25 -1.34 114.94 115.63 1rit s ASN 31 Ca 0.00 -0.22 -0.10 0.00 -1.02 0.00 0.00 52.86 51.52 1rit s ASN 31 Cb 0.00 -0.97 -0.05 0.00 0.02 0.00 0.00 41.25 40.25 1rit s ASN 31 CO 0.00 0.27 0.15 -0.63 0.02 0.00 0.00 177.10 176.91 1rit s ILE 32 N -1.01 5.40 -0.28 0.60 1.01 -1.02 -0.22 121.20 125.68 1rit s ILE 32 Ca 0.17 0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.99 1rit s ILE 32 Cb -0.11 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.87 1rit s ILE 32 CO 0.08 0.44 0.07 -1.58 0.00 0.00 0.00 174.94 173.95 1rit s GLN 33 N 0.33 3.21 0.12 2.79 0.74 0.02 -1.33 119.66 125.53 1rit s GLN 33 Ca 0.09 -0.78 -0.09 0.00 0.05 0.00 0.00 55.36 54.64 1rit s GLN 33 Cb -0.11 -3.33 -0.11 0.00 1.10 0.00 0.00 33.01 30.56 1rit s GLN 33 CO -0.01 -0.38 1.32 -0.07 -0.55 0.00 0.00 175.29 175.59 1rit h LEU 34 N 8.22 0.77 -9.20 3.68 3.38 -1.10 -0.53 115.31 120.53 1rit h LEU 34 Ca -0.33 -0.54 -0.63 0.00 0.09 0.00 0.00 57.88 56.46 1rit h LEU 34 Cb 1.14 -0.23 -0.16 0.00 0.09 0.00 0.00 40.66 41.50 1rit h LEU 34 CO 0.60 1.33 -0.76 0.42 0.09 0.00 0.00 178.44 180.11 1rit s THR 35 N -3.57 2.79 -0.19 0.22 -4.23 -1.26 -3.57 115.64 105.84 1rit s THR 35 Ca -0.08 -1.89 -0.20 0.00 -1.18 0.00 0.00 61.69 58.34 1rit s THR 35 Cb 0.09 -2.38 -0.03 0.00 1.34 0.00 0.00 72.50 71.52 1rit s THR 35 CO 0.89 -0.15 0.58 0.21 -0.54 0.00 0.00 174.62 175.61 1rit s ASN 36 N -2.86 6.65 0.46 3.99 3.84 -1.26 -4.84 114.94 120.91 1rit s ASN 36 Ca 0.24 0.78 0.26 0.00 0.21 0.00 0.00 52.86 54.35 1rit s ASN 36 Cb -0.08 -2.32 0.91 0.00 -0.55 0.00 0.00 41.25 39.21 1rit s ASN 36 CO 0.13 -0.21 1.82 -0.07 -2.79 0.00 0.00 177.10 175.97 1rit h LEU 37 N 7.95 0.00 -2.96 3.21 4.07 -1.96 -3.18 115.31 122.44 1rit h LEU 37 Ca -0.33 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.63 1rit h LEU 37 Cb 1.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.89 1rit h LEU 37 CO 0.76 0.17 0.00 0.59 -1.08 0.00 0.00 178.44 178.88 1rit n ASN 38 N -3.28 4.64 -4.37 -0.43 3.02 -1.26 -4.93 115.26 108.65 1rit n ASN 38 Ca 0.01 -2.69 -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 38.85 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 -2.32 1.36 -0.08 3.52 1.02 -1.20 -5.11 119.74 116.93 1rit s LYS 39 Ca 0.43 -1.40 -0.19 0.00 0.02 0.00 0.00 55.97 54.83 1rit s LYS 39 Cb 0.32 -1.64 -0.04 0.00 -0.52 0.00 0.00 37.83 35.95 1rit s LYS 39 CO 0.13 0.36 0.53 0.08 -0.92 0.00 0.00 175.35 175.53 1rit s VAL 40 N -1.57 5.09 -1.06 3.17 1.01 -1.26 -4.09 120.40 121.70 1rit s VAL 40 Ca 0.16 1.08 -0.00 0.00 0.00 0.00 0.00 61.98 63.22 1rit s VAL 40 Cb -0.08 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1rit s VAL 40 CO 0.07 0.35 0.03 -0.46 0.00 0.00 0.00 175.10 175.10 1rit n ASN 41 N 3.35 -3.99 -4.57 3.32 0.23 -1.23 -4.94 115.26 107.43 1rit n ASN 41 Ca -0.07 -0.03 -0.37 0.00 -0.53 0.00 0.00 54.58 53.59 1rit n ASN 41 Cb 0.51 -3.16 0.06 0.00 -2.08 0.00 0.00 39.78 35.11 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 -0.44 0.13 -3.68 0.53 2.88 -1.25 -4.27 113.62 107.52 1rit n SER 42 Ca -0.14 0.73 -0.10 0.00 -1.33 0.00 0.00 58.87 58.03 1rit n SER 42 Cb 0.61 -1.34 -0.10 0.00 -0.75 0.00 0.00 64.21 62.64 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 -1.67 -0.02 -0.06 2.46 1.01 -1.26 -1.57 120.40 119.29 1rit s VAL 43 Ca 0.73 0.06 -0.13 0.00 0.00 0.00 0.00 61.98 62.64 1rit s VAL 43 Cb -0.39 -0.72 0.03 0.00 0.00 0.00 0.00 36.38 35.30 1rit s VAL 43 CO 0.50 0.02 0.32 -0.83 0.00 0.00 0.00 175.10 175.11 1rit s GLY 44 N 1.34 -0.19 0.03 4.51 0.00 -1.10 -0.54 107.32 111.37 1rit s GLY 44 Ca -0.09 0.57 -0.02 0.00 0.00 0.00 0.00 44.72 45.18 1rit s GLY 44 CO -0.13 0.39 0.02 0.50 0.00 0.00 0.00 173.10 173.88 1rit s ARG 45 N -0.73 0.46 -0.07 2.90 0.52 0.17 -0.88 118.95 121.32 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 0.17 0.01 0.00 0.52 0.00 0.00 34.95 35.61 1rit s ARG 45 CO 0.03 -0.09 -0.12 0.54 0.02 0.00 0.00 175.30 175.68 1rit s VAL 46 N -2.22 1.10 0.06 3.52 0.11 -0.12 -1.69 120.40 121.18 1rit s VAL 46 Ca -0.09 -0.45 0.06 0.00 -2.93 0.00 0.00 61.98 58.57 1rit s VAL 46 Cb -0.04 -1.02 -0.03 0.00 -1.53 0.00 0.00 36.38 33.76 1rit s VAL 46 CO -0.03 0.35 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.16 1rit s LEU 47 N 0.75 2.22 -0.28 2.54 1.43 -0.33 -1.46 118.68 123.56 1rit s LEU 47 Ca -0.13 -0.56 -0.29 0.00 -1.03 0.00 0.00 54.13 52.12 1rit s LEU 47 Cb -0.16 -0.69 -0.01 0.00 0.03 0.00 0.00 46.19 45.37 1rit s LEU 47 CO 0.03 0.03 1.39 -0.47 0.23 0.00 0.00 176.35 177.56 1rit s TYR 48 N -1.02 2.51 0.28 0.29 5.04 -0.29 -0.75 117.35 123.41 1rit s TYR 48 Ca 0.02 0.77 -0.06 0.00 -2.44 0.00 0.00 57.07 55.37 1rit s TYR 48 Cb -0.09 -3.94 0.52 0.00 0.35 0.00 0.00 41.96 38.80 1rit s TYR 48 CO 0.02 -2.06 1.53 0.00 -1.34 0.00 0.00 175.55 173.70 1rit n ALA 49 N 7.89 0.29 -1.88 3.97 0.00 0.12 -4.60 120.51 126.32 1rit n ALA 49 Ca 0.16 1.07 -0.38 0.00 0.00 0.00 0.00 53.44 54.29 1rit n ALA 49 Cb 0.46 -0.67 -0.06 0.00 0.00 0.00 0.00 19.45 19.18 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 -6.18 4.61 0.28 0.00 -2.45 -1.26 -4.99 119.30 109.31 1rit s MET 50 Ca -0.14 1.26 -0.29 0.00 -1.25 0.00 0.00 55.69 55.27 1rit s MET 50 Cb 0.27 -3.08 -0.09 0.00 1.25 0.00 0.00 34.83 33.17 1rit s MET 50 CO 0.76 0.45 1.01 -2.14 1.05 0.00 0.00 175.02 176.16 1rit s PRO 51 N -1.53 4.69 -0.15 4.11 0.02 -1.26 -4.80 135.00 136.09 1rit s PRO 51 Ca 0.42 1.61 -0.03 0.00 0.02 0.00 0.00 61.00 63.02 1rit s PRO 51 Cb -0.22 -3.15 -0.03 0.00 0.02 0.00 0.00 34.50 31.13 1rit s PRO 51 CO 0.26 0.32 -0.06 0.08 -0.33 0.00 0.00 177.00 177.28 1rit s VAL 52 N -1.25 3.73 -0.77 3.83 1.01 -0.48 -4.91 120.40 121.57 1rit s VAL 52 Ca 0.44 -0.42 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 1rit s VAL 52 Cb -0.28 -2.62 0.04 0.00 0.00 0.00 0.00 36.38 33.52 1rit s VAL 52 CO 0.35 0.51 1.28 -0.60 0.00 0.00 0.00 175.10 176.63 1rit s ARG 53 N 0.29 3.23 0.32 2.72 3.52 -1.26 -1.88 118.95 125.88 1rit s ARG 53 Ca -0.05 -0.38 0.15 0.00 -0.13 0.00 0.00 55.73 55.32 1rit s ARG 53 Cb -0.14 -4.31 0.49 0.00 -1.56 0.00 0.00 34.95 29.42 1rit s ARG 53 CO 0.03 -2.13 1.66 -0.84 -0.81 0.00 0.00 175.30 173.21 1rit h ILE 54 N 6.11 1.16 -3.83 4.11 3.07 -1.46 -3.46 117.51 123.20 1rit h ILE 54 Ca -0.23 -1.86 -0.09 0.00 1.55 0.00 0.00 64.86 64.23 1rit h ILE 54 Cb 1.05 2.06 -0.14 0.00 -0.27 0.00 0.00 36.82 39.52 1rit h ILE 54 CO 1.29 0.49 -0.37 -1.66 -1.05 0.00 0.00 178.15 176.85 1rit s TRP 55 N -3.57 0.20 -0.17 0.16 1.48 -1.25 0.28 118.94 116.08 1rit s TRP 55 Ca -0.00 -0.63 -0.00 0.00 -1.06 0.00 0.00 56.10 54.41 1rit s TRP 55 Cb 0.12 -0.07 0.00 0.00 -1.16 0.00 0.00 33.47 32.36 1rit s TRP 55 CO 0.73 -0.57 -0.14 0.45 -4.06 0.00 0.00 176.95 173.36 1rit s SER 56 N -2.88 3.71 0.36 -2.66 0.15 -0.80 -4.74 113.70 106.83 1rit s SER 56 Ca 0.07 -0.48 0.26 0.00 0.70 0.00 0.00 55.95 56.50 1rit s SER 56 Cb 0.05 -1.58 1.27 0.00 -1.71 0.00 0.00 66.02 64.04 1rit s SER 56 CO -0.09 0.05 1.78 0.77 1.20 0.00 0.00 173.24 176.96 1rit h SER 57 N 7.53 0.00 0.01 5.45 4.64 -1.95 0.59 113.55 129.82 1rit h SER 57 Ca -0.36 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.66 1rit h SER 57 Cb 1.