#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rit s GLU 2 N 0.00 2.21 -0.12 0.00 2.12 0.49 -4.95 118.70 118.46 1rit s GLU 2 Ca 0.00 -1.61 -0.02 0.00 0.36 0.00 0.00 54.97 53.70 1rit s GLU 2 Cb 0.00 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 1rit s GLU 2 CO 0.00 -0.93 -0.03 0.99 -0.54 0.00 0.00 175.26 174.75 1rit s THR 3 N 1.22 3.99 -0.10 -1.70 2.01 -1.26 -1.01 115.64 118.79 1rit s THR 3 Ca 0.04 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 61.73 1rit s THR 3 Cb -0.22 -2.70 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 1rit s THR 3 CO -0.02 0.55 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.55 1rit s VAL 4 N -0.23 2.34 -0.13 3.82 1.01 0.69 -4.96 120.40 122.93 1rit s VAL 4 Ca 0.04 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 1rit s VAL 4 Cb -0.13 -1.91 0.06 0.00 0.00 0.00 0.00 36.38 34.40 1rit s VAL 4 CO 0.02 0.55 0.58 -0.94 0.00 0.00 0.00 175.10 175.32 1rit s SER 5 N 0.21 -0.57 0.23 3.32 1.04 -1.26 0.82 113.70 117.50 1rit s SER 5 Ca -0.13 0.86 -0.16 0.00 0.48 0.00 0.00 55.95 57.01 1rit s SER 5 Cb -0.16 0.85 0.01 0.00 0.10 0.00 0.00 66.02 66.82 1rit s SER 5 CO 0.07 -0.38 0.53 0.72 0.98 0.00 0.00 173.24 175.16 1rit s PHE 6 N -0.45 0.08 -0.20 5.02 -0.12 -0.38 -4.98 117.98 116.95 1rit s PHE 6 Ca -0.06 -0.46 -0.08 0.00 -0.05 0.00 0.00 56.93 56.28 1rit s PHE 6 Cb -0.03 0.35 0.08 0.00 -0.63 0.00 0.00 43.02 42.80 1rit s PHE 6 CO 0.04 -1.00 0.45 1.21 -0.05 0.00 0.00 175.22 175.87 1rit s ASN 7 N -2.94 -0.44 -0.30 1.98 2.47 -1.26 -1.17 114.94 113.27 1rit s ASN 7 Ca 0.15 1.05 0.00 0.00 0.42 0.00 0.00 52.86 54.48 1rit s ASN 7 Cb -0.02 1.28 0.06 0.00 -1.45 0.00 0.00 41.25 41.12 1rit s ASN 7 CO 0.04 -0.22 -0.01 -0.36 -3.72 0.00 0.00 177.10 172.83 1rit s PHE 8 N 2.25 3.35 -0.66 0.43 0.08 0.27 -4.92 117.98 118.78 1rit s PHE 8 Ca -0.05 -2.16 0.24 0.00 0.12 0.00 0.00 56.93 55.09 1rit s PHE 8 Cb -0.11 -2.25 0.41 0.00 -0.57 0.00 0.00 43.02 40.51 1rit s PHE 8 CO -0.14 -0.86 1.38 0.09 -0.10 0.00 0.00 175.22 175.60 1rit n ASN 9 N 4.53 0.71 -3.58 1.36 3.02 -1.26 -1.21 115.26 118.83 1rit n ASN 9 Ca -0.11 0.17 -0.08 0.00 -0.03 0.00 0.00 54.58 54.54 1rit n ASN 9 Cb 0.43 0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.61 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 -4.22 -0.34 0.39 6.41 1.04 -1.26 -4.71 113.70 111.00 1rit s SER 10 Ca 0.07 -0.15 0.05 0.00 0.48 0.00 0.00 55.95 56.40 1rit s SER 10 Cb 0.13 0.47 -0.06 0.00 0.10 0.00 0.00 66.02 66.67 1rit s SER 10 CO 0.70 -0.81 0.04 -0.36 0.98 0.00 0.00 173.24 173.80 1rit s PHE 11 N -3.33 2.14 -0.25 5.02 0.08 -0.13 -5.05 117.98 116.45 1rit s PHE 11 Ca 0.07 -0.89 -0.20 0.00 0.12 0.00 0.00 56.93 56.03 1rit s PHE 11 Cb -0.01 -1.50 0.07 0.00 -0.57 0.00 0.00 43.02 41.00 1rit s PHE 11 CO -0.06 0.17 0.65 -1.54 -0.10 0.00 0.00 175.22 174.34 1rit s SER 12 N -3.64 -0.75 0.00 1.36 1.04 -1.26 -4.50 113.70 105.95 1rit s SER 12 Ca 0.30 1.35 0.00 0.00 0.48 0.00 0.00 55.95 58.08 1rit s SER 12 Cb 0.07 1.31 0.00 0.00 0.10 0.00 0.00 66.02 67.51 1rit s SER 12 CO 0.15 -0.23 0.80 -1.84 0.98 0.00 0.00 173.24 173.09 1rit n GLU 13 N 3.29 0.81 0.00 4.02 0.28 -1.26 -2.57 120.64 125.20 1rit n GLU 13 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 1rit n GLU 13 Cb 0.56 -1.10 0.00 0.00 1.43 0.00 0.00 31.44 32.33 1rit n GLU 13 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1rit n GLY 14 N 0.59 -0.73 3.62 -1.84 0.00 -1.26 -5.04 105.19 100.52 1rit n GLY 14 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.19 6.74 0.58 1.61 3.04 -1.06 -4.93 114.94 120.72 1rit s ASN 15 Ca 0.00 0.73 0.28 0.00 0.04 0.00 0.00 52.86 53.91 1rit s ASN 15 Cb 0.00 -2.47 1.53 0.00 -1.54 0.00 0.00 41.25 38.77 1rit s ASN 15 CO 0.00 -0.79 2.00 1.55 -3.04 0.00 0.00 177.10 176.82 1rit h PRO 16 N 8.26 0.00 0.00 0.43 0.13 -1.96 -2.19 132.00 136.67 1rit h PRO 16 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1rit h PRO 16 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1rit h PRO 16 CO 0.97 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.74 1rit n ALA 17 N -2.41 1.61 -2.67 -0.56 0.00 -1.26 -4.64 120.51 110.58 1rit n ALA 17 Ca 0.06 0.07 -0.32 0.00 0.00 0.00 0.00 53.44 53.24 1rit n ALA 17 Cb 0.52 -1.35 -0.15 0.00 0.00 0.00 0.00 19.45 18.47 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 -3.27 2.56 -0.19 0.00 -1.09 -0.82 0.18 121.20 118.57 1rit s ILE 18 Ca 0.04 -0.89 -0.06 0.00 -2.23 0.00 0.00 60.65 57.51 1rit s ILE 18 Cb 0.09 -1.98 -0.03 0.00 -1.58 0.00 0.00 42.46 38.95 1rit s ILE 18 CO 0.35 0.57 0.03 0.20 -1.23 0.00 0.00 174.94 174.86 1rit s ASN 19 N -0.30 5.23 -0.15 3.58 0.02 0.12 -4.76 114.94 118.68 1rit s ASN 19 Ca 0.01 -0.07 -0.05 0.00 -1.02 0.00 0.00 