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 1rit h SER 57 CO 0.59 0.00 -1.61 0.00 -0.87 0.00 0.00 176.83 174.94 1rit n ALA 58 N -1.84 0.89 0.09 5.18 0.00 -1.26 -4.48 120.51 119.10 1rit n ALA 58 Ca -0.00 -0.64 -0.17 0.00 0.00 0.00 0.00 53.44 52.63 1rit n ALA 58 Cb 0.12 -0.42 -0.10 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.91 1.39 0.00 0.00 1.35 -1.92 -3.47 112.91 109.36 1rit h THR 59 Ca -0.44 -2.65 0.00 0.00 -0.55 0.00 0.00 66.41 62.78 1rit h THR 59 Cb 1.43 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 70.53 1rit h THR 59 CO -0.24 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 1rit n GLY 60 N 1.27 1.39 3.82 5.82 0.00 0.20 -5.02 105.19 112.68 1rit n GLY 60 Ca -0.10 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 -3.04 5.74 -0.05 1.61 0.02 -1.25 -4.83 114.94 113.14 1rit s ASN 61 Ca 0.00 1.67 0.02 0.00 -1.02 0.00 0.00 52.86 53.53 1rit s ASN 61 Cb 0.00 -2.51 0.01 0.00 0.02 0.00 0.00 41.25 38.77 1rit s ASN 61 CO 0.00 -1.20 -0.10 -0.69 0.02 0.00 0.00 177.10 175.13 1rit s VAL 62 N -2.79 0.95 0.67 1.60 1.01 -1.26 -1.91 120.40 118.68 1rit s VAL 62 Ca 0.60 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 1rit s VAL 62 Cb -0.14 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1rit s VAL 62 CO 0.46 0.30 1.11 0.00 0.00 0.00 0.00 175.10 176.97 1rit s ALA 63 N 0.46 2.44 0.14 5.51 0.00 0.14 -4.54 121.76 125.92 1rit s ALA 63 Ca -0.09 0.54 0.06 0.00 0.00 0.00 0.00 51.96 52.47 1rit s ALA 63 Cb -0.13 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1rit s ALA 63 CO 0.02 -1.33 -0.01 -1.12 0.00 0.00 0.00 175.76 173.32 1rit s SER 64 N -2.62 4.81 0.00 0.00 0.01 -1.02 -4.36 113.70 110.53 1rit s SER 64 Ca 0.67 -0.32 -0.10 0.00 1.31 0.00 0.00 55.95 57.51 1rit s SER 64 Cb -0.20 -1.05 0.01 0.00 0.21 0.00 0.00 66.02 64.98 1rit s SER 64 CO 0.43 0.13 0.19 0.72 0.41 0.00 0.00 173.24 175.11 1rit s PHE 65 N -1.53 -0.01 -0.29 2.43 -0.12 -1.11 -1.07 117.98 116.29 1rit s PHE 65 Ca 0.26 -0.06 0.01 0.00 -0.05 0.00 0.00 56.93 57.09 1rit s PHE 65 Cb -0.10 -0.01 0.08 0.00 -0.63 0.00 0.00 43.02 42.36 1rit s PHE 65 CO 0.18 -0.34 0.03 -1.17 -0.05 0.00 0.00 175.22 173.87 1rit s LEU 66 N -1.49 2.93 -0.03 -1.99 2.96 0.19 -1.11 118.68 120.15 1rit s LEU 66 Ca -0.13 -1.57 0.04 0.00 -0.22 0.00 0.00 54.13 52.26 1rit s LEU 66 Cb -0.06 -1.15 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 1rit s LEU 66 CO 0.01 -0.34 -0.16 0.28 -1.32 0.00 0.00 176.35 174.82 1rit s THR 67 N 1.37 1.32 0.03 3.68 -1.32 -0.61 -2.01 115.64 118.10 1rit s THR 67 Ca 0.04 -0.68 0.03 0.00 -1.21 0.00 0.00 61.69 59.87 1rit s THR 67 Cb -0.18 -1.13 -0.02 0.00 -1.51 0.00 0.00 72.50 69.66 1rit s THR 67 CO -0.13 0.38 -0.09 -0.94 -2.21 0.00 0.00 174.62 171.63 1rit s SER 68 N -0.11 0.98 0.19 8.08 1.04 -0.18 0.11 113.70 123.81 1rit s SER 68 Ca 0.00 -0.37 -0.12 0.00 0.48 0.00 0.00 55.95 55.94 1rit s SER 68 Cb -0.09 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1rit s SER 68 CO 0.01 -0.05 0.40 0.72 0.98 0.00 0.00 173.24 175.29 1rit s PHE 69 N -0.82 0.23 0.02 5.02 -0.12 0.05 -1.33 117.98 121.03 1rit s PHE 69 Ca -0.03 -0.58 0.03 0.00 -0.05 0.00 0.00 56.93 56.30 1rit s PHE 69 Cb -0.07 0.13 -0.02 0.00 -0.63 0.00 0.00 43.02 42.44 1rit s PHE 69 CO 0.00 -0.84 -0.11 -1.54 -0.05 0.00 0.00 175.22 172.69 1rit s SER 70 N -2.95 1.24 0.31 1.98 1.04 -0.83 -0.20 113.70 114.29 1rit s SER 70 Ca 0.16 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.25 1rit s SER 70 Cb 0.01 -0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 1rit s SER 70 CO 0.01 0.02 0.34 0.72 0.98 0.00 0.00 173.24 175.31 1rit s PHE 71 N -0.67 1.31 -0.19 5.02 -0.12 -0.74 -0.99 117.98 121.61 1rit s PHE 71 Ca 0.00 -1.42 -0.17 0.00 -0.05 0.00 0.00 56.93 55.30 1rit s PHE 71 Cb -0.06 -0.40 0.05 0.00 -0.63 0.00 0.00 43.02 41.98 1rit s PHE 71 CO 0.00 -0.94 0.50 -2.00 -0.05 0.00 0.00 175.22 172.73 1rit s GLU 72 N -3.47 0.58 -0.30 1.99 2.12 0.10 -0.42 118.70 119.30 1rit s GLU 72 Ca 0.35 0.70 -0.01 0.00 0.36 0.00 0.00 54.97 56.37 1rit s GLU 72 Cb 0.02 0.27 0.10 0.00 0.26 0.00 0.00 34.13 34.78 1rit s GLU 72 CO 0.21 -0.07 0.09 -1.64 -0.54 0.00 0.00 175.26 173.31 1rit s MET 73 N 0.30 0.70 -0.01 4.30 -1.94 -1.26 -0.63 119.30 120.75 1rit s MET 73 Ca -0.00 -1.00 -0.15 0.00 -1.71 0.00 0.00 55.69 52.82 1rit s MET 73 Cb -0.04 -1.96 -0.06 0.00 2.01 0.00 0.00 34.83 34.79 1rit s MET 73 CO 0.00 -0.96 0.41 0.21 -0.01 0.00 0.00 175.02 174.67 1rit s LYS 74 N 1.65 3.95 0.84 2.03 2.20 -1.20 -3.17 119.74 126.04 1rit s LYS 74 Ca 0.09 0.40 -0.12 0.00 -0.36 0.00 0.00 55.97 55.98 1rit s LYS 74 Cb -0.17 -3.24 0.09 0.00 -1.51 0.00 0.00 37.83 33.00 1rit s LYS 74 CO -0.25 0.64 1.11 -0.51 -0.36 0.00 0.00 175.35 175.99 1rit s ASP 75 N -0.91 4.17 -0.05 1.43 1.01 -1.26 -2.12 116.67 118.94 1rit s ASP 75 Ca 0.24 1.16 -0.01 0.00 0.71 0.00 0.00 52.55 54.64 1rit s ASP 75 Cb -0.16 -1.83 0.03 0.00 1.01 0.00 0.00 42.92 41.96 1rit s ASP 75 CO 0.13 -2.15 0.03 0.27 0.21 0.00 0.00 175.17 173.65 1rit s ILE 76 N -3.22 0.11 -0.03 0.77 -4.36 -1.26 -4.86 121.20 108.34 1rit s ILE 76 Ca 0.62 0.26 -0.13 0.00 -0.26 0.00 0.00 60.65 61.14 1rit s ILE 76 Cb -0.14 -0.30 -0.06 0.00 1.25 0.00 0.00 42.46 43.20 1rit s ILE 76 CO 0.54 0.20 0.37 1.17 0.24 0.00 0.00 174.94 177.46 1rit n LYS 77 N 5.03 0.00 -3.41 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 -0.47 0.08 0.00 0.02 0.00 0.00 35.03 35.16 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 0.63 -3.51 -3.70 3.14 8.00 -1.26 -5.03 116.55 114.83 1rit n ASP 78 Ca 0.07 -0.56 -0.14 0.00 0.71 0.00 0.00 54.79 54.88 1rit n ASP 78 Cb 0.02 -4.82 -0.09 0.00 -0.02 0.00 0.00 41.12 36.20 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 -0.47 -0.04 1.24 2.02 -0.97 -5.07 117.35 110.73 1rit s TYR 79 Ca 0.20 1.06 -0.30 0.00 -0.37 0.00 0.00 57.07 57.66 1rit s TYR 79 Cb -0.09 0.18 -0.02 0.00 -0.40 0.00 0.00 41.96 41.63 1rit s TYR 79 CO 0.69 -0.31 1.02 -0.51 -1.57 0.00 0.00 175.55 174.87 1rit s ASP 80 N -0.19 7.28 -0.33 2.29 1.11 -0.87 -4.73 116.67 121.24 1rit s ASP 80 Ca -0.04 1.64 -0.28 0.00 0.18 0.00 0.00 52.55 54.05 1rit s ASP 80 Cb -0.03 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 1rit s ASP 80 CO 0.02 -0.37 1.92 -2.84 1.18 0.00 0.00 175.17 175.08 1rit s PRO 81 N 1.51 3.20 0.15 8.23 0.02 -1.26 -0.28 135.00 146.57 1rit s PRO 81 Ca 0.51 1.52 -0.25 0.00 0.02 0.00 0.00 61.00 62.80 1rit s PRO 81 Cb -0.21 -4.26 0.06 0.00 0.02 0.00 0.00 34.50 30.11 1rit s PRO 81 CO 0.23 -2.02 0.85 0.00 -0.33 0.00 0.00 177.00 175.73 1rit s ALA 82 N 7.56 -1.59 -0.13 -1.55 0.00 -1.26 -4.32 121.76 120.47 1rit s ALA 82 Ca 0.84 0.27 0.21 0.00 0.00 0.00 0.00 51.96 53.29 1rit s ALA 82 Cb -0.24 0.67 -0.18 0.00 0.00 0.00 0.00 23.12 23.37 1rit s ALA 82 CO 0.33 -0.93 0.71 -0.25 0.00 0.00 0.00 175.76 175.62 1rit n ASP 83 N -0.41 0.43 0.00 0.00 8.00 0.37 -3.32 116.55 121.62 1rit n ASP 83 Ca -0.08 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1rit n ASP 83 Cb 0.61 1.10 0.00 0.00 -0.02 0.00 0.00 41.12 42.81 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 1.28 2.34 4.01 0.44 0.00 -1.26 -2.87 105.19 109.13 1rit n GLY 84 Ca -0.05 -2.09 -0.18 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.79 2.92 -0.24 -0.61 1.01 -1.18 -4.11 121.20 117.21 1rit s ILE 85 Ca 0.00 -0.95 -0.14 0.00 0.00 0.00 0.00 60.65 59.55 1rit s ILE 85 Cb 0.00 -2.97 0.07 0.00 0.01 0.00 0.00 42.46 39.57 1rit s ILE 85 CO 0.00 0.00 0.58 -0.51 0.00 0.00 0.00 174.94 175.01 1rit s ILE 86 N -2.42 -0.01 -0.25 2.92 2.07 -0.31 -1.84 121.20 121.36 1rit s ILE 86 Ca 0.56 0.03 -0.10 0.00 -1.41 0.00 0.00 60.65 59.73 1rit s ILE 86 Cb -0.10 -0.85 -0.05 0.00 0.13 0.00 0.00 42.46 41.60 1rit s ILE 86 CO 0.34 0.01 0.15 0.12 -1.91 0.00 0.00 174.94 173.65 1rit s PHE 87 N 1.36 3.24 0.18 3.50 5.36 -0.26 -0.24 117.98 131.13 1rit s PHE 87 Ca -0.08 0.08 -0.01 0.00 -0.96 0.00 0.00 56.93 55.95 1rit s PHE 87 Cb -0.06 -2.30 -0.04 0.00 -0.34 0.00 0.00 43.02 40.29 1rit s PHE 87 CO -0.15 -0.08 0.12 -0.59 -1.46 0.00 0.00 175.22 173.06 1rit s PHE 88 N 1.37 1.08 -0.05 10.12 -0.71 -0.17 -0.15 117.98 129.47 1rit s PHE 88 Ca 0.07 -1.34 0.03 0.00 -1.04 0.00 0.00 56.93 54.65 1rit s PHE 88 Cb -0.15 -0.53 0.00 0.00 -1.21 0.00 0.00 43.02 41.13 1rit s PHE 88 CO 0.07 -0.61 -0.15 0.42 -1.34 0.00 0.00 175.22 173.61 1rit s ILE 89 N -4.13 1.27 0.23 -4.49 1.01 0.12 -2.09 121.20 113.11 1rit s ILE 89 Ca 0.35 -0.59 -0.07 0.00 0.00 0.00 0.00 60.65 60.34 1rit s ILE 89 Cb 0.07 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 1rit s ILE 89 CO 0.09 0.38 0.31 0.00 0.00 0.00 0.00 174.94 175.72 1rit s ALA 90 N 0.33 0.47 0.39 9.38 0.00 -0.85 -1.25 121.76 130.22 1rit s ALA 90 Ca -0.09 -1.29 -0.27 0.00 0.00 0.00 0.00 51.96 50.30 1rit s ALA 90 Cb -0.13 1.23 -0.10 0.00 0.00 0.00 0.00 23.12 24.12 1rit s ALA 90 CO 0.03 -0.72 1.40 -2.14 0.00 0.00 0.00 175.76 174.33 1rit s PRO 91 N -4.07 4.06 0.55 0.00 0.02 -1.26 -0.56 135.00 133.74 1rit s PRO 91 Ca 0.31 2.39 0.39 0.00 0.02 0.00 0.00 61.00 64.11 1rit s PRO 91 Cb 0.03 -2.90 1.55 0.00 0.02 0.00 0.00 34.50 33.21 1rit s PRO 91 CO 0.11 -0.50 1.73 1.05 -0.33 0.00 0.00 177.00 179.05 1rit h GLU 92 N 2.90 0.00 -0.01 5.54 4.11 -1.74 0.12 114.58 125.50 1rit h GLU 92 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1rit h GLU 92 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1rit h GLU 92 CO 0.64 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.32 1rit n ASP 93 N -4.03 0.51 -4.50 3.06 5.68 -1.26 -4.92 116.55 111.08 1rit n ASP 93 Ca 0.29 -1.21 -0.64 0.00 -0.50 0.00 0.00 54.79 52.73 1rit n ASP 93 Cb 1.40 -0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 41.27 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 -0.58 0.00 -3.78 2.12 5.66 0.41 -4.98 114.28 113.13 1rit n THR 94 Ca 0.21 -0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.98 1rit n THR 94 Cb 0.19 -0.51 -0.02 0.00 -1.55 0.00 0.00 70.33 68.44 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 4.49 3.47 -0.21 1.09 -1.52 -1.26 -5.05 119.66 120.67 1rit s GLN 95 Ca 1.12 -0.56 -0.29 0.00 -1.95 0.00 0.00 55.36 53.69 1rit s GLN 95 Cb -1.49 -2.84 0.01 0.00 -0.22 0.00 0.00 33.01 28.46 1rit s GLN 95 CO 0.74 0.37 1.07 -1.50 -0.25 0.00 0.00 175.29 175.73 1rit s ILE 96 N -2.00 4.62 0.99 1.08 2.07 -1.26 -4.99 121.20 121.72 1rit s ILE 96 Ca 0.36 1.96 -0.17 0.00 -1.41 0.00 0.00 60.65 61.39 1rit s ILE 96 Cb -0.10 -4.26 -0.08 0.00 0.13 0.00 0.00 42.46 38.14 1rit s ILE 96 CO 0.30 -0.17 -0.48 -2.65 -1.91 0.00 0.00 174.94 170.04 1rit n PRO 97 N 6.30 -0.19 -1.98 3.50 -0.02 -1.26 -4.86 135.00 136.49 1rit n PRO 97 Ca 0.12 -0.04 -0.42 0.00 -2.02 0.00 0.00 63.50 61.14 1rit n PRO 97 Cb 0.46 -1.30 -0.03 0.00 -0.02 0.00 0.00 33.50 32.61 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 -2.13 3.69 0.44 3.55 0.00 -1.26 -4.95 121.76 121.09 1rit s ALA 98 Ca 0.46 1.34 -0.25 0.00 0.00 0.00 0.00 51.96 53.51 1rit s ALA 98 Cb -0.15 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.30 1rit s ALA 98 CO 0.75 -0.76 1.32 0.20 0.00 0.00 0.00 175.76 177.28 1rit s GLY 99 N 0.73 2.90 0.39 0.00 0.00 -1.26 -4.93 107.32 105.15 1rit s GLY 99 Ca 0.64 1.26 0.04 0.00 0.00 0.00 0.00 44.72 46.66 1rit s GLY 99 CO 0.38 1.83 0.10 -0.56 0.00 0.00 0.00 173.10 174.85 1rit s SER 100 N -0.80 2.74 0.00 1.64 0.01 -1.26 -5.08 113.70 110.96 1rit s SER 100 Ca 0.61 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 56.28 1rit s SER 100 Cb -0.39 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.19 1rit s SER 100 CO 0.49 -0.84 0.00 2.30 0.41 0.00 0.00 173.24 175.60 1rit n ILE 101 N -0.87 0.00 -0.06 1.44 -5.35 -1.26 -4.07 119.36 109.19 1rit n ILE 101 Ca -0.06 0.08 0.02 0.00 -0.27 0.00 0.00 62.75 62.53 1rit n ILE 101 Cb 0.66 -0.93 0.35 0.00 -1.74 0.00 0.00 39.64 37.97 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 0.70 -1.68 3.28 0.00 -1.93 -2.94 103.07 100.51 1rit h GLY 102 Ca 0.00 -0.29 -0.39 0.00 0.00 0.00 0.00 47.33 46.64 1rit h GLY 102 CO 0.00 0.28 -2.11 0.61 0.00 0.00 0.00 176.54 175.33 1rit n GLY 103 N -1.33 -2.54 2.51 4.60 0.00 -1.26 -4.70 105.19 102.48 1rit n GLY 103 Ca 0.04 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 2.78 1.59 0.24 -0.02 0.00 -1.26 -4.47 105.19 104.04 1rit n GLY 104 Ca -0.02 -0.63 0.10 0.00 0.00 0.00 0.00 46.02 45.47 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 0.79 0.09 -1.25 2.61 -2.24 -1.26 -4.89 114.28 108.12 1rit n THR 105 Ca 0.14 -0.15 -0.11 0.00 -2.27 0.00 0.00 64.05 61.66 1rit n THR 105 Cb 0.65 -0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.31 -0.70 -0.98 3.22 4.77 -1.26 -1.77 117.00 119.97 1rit n LEU 106 Ca 0.15 0.27 -0.10 0.00 -0.03 0.00 0.00 56.01 56.30 1rit n LEU 106 Cb 0.18 -1.89 -0.02 0.00 -2.33 0.00 0.00 43.42 39.36 1rit n LEU 106 CO 0.11 -0.65 -0.11 0.61 -1.33 0.00 0.00 177.39 176.02 1rit n GLY 107 N -0.11 0.40 0.00 -0.72 0.00 -1.24 -3.32 