52.86 51.74 1rit s ASN 19 Cb -0.13 -1.90 -0.03 0.00 0.02 0.00 0.00 41.25 39.21 1rit s ASN 19 CO 0.03 0.11 0.00 -0.36 0.02 0.00 0.00 177.10 176.90 1rit s PHE 20 N 0.74 3.12 0.02 2.20 0.40 -1.26 -1.42 117.98 121.77 1rit s PHE 20 Ca 0.02 -0.11 0.04 0.00 -0.60 0.00 0.00 56.93 56.28 1rit s PHE 20 Cb -0.14 -1.97 -0.02 0.00 0.51 0.00 0.00 43.02 41.40 1rit s PHE 20 CO 0.02 0.10 -0.12 -0.65 0.70 0.00 0.00 175.22 175.27 1rit s GLN 21 N 0.19 0.83 1.37 0.44 -0.21 0.06 -5.00 119.66 117.34 1rit s GLN 21 Ca 0.01 -0.60 0.00 0.00 0.02 0.00 0.00 55.36 54.79 1rit s GLN 21 Cb -0.13 -0.79 0.00 0.00 1.00 0.00 0.00 33.01 33.08 1rit s GLN 21 CO 0.02 0.20 0.00 0.41 -2.12 0.00 0.00 175.29 173.80 1rit n GLY 22 N 2.22 -1.72 0.33 3.09 0.00 -1.26 0.24 105.19 108.09 1rit n GLY 22 Ca -0.17 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 0.07 0.14 -4.59 1.61 8.00 0.80 -4.80 116.55 117.78 1rit n ASP 23 Ca 0.00 -0.42 -0.36 0.00 0.71 0.00 0.00 54.79 54.72 1rit n ASP 23 Cb 0.00 -0.07 0.08 0.00 -0.02 0.00 0.00 41.12 41.11 1rit n ASP 23 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1rit n VAL 24 N 0.09 2.60 -3.63 2.53 0.31 -1.19 -4.24 118.33 114.81 1rit n VAL 24 Ca 0.00 -0.37 -0.11 0.00 -0.01 0.00 0.00 64.34 63.85 1rit n VAL 24 Cb 0.04 -1.04 -0.07 0.00 -0.91 0.00 0.00 33.84 31.86 1rit n VAL 24 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1rit s THR 25 N -1.84 0.00 -0.23 2.52 -1.32 -0.85 -5.01 115.64 108.90 1rit s THR 25 Ca 0.72 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 61.10 1rit s THR 25 Cb -0.34 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.60 1rit s THR 25 CO 0.52 0.00 0.15 -0.69 -2.21 0.00 0.00 174.62 172.38 1rit s VAL 26 N 0.14 5.28 0.83 5.08 1.01 -1.26 0.13 120.40 131.60 1rit s VAL 26 Ca 0.02 0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 1rit s VAL 26 Cb -0.05 -3.45 0.09 0.00 0.00 0.00 0.00 36.38 32.97 1rit s VAL 26 CO -0.04 0.36 1.13 -0.76 0.00 0.00 0.00 175.10 175.80 1rit s LEU 27 N 0.97 2.42 0.57 3.92 1.43 -0.32 -4.95 118.68 122.72 1rit s LEU 27 Ca 0.07 1.03 0.35 0.00 -1.03 0.00 0.00 54.13 54.55 1rit s LEU 27 Cb -0.13 -3.54 1.68 0.00 0.03 0.00 0.00 46.19 44.22 1rit s LEU 27 CO 0.04 -2.06 2.12 0.77 0.23 0.00 0.00 176.35 177.44 1rit h SER 28 N -1.16 0.00 -0.04 2.29 4.64 -1.98 -2.31 113.55 114.99 1rit h SER 28 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1rit h SER 28 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1rit h SER 28 CO 0.63 0.04 0.00 -0.46 -0.87 0.00 0.00 176.83 176.17 1rit n ASN 29 N -3.26 1.62 0.00 4.97 0.23 -1.26 -4.93 115.26 112.63 1rit n ASN 29 Ca -0.01 -1.56 0.00 0.00 -0.53 0.00 0.00 54.58 52.48 1rit n ASN 29 Cb 0.22 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 1rit n ASN 29 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rit n GLY 30 N 1.18 0.63 3.89 4.83 0.00 -0.87 -4.91 105.19 109.94 1rit n GLY 30 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.97 6.27 -0.21 1.61 0.02 -1.26 -0.95 114.94 117.45 1rit s ASN 31 Ca 0.00 1.16 -0.04 0.00 -1.02 0.00 0.00 52.86 52.96 1rit s ASN 31 Cb 0.00 -2.35 -0.02 0.00 0.02 0.00 0.00 41.25 38.90 1rit s ASN 31 CO 0.00 -0.69 -0.02 -0.63 0.02 0.00 0.00 177.10 175.78 1rit s ILE 32 N -2.90 3.64 -0.53 0.60 1.01 -1.01 -1.17 121.20 120.84 1rit s ILE 32 Ca 0.51 -0.41 -0.17 0.00 0.00 0.00 0.00 60.65 60.59 1rit s ILE 32 Cb -0.11 -2.66 0.10 0.00 0.01 0.00 0.00 42.46 39.81 1rit s ILE 32 CO 0.47 0.42 0.52 -1.58 0.00 0.00 0.00 174.94 174.77 1rit s GLN 33 N 1.32 3.01 0.22 2.79 0.74 0.12 -1.97 119.66 125.89 1rit s GLN 33 Ca 0.04 -1.47 -0.08 0.00 0.05 0.00 0.00 55.36 53.90 1rit s GLN 33 Cb -0.14 -4.23 0.22 0.00 1.10 0.00 0.00 33.01 29.96 1rit s GLN 33 CO -0.01 -1.27 1.87 -0.07 -0.55 0.00 0.00 175.29 175.26 1rit h LEU 34 N 9.12 0.87 -9.28 3.68 3.38 -1.65 -2.27 115.31 119.16 1rit h LEU 34 Ca -0.29 -0.01 -0.61 0.00 0.09 0.00 0.00 57.88 57.06 1rit h LEU 34 Cb 1.10 -0.20 -0.14 0.00 0.09 0.00 0.00 40.66 41.51 1rit h LEU 34 CO 1.00 0.61 -0.74 0.42 0.09 0.00 0.00 178.44 179.82 1rit s THR 35 N -6.11 2.78 -0.28 0.22 -4.23 -1.26 -2.67 115.64 104.09 1rit s THR 35 Ca -0.13 -2.14 -0.21 0.00 -1.18 0.00 0.00 61.69 58.04 1rit s THR 35 Cb 0.16 -2.44 -0.01 0.00 1.34 0.00 0.00 72.50 71.55 1rit s THR 35 CO 0.79 -0.31 0.65 0.21 -0.54 0.00 0.00 174.62 175.41 1rit s ASN 36 N -3.33 6.56 0.24 3.99 3.84 -1.26 -4.86 114.94 120.13 1rit s ASN 36 Ca 0.28 0.61 -0.05 0.00 0.21 0.00 0.00 52.86 53.92 1rit s ASN 36 Cb -0.06 -2.34 0.38 0.00 -0.55 0.00 0.00 41.25 38.67 1rit s ASN 36 CO 0.15 -0.43 1.80 -0.07 -2.79 0.00 0.00 177.10 175.76 1rit h LEU 37 N 9.06 0.61 -4.82 3.21 4.07 -1.96 -3.06 115.31 122.42 1rit h LEU 37 Ca -0.26 0.05 -0.69 0.00 0.08 0.00 0.00 57.88 