105.19 100.18 1rit n GLY 107 Ca -0.11 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.53 0.02 -4.21 1.61 0.24 -0.73 -4.36 118.33 107.37 1rit n VAL 108 Ca -0.11 -0.10 -0.14 0.00 -2.04 0.00 0.00 64.34 61.95 1rit n VAL 108 Cb 0.49 1.73 -0.09 0.00 -1.47 0.00 0.00 33.84 34.50 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 -0.02 0.58 0.90 -1.34 1.04 -1.23 -4.58 113.70 109.04 1rit s SER 109 Ca 0.00 -1.48 -0.07 0.00 0.48 0.00 0.00 55.95 54.88 1rit s SER 109 Cb 0.00 0.44 0.12 0.00 0.10 0.00 0.00 66.02 66.68 1rit s SER 109 CO 0.00 -0.92 0.73 -0.90 0.98 0.00 0.00 173.24 173.12 1rit n ASP 110 N -0.65 0.24 -0.12 7.02 5.68 -0.41 -4.60 116.55 123.71 1rit n ASP 110 Ca 0.03 -1.38 0.10 0.00 -0.50 0.00 0.00 54.79 53.04 1rit n ASP 110 Cb 0.65 -0.54 0.44 0.00 -1.14 0.00 0.00 41.12 40.53 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 -1.21 0.94 0.00 2.12 2.02 -1.91 -1.27 112.91 113.59 1rit h THR 111 Ca -0.24 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.67 1rit h THR 111 Cb 0.69 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1rit h THR 111 CO 0.18 0.10 -0.42 0.11 0.37 0.00 0.00 175.52 175.87 1rit h LYS 112 N 0.55 0.00 0.00 6.66 1.79 -2.00 -3.47 116.57 120.10 1rit h LYS 112 Ca 0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1rit h LYS 112 Cb 0.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1rit h LYS 112 CO -0.09 0.42 0.00 0.41 -1.08 0.00 0.00 179.45 179.10 1rit n GLY 113 N 0.16 1.09 3.94 3.86 0.00 -0.48 -4.98 105.19 108.79 1rit n GLY 113 Ca -0.01 0.00 -0.24 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 3.68 0.00 4.61 0.00 -1.26 -1.17 121.76 125.61 1rit s ALA 114 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1rit s ALA 114 Cb 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.94 1rit s ALA 114 CO 0.00 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1rit n GLY 115 N -1.93 1.83 3.26 0.00 0.00 -1.09 -1.29 105.19 105.97 1rit n GLY 115 Ca -0.02 -0.77 -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 0.05 1.61 2.46 -1.26 -4.14 115.29 115.46 1rit s HIS 116 Ca 0.00 -1.77 -0.28 0.00 0.47 0.00 0.00 55.06 53.48 1rit s HIS 116 Cb 0.00 -3.65 0.10 0.00 -0.13 0.00 0.00 32.58 28.89 1rit s HIS 116 CO 0.00 -0.99 1.17 -0.59 -2.47 0.00 0.00 174.74 171.86 1rit s PHE 117 N 1.04 -0.04 -0.03 3.88 -0.71 -1.26 -4.35 117.98 116.50 1rit s PHE 117 Ca 0.09 -0.16 -0.01 0.00 -1.04 0.00 0.00 56.93 55.81 1rit s PHE 117 Cb -0.23 0.59 0.03 0.00 -1.21 0.00 0.00 43.02 42.20 1rit s PHE 117 CO -0.02 -0.50 0.06 0.08 -1.34 0.00 0.00 175.22 173.51 1rit s VAL 118 N -2.56 -0.05 0.27 -2.49 1.01 -0.38 0.03 120.40 116.23 1rit s VAL 118 Ca 0.17 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 62.13 1rit s VAL 118 Cb 0.02 -0.13 0.03 0.00 0.00 0.00 0.00 36.38 36.30 1rit s VAL 118 CO -0.01 0.08 0.76 -0.83 0.00 0.00 0.00 175.10 175.10 1rit s GLY 119 N 1.04 -0.06 -0.19 4.51 0.00 -0.45 0.11 107.32 112.29 1rit s GLY 119 Ca -0.08 -0.30 -0.04 0.00 0.00 0.00 0.00 44.72 44.30 1rit s GLY 119 CO -0.04 -0.07 -0.03 0.14 0.00 0.00 0.00 173.10 173.10 1rit s VAL 120 N -3.67 3.71 0.06 1.40 1.01 0.78 -0.52 120.40 123.17 1rit s VAL 120 Ca 0.12 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.73 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 0.07 0.45 0.02 -1.83 0.00 0.00 0.00 175.10 173.81 1rit s GLU 121 N 0.88 2.71 -0.59 2.72 -1.05 -0.81 -1.10 118.70 121.46 1rit s GLU 121 Ca -0.00 -0.72 0.06 0.00 -0.15 0.00 0.00 54.97 54.16 1rit s GLU 121 Cb -0.14 -2.63 0.27 0.00 -0.44 0.00 0.00 34.13 31.18 1rit s GLU 121 CO 0.01 0.58 0.75 1.19 0.95 0.00 0.00 175.26 178.74 1rit n PHE 122 N 0.83 3.13 -2.46 4.83 3.72 -0.77 -1.05 117.46 125.69 1rit n PHE 122 Ca -0.12 -4.05 -0.42 0.00 -0.05 0.00 0.00 57.45 52.81 1rit n PHE 122 Cb 0.52 -0.52 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 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 -2.46 7.12 -0.09 4.37 -1.08 -0.86 -3.08 116.67 120.59 1rit s ASP 123 Ca 0.41 1.98 0.13 0.00 -0.52 0.00 0.00 52.55 54.55 1rit s ASP 123 Cb 0.18 -2.58 0.24 0.00 -1.46 0.00 0.00 42.92 39.29 1rit s ASP 123 CO -0.04 -0.43 1.14 0.35 0.52 0.00 0.00 175.17 176.71 1rit n THR 124 N 3.83 1.64 -3.66 1.71 -2.24 -1.14 -1.64 114.28 112.78 1rit n THR 124 Ca 0.08 -1.80 -0.07 0.00 -2.27 0.00 0.00 64.05 59.99 1rit n THR 124 Cb 0.47 0.01 -0.08 0.00 -2.10 0.00 0.00 70.33 68.62 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 -2.25 -0.92 0.19 4.78 6.14 -1.26 -4.76 117.35 119.27 1rit s TYR 125 Ca 0.24 1.73 -0.30 0.00 0.64 0.00 0.00 57.07 59.38 1rit s TYR 125 Cb 0.20 0.44 -0.08 0.00 0.42 0.00 0.00 41.96 42.95 1rit s TYR 125 CO 0.03 -0.51 1.11 0.45 0.64 0.00 0.00 175.55 177.28 1rit s SER 126 N 2.44 7.24 -0.25 4.32 0.15 -1.26 -5.01 113.70 121.32 1rit s SER 126 Ca -0.04 2.12 -0.01 0.00 0.70 0.00 0.00 55.95 58.72 1rit s SER 126 Cb -0.11 -2.61 0.08 0.00 -1.71 0.00 0.00 66.02 61.67 1rit s SER 126 CO -0.15 -0.24 0.03 0.20 1.20 0.00 0.00 173.24 174.29 1rit s ASN 127 N -0.13 3.67 0.52 5.45 -0.87 -1.26 -4.98 114.94 117.34 1rit s ASN 127 Ca 0.49 -1.28 0.37 0.00 -1.57 0.00 0.00 52.86 50.88 1rit s ASN 127 Cb -0.30 -0.91 1.54 0.00 -0.02 0.00 0.00 41.25 41.56 1rit s ASN 127 CO 0.36 -0.33 1.74 0.77 -2.57 0.00 0.00 177.10 177.07 1rit h SER 128 N 8.07 0.07 0.05 -1.22 4.64 -1.95 0.60 113.55 123.81 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 1.06 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1rit h SER 128 CO 0.41 -0.01 -0.01 1.05 -0.87 0.00 0.00 176.83 177.41 1rit h GLU 129 N 0.05 0.00 0.00 4.77 9.09 -1.97 -2.99 114.58 123.53 1rit h GLU 129 Ca 0.67 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.08 1rit h GLU 129 Cb 2.53 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.63 1rit h GLU 129 CO -0.07 0.01 -0.19 0.66 0.05 0.00 0.00 179.01 179.46 1rit n TYR 130 N -3.37 0.00 -1.06 2.06 4.01 0.19 -4.99 117.16 114.00 1rit n TYR 130 Ca -0.03 -0.52 -0.02 0.00 -0.16 0.00 0.00 57.90 57.18 1rit n TYR 130 Cb 0.09 -0.09 -0.01 0.00 -0.31 0.00 0.00 39.34 39.01 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 -0.72 -4.12 -4.71 7.72 4.13 -1.13 -4.27 115.26 112.16 1rit n ASN 131 Ca 0.08 0.05 -0.60 0.00 1.68 0.00 0.00 54.58 55.79 1rit n ASN 131 Cb 0.62 -1.81 -0.08 0.00 -1.54 0.00 0.00 39.78 36.98 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 -0.11 1.97 -4.46 6.41 9.92 -1.16 -4.87 116.55 124.24 1rit n ASP 132 Ca -0.02 1.11 -0.34 0.00 -0.53 0.00 0.00 54.79 55.01 1rit n ASP 132 Cb 0.21 -1.07 0.10 0.00 -0.64 0.00 0.00 41.12 39.73 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 4.72 -0.03 -0.33 -0.24 -0.02 -1.26 -4.52 135.00 133.33 1rit n PRO 133 Ca 0.27 0.04 0.27 0.00 -2.02 0.00 0.00 63.50 62.06 1rit n PRO 133 Cb 0.08 -1.91 0.51 0.00 -0.02 0.00 0.00 33.50 32.16 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 -1.06 0.13 0.00 0.52 0.13 -2.01 -3.43 132.00 126.28 1rit h PRO 134 Ca -0.44 -0.01 -0.31 0.00 -0.87 0.00 0.00 66.00 64.37 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 -0.25 0.25 -0.23 0.00 0.00 178.00 178.24 1rit n THR 135 N -5.20 0.00 -1.52 1.56 -2.24 -1.26 -4.70 114.28 100.92 1rit n THR 135 Ca 0.34 -1.27 -0.46 0.00 -2.27 0.00 0.00 64.05 60.39 1rit n THR 135 Cb 1.11 0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 69.73 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 -1.65 0.39 -3.87 3.42 9.92 -1.26 -4.87 116.55 118.64 1rit n ASP 136 Ca -0.05 1.16 -0.09 0.00 -0.53 0.00 0.00 54.79 55.28 1rit n ASP 136 Cb 0.33 -1.17 -0.05 0.00 -0.64 0.00 0.00 41.12 39.60 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 -1.03 0.10 -0.10 1.24 -3.43 -0.65 -1.74 115.29 109.68 1rit s HIS 137 Ca 0.61 -0.47 0.03 0.00 -0.80 0.00 0.00 55.06 54.43 1rit s HIS 137 Cb -0.78 0.29 -0.01 0.00 -1.43 0.00 0.00 32.58 30.65 1rit s HIS 137 CO 0.58 -0.94 -0.21 0.08 -2.00 0.00 0.00 174.74 172.25 1rit s VAL 138 N -3.94 2.34 0.40 -5.38 1.01 -0.88 -2.02 120.40 111.94 1rit s VAL 138 Ca 0.15 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1rit s VAL 138 Cb -0.01 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1rit s VAL 138 CO 0.02 0.55 0.14 -0.83 0.00 0.00 0.00 175.10 174.98 1rit s GLY 139 N 0.25 2.59 -0.32 4.51 0.00 -0.22 -1.83 107.32 112.30 1rit s GLY 139 Ca -0.14 -1.29 0.01 0.00 0.00 0.00 0.00 44.72 43.30 1rit s GLY 139 CO 0.07 -1.81 0.09 -0.42 0.00 0.00 0.00 173.10 171.04 1rit s ILE 140 N -3.23 1.25 0.12 0.90 -1.09 -0.78 -1.93 121.20 116.43 1rit s ILE 140 Ca 0.25 -1.69 -0.15 0.00 -2.23 0.00 0.00 60.65 56.83 1rit s ILE 140 Cb 0.03 -1.93 -0.07 0.00 -1.58 0.00 0.00 42.46 38.90 1rit s ILE 140 CO 0.15 -0.67 0.53 -1.81 -1.23 0.00 0.00 174.94 171.91 1rit s ASP 141 N 1.38 6.85 -0.31 3.58 1.11 0.32 -1.06 116.67 128.55 1rit s ASP 141 Ca 0.10 1.08 -0.03 0.00 0.18 0.00 0.00 52.55 53.88 1rit s ASP 141 Cb -0.18 -2.29 0.11 0.00 1.07 0.00 0.00 42.92 41.63 1rit s ASP 141 CO -0.20 0.15 0.15 -0.69 1.18 0.00 0.00 175.17 175.76 1rit s VAL 142 N -1.37 0.12 -2.00 -1.27 1.01 -1.26 -1.33 120.40 114.29 1rit s VAL 142 Ca 0.35 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1rit s VAL 142 Cb -0.16 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.11 1rit s VAL 142 CO 0.19 -0.78 0.00 0.59 0.00 0.00 0.00 175.10 175.09 1rit n ASN 143 N 4.91 -5.32 -3.64 3.32 3.02 0.10 -4.94 115.26 112.71 1rit n ASN 143 Ca -0.01 0.47 -0.10 0.00 -0.03 0.00 0.00 54.58 54.90 1rit n ASN 143 Cb 0.41 -4.48 -0.07 0.00 -0.61 0.00 0.00 39.78 35.03 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 -2.79 -0.55 0.00 6.41 0.15 -1.26 -2.66 113.70 113.01 1rit s SER 144 Ca 0.00 1.04 0.23 0.00 0.70 0.00 0.00 55.95 57.91 1rit s SER 144 Cb 0.00 1.07 1.20 0.00 -1.71 0.00 0.00 66.02 66.58 1rit s SER 144 CO 0.00 -0.18 1.74 1.33 1.20 0.00 0.00 173.24 177.33 1rit n VAL 145 N 2.49 0.22 -2.91 4.45 0.24 -0.32 -4.15 118.33 118.36 1rit n VAL 145 Ca -0.13 0.06 -0.44 0.00 -2.04 0.00 0.00 64.34 61.78 1rit n VAL 145 Cb 0.56 -0.69 -0.00 0.00 -1.47 0.00 0.00 33.84 32.24 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 -2.42 6.98 0.19 -1.34 -1.08 -1.26 -4.95 116.67 112.78 1rit s ASP 146 Ca 0.25 -2.79 -0.20 0.00 -0.52 0.00 0.00 52.55 49.29 1rit s ASP 146 Cb 0.15 -2.42 -0.13 0.00 -1.46 0.00 0.00 42.92 39.07 1rit s ASP 146 CO 0.32 -0.84 0.32 -1.20 0.52 0.00 0.00 175.17 174.29 1rit n SER 147 N 6.07 -1.22 -0.06 -0.34 7.64 -1.26 -4.88 113.62 119.57 1rit n SER 147 Ca 0.36 0.80 -0.14 0.00 1.01 0.00 0.00 58.87 60.90 1rit n SER 147 Cb 0.44 -0.71 -0.07 0.00 -1.01 0.00 0.00 64.21 62.87 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 0.64 1.35 -4.00 0.44 2.07 -1.41 -3.45 116.25 111.88 1rit h VAL 148 Ca -0.23 -1.47 -0.20 0.00 0.82 0.00 0.00 66.70 65.62 1rit h VAL 148 Cb 1.09 1.89 -0.19 0.00 -1.52 0.00 0.00 31.29 32.57 1rit h VAL 148 CO 0.41 0.44 -0.71 -0.75 0.02 0.00 0.00 177.57 176.99 1rit s LYS 149 N -4.15 0.51 0.06 1.57 2.20 -1.24 -5.01 119.74 113.67 1rit s LYS 149 Ca -0.13 -0.87 -0.07 0.00 -0.36 0.00 0.00 55.97 54.53 1rit s LYS 149 Cb 0.06 -0.03 -0.01 0.00 -1.51 0.00 0.00 37.83 36.34 1rit s LYS 149 CO 0.79 -0.03 0.14 0.95 -0.36 0.00 0.00 175.35 176.84 1rit s THR 150 N -2.21 0.14 -0.01 3.43 -4.23 -1.26 -1.87 115.64 109.63 1rit s THR 150 Ca -0.06 -1.15 -0.01 0.00 -1.18 0.00 0.00 61.69 59.30 1rit s THR 150 Cb -0.04 -1.11 0.00 0.00 1.34 0.00 0.00 72.50 72.69 1rit s THR 150 CO -0.03 -0.63 0.02 0.54 -0.54 0.00 0.00 174.62 173.97 1rit s VAL 151 N -3.14 -0.00 0.12 2.29 0.11 -0.76 -4.99 120.40 114.02 1rit s VAL 151 Ca -0.00 0.01 -0.32 0.00 -2.93 0.00 0.00 61.98 58.73 1rit s VAL 151 Cb 0.02 -0.03 -0.11 0.00 -1.53 0.00 0.00 36.38 34.72 1rit s VAL 151 CO -0.07 0.00 1.79 -2.65 -3.33 0.00 0.00 175.10 170.85 1rit n PRO 152 N 3.11 2.66 -4.26 1.54 -0.02 -1.26 -2.06 135.00 134.70 1rit n PRO 152 Ca -0.13 0.97 -0.14 0.00 -2.02 0.00 0.00 63.50 62.18 1rit n PRO 152 Cb 0.60 -2.84 -0.10 0.00 -0.02 0.00 0.00 33.50 31.14 1rit n PRO 152 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1rit s TRP 153 N 2.40 1.31 -0.12 6.00 -0.00 -0.71 -4.86 118.94 122.96 1rit s TRP 153 Ca 0.81 -1.08 -0.02 0.00 -0.00 0.00 0.00 56.10 55.82 1rit s TRP 153 Cb -0.53 -0.75 0.04 0.00 -0.00 0.00 0.00 33.47 32.23 1rit s TRP 153 CO 0.38 -0.26 0.01 1.21 -0.00 0.00 0.00 176.95 178.29 1rit s ASN 154 N -3.22 2.13 -0.06 5.86 2.47 -1.26 -4.08 114.94 116.78 1rit s ASN 154 Ca 0.29 -0.38 -0.25 0.00 0.42 0.00 0.00 52.86 52.93 1rit s ASN 154 Cb 0.07 -0.52 -0.03 0.00 -1.45 0.00 0.00 41.25 39.32 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 1.92 7.08 -0.24 -4.21 0.15 -1.26 -5.04 113.70 112.10 1rit s SER 155 Ca 0.03 1.31 -0.02 0.00 0.70 0.00 0.00 55.95 57.96 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 -0.07 -0.69 1.20 0.00 0.00 173.24 173.43 1rit s VAL 156 N 1.01 2.93 0.19 4.45 1.01 -1.26 -5.09 120.40 123.65 1rit s VAL 156 Ca 0.41 -0.90 -0.33 0.00 0.00 0.00 0.00 61.98 61.17 1rit s VAL 156 Cb -0.18 -2.44 -0.15 0.00 0.00 0.00 0.00 36.38 33.61 1rit s VAL 156 CO 0.20 0.27 1.31 -0.24 0.00 0.00 0.00 175.10 176.64 1rit n SER 157 N 4.70 2.05 -0.18 3.32 2.88 -1.26 -1.56 113.62 123.57 1rit n SER 157 Ca -0.17 1.14 -0.02 0.00 -1.33 0.00 0.00 58.87 58.48 1rit n SER 157 Cb 0.48 -1.31 -0.01 0.00 -0.75 0.00 0.00 64.21 62.62 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 2.23 0.45 3.83 0.46 0.00 -1.19 -4.94 105.19 106.03 1rit n GLY 158 Ca 0.14 