57.06 1rit h LEU 37 Cb 1.12 -0.06 -0.34 0.00 1.08 0.00 0.00 40.66 42.46 1rit h LEU 37 CO 0.79 0.35 0.28 -0.46 -1.08 0.00 0.00 178.44 178.32 1rit n ASN 38 N -4.78 6.30 -3.98 -0.43 0.23 -1.26 -4.95 115.26 106.39 1rit n ASN 38 Ca 0.13 -3.78 -0.18 0.00 -0.53 0.00 0.00 54.58 50.21 1rit n ASN 38 Cb 0.27 -0.81 -0.15 0.00 -2.08 0.00 0.00 39.78 37.02 1rit n ASN 38 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1rit s LYS 39 N -3.85 0.68 -0.02 -3.83 2.20 -1.16 -5.13 119.74 108.64 1rit s LYS 39 Ca 0.50 -0.24 -0.27 0.00 -0.36 0.00 0.00 55.97 55.60 1rit s LYS 39 Cb 0.42 -0.66 -0.04 0.00 -1.51 0.00 0.00 37.83 36.04 1rit s LYS 39 CO -0.31 0.11 0.85 0.08 -0.36 0.00 0.00 175.35 175.72 1rit s VAL 40 N 0.07 4.92 -1.27 4.02 1.01 -1.26 -3.72 120.40 124.16 1rit s VAL 40 Ca -0.01 1.79 -0.03 0.00 0.00 0.00 0.00 61.98 63.73 1rit s VAL 40 Cb -0.06 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.13 1rit s VAL 40 CO -0.00 0.22 1.02 0.59 0.00 0.00 0.00 175.10 176.93 1rit n ASN 41 N 3.73 -3.34 -4.76 3.32 5.03 -1.22 -4.95 115.26 113.08 1rit n ASN 41 Ca 0.02 -0.63 -0.38 0.00 0.87 0.00 0.00 54.58 54.46 1rit n ASN 41 Cb 0.51 -4.93 0.00 0.00 -1.02 0.00 0.00 39.78 34.35 1rit n ASN 41 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1rit s SER 42 N -4.01 6.02 -0.15 6.41 0.15 -1.19 -4.58 113.70 116.35 1rit s SER 42 Ca 0.20 2.57 -0.06 0.00 0.70 0.00 0.00 55.95 59.36 1rit s SER 42 Cb -0.09 -2.63 0.07 0.00 -1.71 0.00 0.00 66.02 61.66 1rit s SER 42 CO 0.74 -1.04 0.33 -0.69 1.20 0.00 0.00 173.24 173.79 1rit s VAL 43 N -1.36 -0.38 0.05 4.45 1.01 -1.26 -2.58 120.40 120.32 1rit s VAL 43 Ca 0.62 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.86 1rit s VAL 43 Cb -0.36 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 1rit s VAL 43 CO 0.44 0.08 -0.16 -0.83 0.00 0.00 0.00 175.10 174.63 1rit s GLY 44 N 2.17 0.90 -0.01 4.51 0.00 -0.92 -0.14 107.32 113.83 1rit s GLY 44 Ca -0.03 -0.92 -0.08 0.00 0.00 0.00 0.00 44.72 43.69 1rit s GLY 44 CO -0.11 -0.89 0.16 0.50 0.00 0.00 0.00 173.10 172.76 1rit s ARG 45 N -1.24 0.48 -0.02 2.90 0.52 0.14 -2.10 118.95 119.63 1rit s ARG 45 Ca 0.03 -0.32 -0.00 0.00 -0.52 0.00 0.00 55.73 54.92 1rit s ARG 45 Cb -0.08 0.20 0.03 0.00 0.52 0.00 0.00 34.95 35.62 1rit s ARG 45 CO 0.02 -0.11 0.04 0.54 0.02 0.00 0.00 175.30 175.80 1rit s VAL 46 N -1.25 -0.06 0.04 3.52 0.11 0.39 -0.76 120.40 122.39 1rit s VAL 46 Ca -0.13 0.21 0.05 0.00 -2.93 0.00 0.00 61.98 59.17 1rit s VAL 46 Cb -0.07 -0.09 -0.02 0.00 -1.53 0.00 0.00 36.38 34.67 1rit s VAL 46 CO 0.02 0.09 -0.13 -0.76 -3.33 0.00 0.00 175.10 170.98 1rit s LEU 47 N 1.05 2.19 -0.02 2.54 1.43 -0.51 -0.62 118.68 124.74 1rit s LEU 47 Ca -0.09 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.24 1rit s LEU 47 Cb -0.12 -0.55 -0.06 0.00 0.03 0.00 0.00 46.19 45.49 1rit s LEU 47 CO -0.03 0.00 1.49 -0.47 0.23 0.00 0.00 176.35 177.57 1rit s TYR 48 N -0.92 2.57 0.25 0.29 5.04 -1.03 0.15 117.35 123.71 1rit s TYR 48 Ca 0.00 0.61 -0.06 0.00 -2.44 0.00 0.00 57.07 55.17 1rit s TYR 48 Cb -0.08 -3.76 0.45 0.00 0.35 0.00 0.00 41.96 38.92 1rit s TYR 48 CO 0.01 -2.94 1.64 0.00 -1.34 0.00 0.00 175.55 172.92 1rit h ALA 49 N 8.35 0.82 -2.53 3.97 0.00 0.17 -3.42 119.26 126.63 1rit h ALA 49 Ca -0.38 0.23 -0.52 0.00 0.00 0.00 0.00 54.91 54.23 1rit h ALA 49 Cb 1.17 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1rit h ALA 49 CO 0.93 -0.41 0.38 1.41 0.00 0.00 0.00 179.25 181.55 1rit s MET 50 N -6.10 4.64 -0.01 0.00 0.00 -1.26 -5.00 119.30 111.58 1rit s MET 50 Ca -0.13 1.47 -0.30 0.00 0.00 0.00 0.00 55.69 56.73 1rit s MET 50 Cb 0.22 -3.39 -0.03 0.00 0.00 0.00 0.00 34.83 31.62 1rit s MET 50 CO 0.75 0.12 1.07 -2.14 0.00 0.00 0.00 175.02 174.82 1rit s PRO 51 N 0.29 4.48 -0.26 4.11 0.02 -1.26 -4.88 135.00 137.50 1rit s PRO 51 Ca 0.49 1.53 -0.13 0.00 0.02 0.00 0.00 61.00 62.91 1rit s PRO 51 Cb -0.23 -3.45 -0.04 0.00 0.02 0.00 0.00 34.50 30.79 1rit s PRO 51 CO 0.30 -0.19 0.30 0.08 -0.33 0.00 0.00 177.00 177.15 1rit s VAL 52 N 1.31 5.24 -0.72 3.83 1.01 -1.02 -4.87 120.40 125.19 1rit s VAL 52 Ca 0.54 0.42 -0.27 0.00 0.00 0.00 0.00 61.98 62.67 1rit s VAL 52 Cb -0.23 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1rit s VAL 52 CO 0.26 0.22 1.51 -0.60 0.00 0.00 0.00 175.10 176.49 1rit s ARG 53 N 1.77 2.99 0.37 2.72 3.52 -1.26 -2.77 118.95 126.30 1rit s ARG 53 Ca 0.12 0.01 0.20 0.00 -0.13 0.00 0.00 55.73 55.93 1rit s ARG 53 Cb -0.15 -4.34 0.23 0.00 -1.56 0.00 0.00 34.95 29.12 1rit s ARG 53 CO 0.09 -2.40 1.51 -0.84 -0.81 0.00 0.00 175.30 172.86 1rit h ILE 54 N 6.41 0.29 -3.28 4.11 3.07 -1.51 -3.46 117.51 123.14 1rit h ILE 54 Ca -0.24 -1.42 -0.09 0.00 1.55 0.00 0.00 64.86 64.67 1rit h ILE 54 