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.68 3.82 -0.14 4.61 0.00 -0.60 -4.99 121.76 122.77 1rit s ALA 159 Ca 0.00 -0.65 -0.25 0.00 0.00 0.00 0.00 51.96 51.06 1rit s ALA 159 Cb 0.00 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.06 1rit s ALA 159 CO 0.00 0.47 0.79 0.08 0.00 0.00 0.00 175.76 177.10 1rit s VAL 160 N -0.57 4.93 -0.06 0.00 1.01 -1.26 -4.28 120.40 120.17 1rit s VAL 160 Ca 0.13 1.57 -0.00 0.00 0.00 0.00 0.00 61.98 63.67 1rit s VAL 160 Cb -0.12 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1rit s VAL 160 CO 0.02 0.09 -0.01 -0.69 0.00 0.00 0.00 175.10 174.51 1rit s VAL 161 N 1.77 4.16 -0.12 2.92 1.01 0.44 -4.46 120.40 126.11 1rit s VAL 161 Ca 0.38 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1rit s VAL 161 Cb -0.17 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1rit s VAL 161 CO 0.14 0.53 -0.08 -0.54 0.00 0.00 0.00 175.10 175.16 1rit s LYS 162 N -1.08 3.29 -0.08 2.72 1.02 -1.06 -1.79 119.74 122.76 1rit s LYS 162 Ca 0.15 -0.59 0.01 0.00 0.02 0.00 0.00 55.97 55.56 1rit s LYS 162 Cb -0.11 -2.71 0.02 0.00 -0.52 0.00 0.00 37.83 34.50 1rit s LYS 162 CO 0.05 0.36 -0.07 0.08 -0.92 0.00 0.00 175.35 174.84 1rit s VAL 163 N 0.01 0.88 -0.19 3.17 1.01 0.72 -0.84 120.40 125.15 1rit s VAL 163 Ca -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1rit s VAL 163 Cb -0.14 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1rit s VAL 163 CO 0.03 0.32 -0.08 -0.89 0.00 0.00 0.00 175.10 174.49 1rit s THR 164 N 1.29 3.22 -0.05 3.92 2.01 -0.92 -0.77 115.64 124.35 1rit s THR 164 Ca -0.04 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.45 1rit s THR 164 Cb -0.14 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 1rit s THR 164 CO -0.03 0.47 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.48 1rit s VAL 165 N 1.04 2.59 -0.01 3.82 1.01 0.12 -1.79 120.40 127.18 1rit s VAL 165 Ca 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1rit s VAL 165 Cb -0.15 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.25 1rit s VAL 165 CO -0.01 0.58 -0.08 -0.63 0.00 0.00 0.00 175.10 174.96 1rit s ILE 166 N -0.50 0.64 -0.09 2.22 1.01 -0.67 -1.57 121.20 122.23 1rit s ILE 166 Ca 0.06 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.41 1rit s ILE 166 Cb -0.11 -0.56 0.02 0.00 0.01 0.00 0.00 42.46 41.81 1rit s ILE 166 CO 0.01 0.19 -0.12 -0.47 0.00 0.00 0.00 174.94 174.55 1rit s TYR 167 N -0.01 1.63 -0.26 3.97 5.04 -0.26 -0.62 117.35 126.84 1rit s TYR 167 Ca 0.00 -0.71 -0.15 0.00 -2.44 0.00 0.00 57.07 53.77 1rit s TYR 167 Cb -0.05 -1.22 -0.04 0.00 0.35 0.00 0.00 41.96 41.00 1rit s TYR 167 CO -0.00 -0.40 0.37 0.34 -1.34 0.00 0.00 175.55 174.51 1rit s ASP 168 N 1.03 6.28 0.20 4.32 2.15 -0.86 -2.75 116.67 127.03 1rit s ASP 168 Ca -0.07 0.32 -0.11 0.00 0.43 0.00 0.00 52.55 53.12 1rit s ASP 168 Cb -0.15 -2.21 0.27 0.00 -0.30 0.00 0.00 42.92 40.53 1rit s ASP 168 CO -0.01 -0.15 1.70 0.77 -0.17 0.00 0.00 175.17 177.31 1rit h SER 169 N 8.00 -0.02 0.00 -0.34 4.64 -1.80 -0.95 113.55 123.07 1rit h SER 169 Ca -0.33 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1rit h SER 169 Cb 1.16 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1rit h SER 169 CO 0.66 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.08 1rit n SER 170 N -5.14 0.00 0.00 4.97 3.41 -1.26 -3.93 113.62 111.67 1rit n SER 170 Ca 0.08 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1rit n SER 170 Cb 0.31 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 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 -1.52 1.20 -3.49 6.66 -2.24 -1.25 -4.78 114.28 108.86 1rit n THR 171 Ca 0.00 0.43 -0.25 0.00 -2.27 0.00 0.00 64.05 61.96 1rit n THR 171 Cb 0.00 -1.43 -0.00 0.00 -2.10 0.00 0.00 70.33 66.80 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 -1.28 -3.61 -3.56 -0.78 5.02 -0.37 -4.87 118.16 108.72 1rit n LYS 172 Ca 0.00 0.49 -0.38 0.00 -2.02 0.00 0.00 58.31 56.40 1rit n LYS 172 Cb 0.13 -5.22 -0.11 0.00 -0.02 0.00 0.00 35.03 29.81 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 -3.01 5.29 -0.35 -0.18 2.01 -1.22 -1.22 115.64 116.96 1rit s THR 173 Ca 0.46 0.22 -0.17 0.00 0.31 0.00 0.00 61.69 62.51 1rit s THR 173 Cb -0.24 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 1rit s THR 173 CO 0.56 0.22 0.43 -0.22 -0.69 0.00 0.00 174.62 174.93 1rit s LEU 174 N 1.81 4.41 -0.21 4.42 2.96 0.16 -2.04 118.68 130.19 1rit s LEU 174 Ca 0.08 -0.16 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 1rit s LEU 174 Cb -0.16 -2.45 0.04 0.00 0.50 0.00 0.00 46.19 44.12 1rit s LEU 174 CO 0.11 -0.41 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.13 1rit s SER 175 N 1.75 3.69 0.18 3.68 0.01 0.20 -0.75 113.70 122.47 1rit s SER 175 Ca 0.15 -0.98 0.03 0.00 1.31 0.00 0.00 55.95 56.46 1rit s SER 175 Cb -0.16 -1.48 -0.03 0.00 0.21 0.00 0.00 66.02 64.56 1rit s SER 175 CO 0.12 -0.09 0.32 -0.69 0.41 0.00 0.00 173.24 173.31 1rit s VAL 176 N 1.23 5.30 -0.25 3.43 1.01 -0.19 -1.68 120.40 129.25 1rit s VAL 176 Ca -0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 1rit s VAL 176 Cb -0.16 -3.78 0.13 0.00 0.00 0.00 0.00 36.38 32.57 1rit s VAL 176 CO -0.09 -0.18 0.33 0.00 0.00 0.00 0.00 175.10 175.17 1rit s ALA 177 N -1.83 -0.82 -0.30 5.51 0.00 -0.74 -2.86 121.76 120.72 1rit s ALA 177 Ca 0.35 0.45 -0.17 0.00 0.00 0.00 0.00 51.96 52.59 1rit s ALA 177 Cb -0.10 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.31 1rit s ALA 177 CO 0.29 -1.40 0.46 0.08 0.00 0.00 0.00 175.76 175.18 1rit s VAL 178 N 2.47 5.09 -0.32 0.00 1.01 0.34 -2.16 120.40 126.82 1rit s VAL 178 Ca 0.10 0.52 -0.12 0.00 0.00 0.00 0.00 61.98 62.49 1rit s VAL 178 Cb -0.15 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1rit s VAL 178 CO -0.20 -0.01 0.22 -0.89 0.00 0.00 0.00 175.10 174.22 1rit s THR 179 N 2.24 5.26 0.77 3.92 2.01 -0.02 -0.18 115.64 129.64 1rit s THR 179 Ca 0.18 -0.12 -0.09 0.00 0.31 0.00 0.00 61.69 61.97 1rit s THR 179 Cb -0.16 -3.65 0.09 0.00 0.01 0.00 0.00 72.50 68.80 1rit s THR 179 CO 0.11 0.07 1.10 0.20 -0.69 0.00 0.00 174.62 175.40 1rit s ASN 180 N 1.73 4.47 0.12 3.53 0.01 -0.72 -2.57 114.94 121.51 1rit s ASN 180 Ca 0.06 0.45 -0.19 0.00 -0.71 0.00 0.00 52.86 52.47 1rit s ASN 180 Cb -0.17 -0.95 -0.06 0.00 0.41 0.00 0.00 41.25 40.47 1rit s ASN 180 CO 0.10 -1.85 1.76 -0.78 -1.51 0.00 0.00 177.10 174.83 1rit h ASP 181 N -0.85 0.26 0.31 -1.22 3.58 -1.88 -2.77 116.42 113.84 1rit h ASP 181 Ca -0.44 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 56.97 1rit h ASP 181 Cb 1.30 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.29 1rit h ASP 181 CO 0.57 0.21 -0.06 -0.55 -2.88 0.00 0.00 179.24 