Cb 1.09 2.12 -0.17 0.00 -0.27 0.00 0.00 36.82 39.59 1rit h ILE 54 CO 1.26 0.17 -0.23 -1.66 -1.05 0.00 0.00 178.15 176.64 1rit s TRP 55 N -3.13 -0.12 -0.25 0.16 1.48 -1.24 0.12 118.94 115.95 1rit s TRP 55 Ca 0.05 -0.01 -0.04 0.00 -1.06 0.00 0.00 56.10 55.05 1rit s TRP 55 Cb 0.06 0.11 0.01 0.00 -1.16 0.00 0.00 33.47 32.49 1rit s TRP 55 CO 0.70 -0.52 -0.01 0.45 -4.06 0.00 0.00 176.95 173.52 1rit s SER 56 N -2.09 4.57 0.55 -2.66 0.15 -0.65 -4.68 113.70 108.90 1rit s SER 56 Ca -0.05 -0.66 0.37 0.00 0.70 0.00 0.00 55.95 56.31 1rit s SER 56 Cb -0.01 -1.76 1.93 0.00 -1.71 0.00 0.00 66.02 64.48 1rit s SER 56 CO -0.04 -0.11 2.13 0.77 1.20 0.00 0.00 173.24 177.19 1rit h SER 57 N 8.12 0.00 0.00 5.45 4.64 -1.97 0.19 113.55 129.98 1rit h SER 57 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1rit h SER 57 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1rit h SER 57 CO 0.59 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.55 1rit n ALA 58 N -2.00 -0.07 0.06 5.18 0.00 -1.26 -4.46 120.51 117.96 1rit n ALA 58 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.37 1rit n ALA 58 Cb 0.10 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.69 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 0.00 1.34 0.00 0.00 1.35 -1.96 -3.47 112.91 110.18 1rit h THR 59 Ca 0.00 -1.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.08 1rit h THR 59 Cb 0.00 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1rit h THR 59 CO 0.00 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1rit n GLY 60 N 0.11 0.81 3.88 5.82 0.00 0.66 -5.06 105.19 111.41 1rit n GLY 60 Ca -0.02 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 6.44 0.03 1.61 0.02 -1.24 -4.90 114.94 114.89 1rit s ASN 61 Ca 0.00 1.15 0.05 0.00 -1.02 0.00 0.00 52.86 53.04 1rit s ASN 61 Cb 0.00 -2.34 -0.02 0.00 0.02 0.00 0.00 41.25 38.92 1rit s ASN 61 CO 0.00 -0.51 -0.14 -0.69 0.02 0.00 0.00 177.10 175.78 1rit s VAL 62 N -2.57 1.12 0.49 1.60 1.01 -1.26 -1.64 120.40 119.14 1rit s VAL 62 Ca 0.51 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 1rit s VAL 62 Cb -0.10 -0.99 -0.06 0.00 0.00 0.00 0.00 36.38 35.22 1rit s VAL 62 CO 0.37 0.09 0.88 0.00 0.00 0.00 0.00 175.10 176.44 1rit s ALA 63 N -0.71 3.23 -0.00 5.51 0.00 0.32 -4.73 121.76 125.38 1rit s ALA 63 Ca 0.03 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 51.92 1rit s ALA 63 Cb -0.07 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 1rit s ALA 63 CO 0.01 -0.24 -0.08 -1.12 0.00 0.00 0.00 175.76 174.32 1rit s SER 64 N -3.43 4.50 0.02 0.00 0.01 -0.93 -4.39 113.70 109.47 1rit s SER 64 Ca 0.54 -0.16 -0.05 0.00 1.31 0.00 0.00 55.95 57.58 1rit s SER 64 Cb -0.10 -1.02 -0.01 0.00 0.21 0.00 0.00 66.02 65.10 1rit s SER 64 CO 0.37 0.29 0.09 0.72 0.41 0.00 0.00 173.24 175.12 1rit s PHE 65 N -0.95 0.14 -0.09 2.43 -0.12 -1.00 -0.86 117.98 117.54 1rit s PHE 65 Ca 0.16 -0.33 -0.01 0.00 -0.05 0.00 0.00 56.93 56.70 1rit s PHE 65 Cb -0.11 -0.11 0.03 0.00 -0.63 0.00 0.00 43.02 42.20 1rit s PHE 65 CO 0.06 -0.29 -0.03 -1.17 -0.05 0.00 0.00 175.22 173.73 1rit s LEU 66 N -1.64 0.88 0.08 -1.99 2.96 -0.72 -0.95 118.68 117.31 1rit s LEU 66 Ca -0.12 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 1rit s LEU 66 Cb -0.06 -0.62 -0.04 0.00 0.50 0.00 0.00 46.19 45.97 1rit s LEU 66 CO -0.01 -0.15 -0.05 0.28 -1.32 0.00 0.00 176.35 175.10 1rit s THR 67 N 1.80 0.50 -0.20 3.68 -1.32 -1.10 -2.48 115.64 116.51 1rit s THR 67 Ca 0.04 -1.86 -0.18 0.00 -1.21 0.00 0.00 61.69 58.47 1rit s THR 67 Cb -0.12 -1.59 0.05 0.00 -1.51 0.00 0.00 72.50 69.33 1rit s THR 67 CO -0.06 -0.91 0.54 -0.94 -2.21 0.00 0.00 174.62 171.03 1rit s SER 68 N -2.96 -0.57 0.27 8.08 1.04 -0.83 -1.31 113.70 117.42 1rit s SER 68 Ca 0.09 1.09 -0.01 0.00 0.48 0.00 0.00 55.95 57.61 1rit s SER 68 Cb 0.06 1.10 -0.02 0.00 0.10 0.00 0.00 66.02 67.26 1rit s SER 68 CO -0.07 -0.19 0.30 0.72 0.98 0.00 0.00 173.24 174.98 1rit s PHE 69 N 0.36 1.16 -0.00 5.02 -0.12 -0.48 -2.17 117.98 121.76 1rit s PHE 69 Ca -0.01 -1.33 -0.01 0.00 -0.05 0.00 0.00 56.93 55.54 1rit s PHE 69 Cb -0.04 -0.37 -0.00 0.00 -0.63 0.00 0.00 43.02 41.97 1rit s PHE 69 CO -0.00 -0.87 0.01 -1.54 -0.05 0.00 0.00 175.22 172.77 1rit s SER 70 N -3.21 0.03 0.25 1.98 1.04 -1.00 -0.10 113.70 112.69 1rit s SER 70 Ca 0.35 -0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.72 1rit s SER 70 Cb 0.03 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 1rit s SER 70 CO 0.17 -0.07 0.21 0.72 0.98 0.00 0.00 173.24 175.25 1rit s PHE 71 N -0.29 1.33 -0.06 5.02 -0.12 -0.81 -0.40 117.98 122.66 1rit s PHE 71 Ca -0.03 -1.45 -0.03 0.00 -0.05 0.00 0.00 56.93 55.36 1rit s PHE 71 Cb -0.02 -0.57 0.03 0.00 -0.63 0.00 0.00 43.02 41.83 1rit s PHE 71 CO -0.00 -0.75 0.14 -2.00 -0.05 0.00 0.00 175.22 172.56 1rit s GLU 72 N -3.87 0.11 -0.06 1.99 2.12 0.41 -1.21 118.70 118.19 1rit s GLU 72 Ca 0.39 0.29 0.05 0.00 0.36 0.00 0.00 54.97 56.06 1rit s GLU 72 Cb 0.05 -0.08 -0.00 0.00 0.26 0.00 0.00 34.13 34.35 1rit s GLU 72 CO 0.18 -0.11 -0.21 -1.64 -0.54 0.00 0.00 175.26 172.94 1rit s MET 73 N 0.74 2.34 0.03 4.30 -1.94 -1.25 -1.12 119.30 122.40 1rit s MET 73 Ca -0.06 -0.76 0.03 0.00 -1.71 0.00 0.00 55.69 53.20 1rit s MET 73 Cb -0.07 -1.93 -0.02 0.00 2.01 0.00 0.00 34.83 34.82 1rit s MET 73 CO -0.04 0.26 -0.11 0.21 -0.01 0.00 0.00 175.02 175.34 1rit s LYS 74 N 0.09 0.73 0.31 2.03 2.20 -0.88 -0.00 119.74 124.20 1rit s LYS 74 Ca -0.08 -0.62 -0.25 0.00 -0.36 0.00 0.00 55.97 54.66 1rit s LYS 74 Cb -0.14 -0.67 -0.10 0.00 -1.51 0.00 0.00 37.83 35.42 1rit s LYS 74 CO 0.04 0.16 0.90 -0.51 -0.36 0.00 0.00 175.35 175.59 1rit s ASP 75 N -0.99 7.27 -0.06 1.43 1.01 -1.26 -1.22 116.67 122.85 1rit s ASP 75 Ca -0.01 1.75 0.05 0.00 0.71 0.00 0.00 52.55 55.05 1rit s ASP 75 Cb -0.07 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 1rit s ASP 75 CO 0.01 -0.05 -0.21 0.27 0.21 0.00 0.00 175.17 175.39 1rit s ILE 76 N -1.61 2.40 0.60 0.77 -4.36 -1.26 -4.89 121.20 112.85 1rit s ILE 76 Ca 0.49 -0.95 -0.18 0.00 -0.26 0.00 0.00 60.65 59.76 1rit s ILE 76 Cb -0.18 -1.90 -0.07 0.00 1.25 0.00 0.00 42.46 41.56 1rit s ILE 76 CO 0.23 0.57 0.68 0.29 0.24 0.00 0.00 174.94 176.95 1rit n LYS 77 N 2.79 0.60 -1.27 0.37 4.01 -1.26 -2.83 118.16 120.57 1rit n LYS 77 Ca -0.17 0.24 -0.11 0.00 -0.51 0.00 0.00 58.31 57.76 1rit n LYS 77 Cb 0.52 -1.88 -0.05 0.00 -0.51 0.00 0.00 35.03 33.12 1rit n LYS 77 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1rit n ASP 78 N -0.07 -5.03 -3.76 4.39 8.00 -1.26 -4.95 116.55 113.87 1rit n ASP 78 Ca 0.12 0.27 -0.16 0.00 0.71 0.00 0.00 54.79 55.73 1rit n ASP 78 Cb 0.48 -3.86 -0.16 0.00 -0.02 0.00 0.00 41.12 37.55 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 -1.88 0.10 0.10 1.24 2.02 -1.13 -5.04 117.35 112.76 1rit s TYR 79 Ca 0.00 0.12 -0.35 0.00 -0.37 0.00 0.00 57.07 56.47 1rit s TYR 79 Cb 0.00 -0.33 -0.14 0.00 -0.40 0.00 0.00 41.96 41.09 1rit s TYR 79 CO 0.00 -0.12 1.56 -0.25 -1.57 0.00 0.00 175.55 175.17 1rit n ASP 80 N 4.41 2.74 -4.56 2.29 9.92 -0.75 -4.54 116.55 126.06 1rit n ASP 80 Ca -0.23 1.08 -0.39 0.00 -0.53 0.00 0.00 54.79 54.72 1rit n ASP 80 Cb 0.50 -1.35 -0.03 0.00 -0.64 0.00 0.00 41.12 39.60 1rit n ASP 80 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 1rit s PRO 81 N 1.25 2.77 0.12 -0.24 0.02 -1.26 -0.60 135.00 137.06 1rit s PRO 81 Ca 0.82 0.96 -0.24 0.00 0.02 0.00 0.00 61.00 62.56 1rit s PRO 81 Cb -0.76 -4.36 0.08 0.00 0.02 0.00 0.00 34.50 29.47 1rit s PRO 81 CO 0.43 -2.54 0.69 0.00 -0.33 0.00 0.00 177.00 175.24 1rit s ALA 82 N 8.84 -1.64 -0.03 -1.55 0.00 -1.25 -4.57 121.76 121.56 1rit s ALA 82 Ca 0.75 0.58 0.16 0.00 0.00 0.00 0.00 51.96 53.45 1rit s ALA 82 Cb -0.16 0.76 -0.25 0.00 0.00 0.00 0.00 23.12 23.47 1rit s ALA 82 CO 0.25 -0.77 0.34 -0.25 0.00 0.00 0.00 175.76 175.33 1rit n ASP 83 N -0.35 1.23 0.00 0.00 8.00 -0.20 -3.18 116.55 122.06 1rit n ASP 83 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1rit n ASP 83 Cb 0.64 1.68 0.00 0.00 -0.02 0.00 0.00 41.12 43.42 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 1.61 0.89 3.34 0.44 0.00 -1.26 -1.23 105.19 108.97 1rit n GLY 84 Ca -0.05 -2.02 -0.20 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.30 1.76 -0.09 -0.61 1.01 -1.07 -3.63 121.20 117.28 1rit s ILE 85 Ca 0.00 -2.07 -0.05 0.00 0.00 0.00 0.00 60.65 58.53 1rit s ILE 85 Cb 0.00 -1.94 0.04 0.00 0.01 0.00 0.00 42.46 40.57 1rit s ILE 85 CO 0.00 -0.47 0.20 -0.51 0.00 0.00 0.00 174.94 174.16 1rit s ILE 86 N -2.55 -0.04 -0.30 2.92 2.07 -0.65 0.44 121.20 123.09 1rit s ILE 86 Ca 0.19 0.15 -0.21 0.00 -1.41 0.00 0.00 60.65 59.37 1rit s ILE 86 Cb -0.03 -0.32 -0.01 0.00 0.13 0.00 0.00 42.46 42.23 1rit s ILE 86 CO 0.07 0.06 0.64 0.12 -1.91 0.00 0.00 174.94 173.92 1rit s PHE 87 N 1.12 3.21 0.21 3.50 5.36 0.04 -2.36 117.98 129.06 1rit s PHE 87 Ca -0.08 0.61 0.08 0.00 -0.96 0.00 0.00 56.93 56.58 1rit s PHE 87 Cb -0.10 -3.00 -0.05 0.00 -0.34 0.00 0.00 43.02 39.53 1rit s PHE 87 CO -0.07 -0.48 -0.16 -0.59 -1.46 0.00 0.00 175.22 172.47 1rit s PHE 88 N 2.63 1.80 -0.11 10.12 -0.71 0.01 -0.69 117.98 131.03 1rit s PHE 88 Ca 0.26 -0.52 0.02 0.00 -1.04 0.00 0.00 56.93 55.64 1rit s PHE 88 Cb -0.15 -0.84 0.01 0.00 -1.21 0.00 0.00 43.02 40.84 1rit s PHE 88 CO 0.12 0.39 -0.16 0.42 -1.34 0.00 0.00 175.22 174.65 1rit s ILE 89 N -2.74 1.57 0.17 -4.49 1.01 0.20 -1.02 121.20 115.91 1rit s ILE 89 Ca 0.22 -0.69 -0.09 0.00 0.00 0.00 0.00 