176.53 1rit h ASN 182 N 0.28 0.00 0.00 2.28 -0.00 -1.97 -3.47 115.58 112.71 1rit h ASN 182 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.38 1rit h ASN 182 Cb -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.31 1rit h ASN 182 CO -0.02 0.06 0.00 0.61 -0.00 0.00 0.00 177.43 178.08 1rit n GLY 183 N -0.78 3.85 3.40 9.14 0.00 -1.04 -5.12 105.19 114.64 1rit n GLY 183 Ca -0.02 -0.86 -0.44 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.45 -4.44 1.61 9.92 -1.26 -4.43 116.55 116.49 1rit n ASP 184 Ca 0.00 0.98 -0.33 0.00 -0.53 0.00 0.00 54.79 54.92 1rit n ASP 184 Cb 0.00 -1.00 -0.14 0.00 -0.64 0.00 0.00 41.12 39.35 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 -1.32 2.92 -0.06 0.53 -4.36 -1.26 -1.75 121.20 115.89 1rit s ILE 185 Ca 0.62 -0.77 0.02 0.00 -0.26 0.00 0.00 60.65 60.26 1rit s ILE 185 Cb -0.74 -2.13 -0.03 0.00 1.25 0.00 0.00 42.46 40.80 1rit s ILE 185 CO 0.59 0.58 -0.11 -0.89 0.24 0.00 0.00 174.94 175.35 1rit s THR 186 N -0.60 3.31 0.00 8.37 2.01 0.75 -4.94 115.64 124.54 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 -2.32 -0.01 0.00 0.01 0.00 0.00 72.50 70.07 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 -0.72 0.08 0.03 -0.82 -4.23 -1.26 0.13 115.64 108.84 1rit s THR 187 Ca 0.11 -0.66 -0.11 0.00 -1.18 0.00 0.00 61.69 59.86 1rit s THR 187 Cb -0.11 -0.31 0.01 0.00 1.34 0.00 0.00 72.50 73.43 1rit s THR 187 CO 0.01 -0.36 0.23 -0.51 -0.54 0.00 0.00 174.62 173.45 1rit s ILE 188 N -1.17 0.09 -0.01 2.99 2.07 -1.14 -5.01 121.20 119.03 1rit s ILE 188 Ca -0.13 -0.77 -0.14 0.00 -1.41 0.00 0.00 60.65 58.20 1rit s ILE 188 Cb -0.07 -0.82 0.02 0.00 0.13 0.00 0.00 42.46 41.72 1rit s ILE 188 CO 0.00 -0.42 0.30 0.00 -1.91 0.00 0.00 174.94 172.91 1rit s ALA 189 N -2.24 -0.75 -0.15 1.50 0.00 -1.26 -1.02 121.76 117.84 1rit s ALA 189 Ca -0.07 0.28 -0.28 0.00 0.00 0.00 0.00 51.96 51.88 1rit s ALA 189 Cb -0.02 0.09 0.07 0.00 0.00 0.00 0.00 23.12 23.26 1rit s ALA 189 CO -0.02 -0.26 0.72 -1.14 0.00 0.00 0.00 175.76 175.06 1rit s GLN 190 N -1.38 0.93 0.05 0.00 2.00 0.07 -4.97 119.66 116.36 1rit s GLN 190 Ca -0.13 0.56 -0.26 0.00 -2.00 0.00 0.00 55.36 53.53 1rit s GLN 190 Cb -0.05 0.44 -0.05 0.00 0.80 0.00 0.00 33.01 34.15 1rit s GLN 190 CO 0.04 -0.22 0.79 0.08 -0.50 0.00 0.00 175.29 175.48 1rit s VAL 191 N -0.50 4.71 -0.24 1.34 1.01 -1.26 0.36 120.40 125.82 1rit s VAL 191 Ca -0.06 1.69 -0.03 0.00 0.00 0.00 0.00 61.98 63.59 1rit s VAL 191 Cb -0.02 -4.14 0.13 0.00 0.00 0.00 0.00 36.38 32.34 1rit s VAL 191 CO 0.05 0.35 0.35 -0.69 0.00 0.00 0.00 175.10 175.16 1rit s VAL 192 N -0.01 -0.55 -0.57 2.92 1.01 -0.36 -4.94 120.40 117.90 1rit s VAL 192 Ca 0.40 -0.09 -0.27 0.00 0.00 0.00 0.00 61.98 62.02 1rit s VAL 192 Cb -0.21 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1rit s VAL 192 CO 0.24 -0.15 1.84 -0.62 0.00 0.00 0.00 175.10 176.41 1rit s ASP 193 N 2.50 5.38 0.41 3.32 -1.08 -1.26 -4.78 116.67 121.16 1rit s ASP 193 Ca 0.11 0.47 0.08 0.00 -0.52 0.00 0.00 52.55 52.70 1rit s ASP 193 Cb -0.15 -2.53 0.86 0.00 -1.46 0.00 0.00 42.92 39.64 1rit s ASP 193 CO -0.16 -2.26 2.03 -0.07 0.52 0.00 0.00 175.17 175.23 1rit h LEU 194 N 15.94 0.40 -0.30 -1.34 3.38 -1.96 0.11 115.31 131.55 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 1.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1rit h LEU 194 CO 1.19 0.34 0.00 1.17 0.09 0.00 0.00 178.44 181.23 1rit n LYS 195 N -4.44 0.11 -0.09 1.13 4.81 -1.26 -1.48 118.16 116.94 1rit n LYS 195 Ca 0.02 0.30 -0.11 0.00 -0.87 0.00 0.00 58.31 57.65 1rit n LYS 195 Cb 0.10 -1.69 -0.15 0.00 0.02 0.00 0.00 35.03 33.31 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 -1.64 1.49 -0.08 3.14 0.00 -0.03 -4.64 120.51 118.74 1rit n ALA 196 Ca 0.03 -1.24 -0.05 0.00 0.00 0.00 0.00 53.44 52.18 1rit n ALA 196 Cb 0.23 -0.26 -0.15 0.00 0.00 0.00 0.00 19.45 19.27 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 -2.84 0.82 -4.27 0.00 4.76 -0.85 -5.01 118.16 110.77 1rit n LYS 197 Ca -0.32 -0.05 -0.29 0.00 -2.87 0.00 0.00 58.31 54.78 1rit n LYS 197 Cb 1.13 -1.49 -0.11 0.00 -1.84 0.00 0.00 35.03 32.72 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 -5.19 2.85 1.00 -0.35 1.43 -0.55 -4.91 118.68 112.97 1rit s LEU 198 Ca -0.09 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.40 1rit s LEU 198 Cb 0.07 -1.67 0.19 0.00 0.03 0.00 0.00 46.19 44.81 1rit s LEU 198 CO 0.80 0.18 1.10 -2.16 0.23 0.00 0.00 176.35 176.50 1rit s PRO 199 N -2.18 0.38 0.17 1.29 0.04 -1.26 -4.66 135.00 128.79 1rit s PRO 199 Ca 0.19 0.43 -0.17 0.00 0.04 0.00 0.00 61.00 61.50 1rit s PRO 199 Cb -0.11 -1.74 0.11 0.00 0.04 0.00 0.00 34.50 32.81 1rit s PRO 199 CO 0.12 -2.74 1.66 0.93 0.04 0.00 0.00 177.00 177.00 1rit h GLU 200 N -1.90 -0.02 -4.89 4.56 5.08 -1.96 -3.38 114.58 112.08 1rit h GLU 200 Ca -0.54 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.17 1rit h GLU 200 Cb 1.33 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.42 1rit h GLU 200 CO 0.58 -0.01 -0.47 1.03 -1.00 0.00 0.00 179.01 179.14 1rit s ARG 201 N -6.21 3.84 0.37 2.33 0.52 -1.26 -1.19 118.95 117.35 1rit s ARG 201 Ca -0.14 -0.35 0.01 0.00 -0.52 0.00 0.00 55.73 54.73 1rit s ARG 201 Cb 0.15 -3.70 -0.00 0.00 0.52 0.00 0.00 34.95 31.92 1rit s ARG 201 CO 0.71 -0.26 0.03 1.33 0.02 0.00 0.00 175.30 177.13 1rit n VAL 202 N 5.09 0.00 -4.18 3.52 0.24 -0.79 -2.53 118.33 119.68 1rit n VAL 202 Ca -0.13 -1.87 -0.16 0.00 -2.04 0.00 0.00 64.34 60.15 1rit n VAL 202 Cb 0.51 0.46 -0.14 0.00 -1.47 0.00 0.00 33.84 33.20 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 -3.37 0.54 0.02 7.34 1.02 0.28 -1.38 119.74 124.19 1rit s LYS 203 Ca 0.05 -0.40 0.02 0.00 0.02 0.00 0.00 55.97 55.65 1rit s LYS 203 Cb 0.00 -0.46 -0.04 0.00 -0.52 0.00 0.00 37.83 36.81 1rit s LYS 203 CO 0.03 0.12 0.03 -0.06 -0.92 0.00 0.00 175.35 174.55 1rit s PHE 204 N -0.52 3.12 -0.01 3.18 0.08 -1.26 -2.01 117.98 120.56 1rit s PHE 204 Ca -0.01 0.09 -0.17 0.00 0.12 0.00 0.00 56.93 56.96 1rit s PHE 204 Cb -0.05 -1.66 0.06 0.00 -0.57 0.00 0.00 43.02 40.80 1rit s PHE 204 CO 0.00 0.49 0.79 0.41 -0.10 0.00 0.00 175.22 176.81 1rit n GLY 205 N 1.13 0.39 3.21 4.36 0.00 -0.89 -1.14 105.19 112.26 1rit n GLY 205 Ca -0.13 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.47 1.84 0.14 1.61 0.08 -0.53 -1.00 117.98 117.66 1rit s PHE 206 Ca 0.18 -0.38 0.05 0.00 0.12 0.00 0.00 56.93 56.90 1rit s PHE 206 Cb -0.01 -1.19 -0.04 0.00 -0.57 0.00 0.00 43.02 41.21 1rit s PHE 206 CO -0.00 -0.06 -0.10 0.45 -0.10 0.00 0.00 175.22 175.41 1rit s SER 207 N -0.40 1.79 0.31 1.36 0.15 0.66 -0.94 113.70 116.63 1rit s SER 207 Ca 0.06 -0.99 -0.10 0.00 0.70 0.00 0.00 55.95 