60.65 60.09 1rit s ILE 89 Cb -0.02 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 1rit s ILE 89 CO 0.08 0.46 0.29 0.00 0.00 0.00 0.00 174.94 175.77 1rit s ALA 90 N 0.95 0.03 0.65 9.38 0.00 0.79 -1.83 121.76 131.73 1rit s ALA 90 Ca -0.07 -0.92 -0.17 0.00 0.00 0.00 0.00 51.96 50.80 1rit s ALA 90 Cb -0.15 0.90 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 1rit s ALA 90 CO -0.01 -0.66 0.89 -2.30 0.00 0.00 0.00 175.76 173.67 1rit n PRO 91 N -0.23 0.69 0.24 0.00 -0.02 -1.26 0.99 135.00 135.40 1rit n PRO 91 Ca -0.06 0.28 0.14 0.00 -2.02 0.00 0.00 63.50 61.83 1rit n PRO 91 Cb 0.63 -2.11 0.74 0.00 -0.02 0.00 0.00 33.50 32.74 1rit n PRO 91 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1rit h GLU 92 N 0.15 0.00 -0.56 -0.52 4.11 -1.78 -1.56 114.58 114.42 1rit h GLU 92 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1rit h GLU 92 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1rit h GLU 92 CO 0.48 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.16 1rit n ASP 93 N -2.53 4.89 -4.69 3.06 5.68 -1.26 -4.96 116.55 116.73 1rit n ASP 93 Ca -0.02 -2.66 -0.44 0.00 -0.50 0.00 0.00 54.79 51.17 1rit n ASP 93 Cb 0.16 -0.59 -0.03 0.00 -1.14 0.00 0.00 41.12 39.51 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 0.71 0.11 -4.37 2.12 5.66 -0.59 -5.02 114.28 112.91 1rit n THR 94 Ca 0.25 -0.03 -0.19 0.00 -3.05 0.00 0.00 64.05 61.04 1rit n THR 94 Cb 0.97 -1.74 -0.10 0.00 -1.55 0.00 0.00 70.33 67.91 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 0.86 1.43 -0.10 1.09 -1.52 -1.26 -5.09 119.66 115.07 1rit s GLN 95 Ca 0.76 -1.73 -0.30 0.00 -1.95 0.00 0.00 55.36 52.14 1rit s GLN 95 Cb -0.60 -0.80 -0.04 0.00 -0.22 0.00 0.00 33.01 31.36 1rit s GLN 95 CO 0.37 -0.07 1.47 0.42 -0.25 0.00 0.00 175.29 177.23 1rit s ILE 96 N -3.29 3.89 -0.07 1.08 1.01 -1.26 -4.88 121.20 117.67 1rit s ILE 96 Ca 0.29 1.09 -0.41 0.00 0.00 0.00 0.00 60.65 61.63 1rit s ILE 96 Cb 0.05 -3.70 -0.19 0.00 0.01 0.00 0.00 42.46 38.63 1rit s ILE 96 CO 0.10 -0.09 1.21 -2.65 0.00 0.00 0.00 174.94 173.52 1rit n PRO 97 N 6.78 0.21 -1.59 2.79 -0.02 -1.26 -4.78 135.00 137.13 1rit n PRO 97 Ca 0.16 0.08 -0.50 0.00 -2.02 0.00 0.00 63.50 61.21 1rit n PRO 97 Cb 0.44 -1.60 -0.05 0.00 -0.02 0.00 0.00 33.50 32.27 1rit n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rit n ALA 98 N 2.16 -0.74 -3.85 3.55 0.00 -1.26 -1.97 120.51 118.41 1rit n ALA 98 Ca 0.22 0.48 -0.35 0.00 0.00 0.00 0.00 53.44 53.78 1rit n ALA 98 Cb 0.08 -2.06 0.03 0.00 0.00 0.00 0.00 19.45 17.49 1rit n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rit n GLY 99 N 2.23 -0.83 3.59 0.00 0.00 -1.26 -4.89 105.19 104.02 1rit n GLY 99 Ca 0.16 0.38 -0.42 0.00 0.00 0.00 0.00 46.02 46.13 1rit n GLY 99 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rit s SER 100 N -3.62 6.62 0.11 1.61 0.15 -0.83 -4.93 113.70 112.82 1rit s SER 100 Ca 0.41 0.46 0.05 0.00 0.70 0.00 0.00 55.95 57.57 1rit s SER 100 Cb -0.17 -2.44 0.27 0.00 -1.71 0.00 0.00 66.02 61.96 1rit s SER 100 CO 0.90 -0.83 1.00 2.30 1.20 0.00 0.00 173.24 177.81 1rit n ILE 101 N 5.95 1.07 0.00 6.45 -5.35 -1.26 -4.90 119.36 121.32 1rit n ILE 101 Ca 0.06 0.59 0.00 0.00 -0.27 0.00 0.00 62.75 63.12 1rit n ILE 101 Cb 0.48 -1.59 0.00 0.00 -1.74 0.00 0.00 39.64 36.80 1rit n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rit n GLY 102 N -1.31 1.43 2.47 3.28 0.00 -1.26 -4.68 105.19 105.12 1rit n GLY 102 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1rit n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rit n GLY 103 N 0.00 0.82 0.06 -0.02 0.00 -0.72 -0.85 105.19 104.48 1rit n GLY 103 Ca 0.00 0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -0.45 0.04 -0.02 0.00 -1.26 -0.88 105.19 102.62 1rit n GLY 104 Ca 0.00 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.60 0.00 -0.78 2.61 -2.24 -0.03 -4.92 114.28 107.32 1rit n THR 105 Ca -0.00 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1rit n THR 105 Cb 0.20 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 1rit n THR 105 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1rit n LEU 106 N -1.34 0.80 0.00 3.22 4.77 -0.05 -2.41 117.00 121.99 1rit n LEU 106 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1rit n LEU 106 Cb 0.33 -2.06 0.00 0.00 -2.33 0.00 0.00 43.42 39.36 1rit n LEU 106 CO 0.30 -0.78 0.00 0.61 -1.33 0.00 0.00 177.39 176.19 1rit n GLY 107 N 0.69 0.38 0.00 -0.72 0.00 -1.26 -3.89 105.19 100.39 1rit n GLY 107 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.43 0.00 -4.08 1.61 0.24 -1.01 -4.64 118.33 107.02 1rit n VAL 108 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 1rit n VAL 108 Cb 0.22 0.95 -0.09 0.00 -1.47 0.00 0.00 33.84 33.45 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 0.00 0.25 0.52 -1.34 1.04 -1.19 -4.44 113.70 108.54 1rit s SER 109 Ca 0.00 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.35 1rit s SER 109 Cb 0.00 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1rit s SER 109 CO 0.00 -0.76 0.00 -0.90 0.98 0.00 0.00 173.24 172.56 1rit n ASP 110 N -0.10 0.00 -0.26 7.02 5.68 0.48 -4.81 116.55 124.56 1rit n ASP 110 Ca -0.07 -0.67 -0.06 0.00 -0.50 0.00 0.00 54.79 53.49 1rit n ASP 110 Cb 0.63 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.66 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 -0.52 1.24 -0.11 2.12 2.02 -1.92 -1.62 112.91 114.11 1rit h THR 111 Ca 0.00 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.41 1rit h THR 111 Cb 0.00 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 1rit h THR 111 CO 0.00 0.30 0.05 0.29 0.37 0.00 0.00 175.52 176.53 1rit n LYS 112 N -4.38 1.36 -3.90 6.66 4.76 -1.26 -4.85 118.16 116.55 1rit n LYS 112 Ca 0.06 -0.44 -0.28 0.00 -2.87 0.00 0.00 58.31 54.78 1rit n LYS 112 Cb 0.16 -1.38 0.02 0.00 -1.84 0.00 0.00 35.03 31.99 1rit n LYS 112 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rit n GLY 113 N 0.18 -0.41 3.49 0.72 0.00 -0.61 -4.92 105.19 103.65 1rit n GLY 113 Ca 0.06 0.17 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 1rit n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rit s ALA 114 N -3.46 2.70 0.00 4.61 0.00 -1.26 -1.68 121.76 122.68 1rit s ALA 114 Ca 0.44 -2.01 0.00 0.00 0.00 0.00 0.00 51.96 50.39 1rit s ALA 114 Cb -0.22 0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1rit s ALA 114 CO 0.84 0.03 0.00 0.41 0.00 0.00 0.00 175.76 177.04 1rit n GLY 115 N -0.70 -1.80 3.17 0.00 0.00 -1.18 -0.39 105.19 104.29 1rit n GLY 115 Ca -0.05 -1.12 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.29 3.51 -0.09 1.61 2.46 -1.26 -4.42 115.29 114.82 1rit s HIS 116 Ca 0.00 -2.40 -0.30 0.00 0.47 0.00 0.00 55.06 52.83 1rit s HIS 116 Cb 0.00 -3.40 0.11 0.00 -0.13 0.00 0.00 32.58 29.16 1rit s HIS 116 CO 0.00 -0.91 0.94 -0.59 -2.47 0.00 0.00 174.74 171.71 1rit s PHE 117 N 0.24 -0.37 -0.07 3.88 -0.71 -1.26 -4.52 117.98 115.17 1rit s PHE 117 Ca 0.15 0.48 0.05 0.00 -1.04 0.00 0.00 56.93 56.57 1rit s PHE 117 Cb -0.19 0.49 -0.01 0.00 -1.21 0.00 0.00 43.02 42.10 1rit s PHE 117 CO -0.04 -0.44 -0.24 0.08 -1.34 0.00 0.00 175.22 173.23 1rit s VAL 118 N -1.99 2.02 0.22 -2.49 1.01 -0.76 0.73 120.40 119.14 1rit s VAL 118 Ca 0.01 -1.03 -0.23 0.00 0.00 0.00 0.00 61.98 60.73 1rit s VAL 118 Cb -0.01 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.70 1rit s VAL 118 CO -0.02 0.56 0.75 -0.83 0.00 0.00 0.00 175.10 175.56 1rit s GLY 119 N -0.02 -0.23 -0.29 4.51 0.00 0.11 -0.63 107.32 110.78 1rit s GLY 119 Ca -0.08 -0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.66 1rit s GLY 119 CO 0.05 -0.01 -0.05 0.14 0.00 0.00 0.00 173.10 173.23 1rit s VAL 120 N -3.73 2.20 0.10 1.40 1.01 0.14 0.46 120.40 121.98 1rit s VAL 120 Ca 0.09 -1.89 -0.07 0.00 0.00 0.00 0.00 61.98 60.11 1rit s VAL 120 Cb -0.04 -2.42 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 1rit s VAL 120 CO 0.02 -0.23 0.37 -1.83 0.00 0.00 0.00 175.10 173.42 1rit s GLU 121 N 1.03 3.67 -0.71 2.72 -1.05 -0.43 -0.78 118.70 123.14 1rit s GLU 121 Ca -0.02 0.02 0.05 0.00 -0.15 0.00 0.00 54.97 54.87 1rit s GLU 121 Cb -0.20 -2.94 0.20 0.00 -0.44 0.00 0.00 34.13 30.76 1rit s GLU 121 CO -0.06 0.53 0.63 1.19 0.95 0.00 0.00 175.26 178.50 1rit n PHE 122 N 0.58 3.47 -2.21 4.83 3.01 0.17 -1.26 117.46 126.06 1rit n PHE 122 Ca -0.06 -4.21 -0.42 0.00 1.01 0.00 0.00 57.45 53.77 1rit n PHE 122 Cb 0.52 -0.67 -0.03 0.00 -0.01 0.00 0.00 39.48 39.30 1rit n PHE 122 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1rit s ASP 123 N -1.72 6.88 -0.00 4.37 -1.08 -0.78 -2.59 116.67 121.74 1rit s ASP 123 Ca 0.30 2.32 0.01 0.00 -0.52 0.00 0.00 52.55 54.66 1rit s ASP 123 Cb 0.02 -2.59 0.01 0.00 -1.46 0.00 0.00 42.92 38.90 1rit s ASP 123 CO -0.11 -0.59 0.95 0.35 0.52 0.00 0.00 175.17 176.29 1rit n THR 124 N 3.51 0.91 -3.78 1.71 -2.24 -0.37 -2.18 114.28 111.84 1rit n THR 124 Ca 0.09 -0.92 -0.13 0.00 -2.27 0.00 0.00 64.05 60.82 1rit n THR 124 Cb 0.43 0.53 -0.13 0.00 -2.10 0.00 0.00 70.33 69.06 1rit n THR 124 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1rit s TYR 125 N -0.94 -0.21 -0.25 4.78 5.04 -1.25 -4.75 117.35 119.77 1rit s TYR 125 Ca 0.01 0.52 -0.24 0.00 -2.44 0.00 0.00 57.07 54.93 1rit s TYR 125 Cb 0.01 0.02 -0.01 0.00 0.35 0.00 0.00 41.96 42.34 1rit s TYR 125 CO 0.00 -0.14 0.79 0.45 -1.34 0.00 0.00 175.55 175.32 1rit s SER 126 N 0.58 6.77 -0.51 4.32 0.15 -1.26 -5.00 113.70 118.75 1rit s SER 126 Ca -0.04 0.95 -0.07 