55.62 1rit s SER 207 Cb -0.09 -0.01 0.01 0.00 -1.71 0.00 0.00 66.02 64.22 1rit s SER 207 CO -0.00 -0.31 0.54 0.00 1.20 0.00 0.00 173.24 174.67 1rit s ALA 208 N -3.20 0.02 0.03 5.45 0.00 -0.06 -1.16 121.76 122.84 1rit s ALA 208 Ca 0.16 -1.08 -0.28 0.00 0.00 0.00 0.00 51.96 50.75 1rit s ALA 208 Cb 0.02 1.02 0.09 0.00 0.00 0.00 0.00 23.12 24.25 1rit s ALA 208 CO 0.01 -0.86 0.88 -1.54 0.00 0.00 0.00 175.76 174.25 1rit s SER 209 N -3.11 -0.35 0.26 0.00 1.04 -1.26 -2.71 113.70 107.58 1rit s SER 209 Ca 0.24 -0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.61 1rit s SER 209 Cb -0.02 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 1rit s SER 209 CO 0.14 -0.69 0.23 -0.83 0.98 0.00 0.00 173.24 173.07 1rit s GLY 210 N -2.57 1.72 0.00 7.32 0.00 -0.61 -0.48 107.32 112.69 1rit s GLY 210 Ca 0.06 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 43.01 1rit s GLY 210 CO -0.07 -1.35 0.00 -1.14 0.00 0.00 0.00 173.10 170.54 1rit n SER 211 N -0.84 1.45 -0.04 1.64 3.41 0.17 -3.83 113.62 115.58 1rit n SER 211 Ca 0.04 -0.72 -0.15 0.00 -0.26 0.00 0.00 58.87 57.78 1rit n SER 211 Cb 0.64 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.53 -0.34 1.04 6.46 -1.80 -3.27 115.31 117.93 1rit h LEU 212 Ca 0.00 -0.62 0.00 0.00 -0.12 0.00 0.00 57.88 57.14 1rit h LEU 212 Cb 0.00 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 39.77 1rit h LEU 212 CO 0.00 1.06 -0.64 0.61 -0.62 0.00 0.00 178.44 178.86 1rit n GLY 213 N 0.63 -0.37 3.30 3.75 0.00 -1.26 -4.90 105.19 106.33 1rit n GLY 213 Ca -0.08 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.38 1.65 0.04 -0.02 0.00 -1.25 -2.05 107.32 103.30 1rit s GLY 214 Ca 0.09 -1.27 -0.19 0.00 0.00 0.00 0.00 44.72 43.36 1rit s GLY 214 CO 0.60 0.49 0.43 0.50 0.00 0.00 0.00 173.10 175.12 1rit s ARG 215 N 1.46 0.94 -0.00 2.90 0.52 0.62 0.41 118.95 125.80 1rit s ARG 215 Ca 0.04 -0.33 -0.30 0.00 -0.52 0.00 0.00 55.73 54.62 1rit s ARG 215 Cb -0.15 0.42 0.12 0.00 0.52 0.00 0.00 34.95 35.86 1rit s ARG 215 CO -0.02 -0.33 1.26 1.14 0.02 0.00 0.00 175.30 177.37 1rit s GLN 216 N -2.45 0.46 0.09 3.54 -2.07 -1.21 -4.06 119.66 113.96 1rit s GLN 216 Ca -0.05 -0.25 -0.22 0.00 -1.82 0.00 0.00 55.36 53.01 1rit s GLN 216 Cb -0.01 0.16 -0.07 0.00 -1.09 0.00 0.00 33.01 32.00 1rit s GLN 216 CO -0.02 -0.21 0.67 0.42 -1.32 0.00 0.00 175.29 174.83 1rit s ILE 217 N -2.49 4.63 -0.31 3.63 1.01 -0.90 -4.82 121.20 121.94 1rit s ILE 217 Ca 0.14 1.44 0.02 0.00 0.00 0.00 0.00 60.65 62.25 1rit s ILE 217 Cb 0.04 -4.01 0.09 0.00 0.01 0.00 0.00 42.46 38.59 1rit s ILE 217 CO -0.03 0.50 0.03 -1.00 0.00 0.00 0.00 174.94 174.44 1rit s HIS 218 N -0.87 3.03 -0.22 3.97 3.76 -1.26 -3.20 115.29 120.49 1rit s HIS 218 Ca 0.33 -2.46 -0.06 0.00 -0.15 0.00 0.00 55.06 52.72 1rit s HIS 218 Cb -0.21 -2.35 -0.03 0.00 1.11 0.00 0.00 32.58 31.11 1rit s HIS 218 CO 0.22 -0.90 0.03 -0.51 -0.85 0.00 0.00 174.74 172.73 1rit s LEU 219 N 1.16 3.35 -0.48 0.89 1.43 0.20 -0.54 118.68 124.69 1rit s LEU 219 Ca 0.06 -0.19 -0.15 0.00 -1.03 0.00 0.00 54.13 52.82 1rit s LEU 219 Cb -0.19 -1.87 0.08 0.00 0.03 0.00 0.00 46.19 44.25 1rit s LEU 219 CO -0.12 0.03 0.39 -0.63 0.23 0.00 0.00 176.35 176.26 1rit s ILE 220 N 1.22 5.08 0.01 -0.59 -1.09 -0.44 -0.72 121.20 124.68 1rit s ILE 220 Ca 0.04 -1.18 -0.15 0.00 -2.23 0.00 0.00 60.65 57.13 1rit s ILE 220 Cb -0.15 -4.08 -0.35 0.00 -1.58 0.00 0.00 42.46 36.31 1rit s ILE 220 CO 0.02 -0.62 0.93 0.03 -1.23 0.00 0.00 174.94 174.08 1rit h ARG 221 N 8.72 0.51 -3.31 2.79 3.08 -1.36 -2.71 114.38 122.11 1rit h ARG 221 Ca -0.28 -0.87 -0.04 0.00 0.07 0.00 0.00 59.98 58.87 1rit h ARG 221 Cb 1.10 0.32 -0.12 0.00 0.08 0.00 0.00 29.97 31.36 1rit h ARG 221 CO 0.89 1.41 0.01 -1.54 -1.07 0.00 0.00 179.97 179.67 1rit s SER 222 N -7.52 -0.30 -0.24 7.04 1.04 -1.14 -4.37 113.70 108.21 1rit s SER 222 Ca -0.10 -0.33 -0.14 0.00 0.48 0.00 0.00 55.95 55.86 1rit s SER 222 Cb 0.04 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.77 1rit s SER 222 CO 0.93 -0.94 0.60 0.86 0.98 0.00 0.00 173.24 175.67 1rit s TRP 223 N -3.82 -0.91 -0.05 5.02 -0.00 -0.16 -1.96 118.94 117.07 1rit s TRP 223 Ca 0.05 1.86 0.01 0.00 -0.00 0.00 0.00 56.10 58.01 1rit s TRP 223 Cb 0.00 0.51 0.02 0.00 -0.00 0.00 0.00 33.47 34.01 1rit s TRP 223 CO -0.09 -0.47 -0.03 -1.54 -0.00 0.00 0.00 176.95 174.82 1rit s SER 224 N 1.53 0.96 0.03 5.86 1.04 -0.44 0.74 113.70 123.41 1rit s SER 224 Ca -0.10 -0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.25 1rit s SER 224 Cb -0.06 -0.42 -0.02 0.00 0.10 0.00 0.00 66.02 65.62 1rit s SER 224 CO -0.17 -0.08 -0.09 0.12 0.98 0.00 0.00 173.24 174.01 1rit s PHE 225 N 1.06 0.75 -0.18 5.02 2.19 -1.04 -1.01 117.98 124.76 1rit s PHE 225 Ca -0.09 -0.35 -0.09 0.00 0.33 0.00 0.00 56.93 56.73 1rit s PHE 225 Cb -0.14 -0.45 0.07 0.00 -1.31 0.00 0.00 43.02 41.19 1rit s PHE 225 CO -0.01 -0.03 0.42 0.99 1.83 0.00 0.00 175.22 178.41 1rit s THR 226 N -0.92 -0.19 0.01 0.12 2.01 -0.85 -1.87 115.64 113.96 1rit s THR 226 Ca -0.04 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.10 1rit s THR 226 Cb -0.07 -0.63 -0.01 0.00 0.01 0.00 0.00 72.50 71.80 1rit s THR 226 CO 0.00 0.05 -0.09 -0.94 -0.69 0.00 0.00 174.62 172.95 1rit s SER 227 N 1.74 1.09 -0.06 3.53 1.04 -0.09 0.55 113.70 121.49 1rit s SER 227 Ca -0.07 -0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.08 1rit s SER 227 Cb -0.09 -0.08 0.02 0.00 0.10 0.00 0.00 66.02 65.97 1rit s SER 227 CO -0.13 0.04 -0.05 -0.89 0.98 0.00 0.00 173.24 173.19 1rit s THR 228 N -0.53 0.66 -0.33 2.02 2.01 -0.24 -0.94 115.64 118.30 1rit s THR 228 Ca 0.01 -0.15 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 1rit s THR 228 Cb -0.05 -0.69 0.05 0.00 0.01 0.00 0.00 72.50 71.81 1rit s THR 228 CO 0.00 0.27 0.07 -0.22 -0.69 0.00 0.00 174.62 174.05 1rit s LEU 229 N 1.19 4.23 0.12 4.42 2.96 0.17 -2.43 118.68 129.35 1rit s LEU 229 Ca -0.06 -1.28 -0.31 0.00 -0.22 0.00 0.00 54.13 52.26 1rit s LEU 229 Cb -0.14 -1.80 -0.08 0.00 0.50 0.00 0.00 46.19 44.68 1rit s LEU 229 CO -0.02 -0.32 1.33 -0.63 -1.32 0.00 0.00 176.35 175.40 1rit s ILE 230 N 1.32 3.43 -0.31 6.68 1.01 -1.26 -1.90 121.20 130.16 1rit s ILE 230 Ca -0.02 1.06 -0.00 0.00 0.00 0.00 0.00 60.65 61.68 1rit s ILE 230 Cb -0.20 -3.68 0.13 0.00 0.01 0.00 0.00 42.46 38.73 1rit s ILE 230 CO 0.00 0.10 0.28 0.42 0.00 0.00 0.00 174.94 175.74 1rit s THR 231 N 0.90 -0.28 0.00 2.92 -4.23 -1.26 -4.83 115.64 108.87 1rit s THR 231 Ca 0.62 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 1rit s THR 231 Cb -0.35 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.56 1rit s THR 231 CO 0.31 -0.59 0.00 1.07 -0.54 0.00 0.00 174.62 174.87