0.00 0.70 0.00 0.00 55.95 57.48 1rit s SER 126 Cb -0.06 -2.42 0.13 0.00 -1.71 0.00 0.00 66.02 61.97 1rit s SER 126 CO -0.03 -0.50 0.37 0.20 1.20 0.00 0.00 173.24 174.48 1rit s ASN 127 N 1.39 5.63 0.57 5.45 -0.87 -1.26 -4.94 114.94 120.91 1rit s ASN 127 Ca 0.33 -2.15 0.27 0.00 -1.57 0.00 0.00 52.86 49.73 1rit s ASN 127 Cb -0.15 -1.97 1.55 0.00 -0.02 0.00 0.00 41.25 40.66 1rit s ASN 127 CO 0.08 -0.60 2.08 0.77 -2.57 0.00 0.00 177.10 176.85 1rit h SER 128 N 8.09 0.00 0.04 -1.22 4.64 -1.95 0.20 113.55 123.36 1rit h SER 128 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1rit h SER 128 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1rit h SER 128 CO 0.80 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.92 1rit n GLU 129 N -4.00 0.44 -0.10 4.77 0.00 -1.26 -2.02 120.64 118.46 1rit n GLU 129 Ca 0.03 0.02 0.01 0.00 0.00 0.00 0.00 57.16 57.22 1rit n GLU 129 Cb 0.37 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.32 1rit n GLU 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1rit n TYR 130 N -1.04 0.00 -2.23 -1.84 4.01 0.68 -4.92 117.16 111.82 1rit n TYR 130 Ca 0.11 -0.22 -0.15 0.00 -0.16 0.00 0.00 57.90 57.47 1rit n TYR 130 Cb 0.06 -0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 39.04 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 -0.26 -4.65 -4.77 7.72 3.02 -0.86 -4.31 115.26 111.16 1rit n ASN 131 Ca 0.02 0.02 -0.41 0.00 -0.03 0.00 0.00 54.58 54.17 1rit n ASN 131 Cb 0.49 -3.76 -0.01 0.00 -0.61 0.00 0.00 39.78 35.89 1rit n ASN 131 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1rit s ASP 132 N -2.35 6.37 0.69 6.41 1.11 -1.01 -4.96 116.67 122.94 1rit s ASP 132 Ca 0.00 3.01 -0.15 0.00 0.18 0.00 0.00 52.55 55.59 1rit s ASP 132 Cb 0.00 -2.66 0.02 0.00 1.07 0.00 0.00 42.92 41.35 1rit s ASP 132 CO 0.00 -0.86 1.14 -2.84 1.18 0.00 0.00 175.17 173.79 1rit s PRO 133 N -1.77 2.54 0.00 8.23 0.02 -1.26 -4.73 135.00 138.03 1rit s PRO 133 Ca 0.55 1.50 0.01 0.00 0.02 0.00 0.00 61.00 63.07 1rit s PRO 133 Cb -0.46 -1.91 0.05 0.00 0.02 0.00 0.00 34.50 32.20 1rit s PRO 133 CO 0.60 -1.47 0.79 -0.35 -0.33 0.00 0.00 177.00 176.24 1rit n PRO 134 N -2.58 0.02 -4.25 5.54 -0.04 -1.26 -4.66 135.00 127.77 1rit n PRO 134 Ca 0.11 0.24 -0.14 0.00 -0.04 0.00 0.00 63.50 63.68 1rit n PRO 134 Cb 0.51 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 1rit n PRO 134 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1rit s THR 135 N -2.50 0.25 0.69 0.52 -4.23 -1.26 -4.89 115.64 104.22 1rit s THR 135 Ca 0.01 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.35 1rit s THR 135 Cb 0.01 -2.54 -0.06 0.00 1.34 0.00 0.00 72.50 71.24 1rit s THR 135 CO 0.01 -0.02 0.39 0.47 -0.54 0.00 0.00 174.62 174.94 1rit n ASP 136 N -0.35 -1.67 -3.66 3.99 8.00 -1.26 -4.85 116.55 116.76 1rit n ASP 136 Ca 0.01 0.60 -0.05 0.00 0.71 0.00 0.00 54.79 56.06 1rit n ASP 136 Cb 0.66 -1.15 -0.01 0.00 -0.02 0.00 0.00 41.12 40.60 1rit n ASP 136 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1rit s HIS 137 N -1.89 -0.10 -0.01 1.24 -3.43 -0.93 -2.33 115.29 107.84 1rit s HIS 137 Ca 0.64 -0.31 0.07 0.00 -0.80 0.00 0.00 55.06 54.66 1rit s HIS 137 Cb -0.37 0.69 -0.02 0.00 -1.43 0.00 0.00 32.58 31.45 1rit s HIS 137 CO 0.59 -1.05 -0.22 0.08 -2.00 0.00 0.00 174.74 172.15 1rit s VAL 138 N -3.25 1.75 0.07 -5.38 1.01 -0.74 -1.87 120.40 111.98 1rit s VAL 138 Ca 0.13 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1rit s VAL 138 Cb -0.03 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 1rit s VAL 138 CO 0.05 0.47 0.15 -0.83 0.00 0.00 0.00 175.10 174.95 1rit s GLY 139 N -0.57 0.13 -0.34 4.51 0.00 -0.39 -1.07 107.32 109.59 1rit s GLY 139 Ca 0.09 -0.62 -0.12 0.00 0.00 0.00 0.00 44.72 44.07 1rit s GLY 139 CO -0.01 -0.79 0.21 -0.42 0.00 0.00 0.00 173.10 172.09 1rit s ILE 140 N -3.48 4.95 -0.10 0.90 -1.09 -0.16 -1.32 121.20 120.90 1rit s ILE 140 Ca 0.02 -0.40 -0.02 0.00 -2.23 0.00 0.00 60.65 58.02 1rit s ILE 140 Cb 0.03 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.31 1rit s ILE 140 CO -0.09 -0.03 -0.01 -1.81 -1.23 0.00 0.00 174.94 171.77 1rit s ASP 141 N 1.66 5.08 -0.47 3.58 1.01 0.17 -1.24 116.67 126.46 1rit s ASP 141 Ca 0.05 0.07 0.03 0.00 0.71 0.00 0.00 52.55 53.41 1rit s ASP 141 Cb -0.18 -1.50 0.16 0.00 1.01 0.00 0.00 42.92 42.41 1rit s ASP 141 CO 0.08 0.33 0.34 -0.69 0.21 0.00 0.00 175.17 175.44 1rit s VAL 142 N -0.58 1.01 -0.44 -1.27 1.01 -1.26 -0.71 120.40 118.15 1rit s VAL 142 Ca 0.09 -2.87 0.00 0.00 0.00 0.00 0.00 61.98 59.20 1rit s VAL 142 Cb -0.12 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1rit s VAL 142 CO 0.02 -1.11 0.00 0.59 0.00 0.00 0.00 175.10 174.60 1rit n ASN 143 N 2.90 -2.45 -3.65 3.32 3.02 0.23 -4.97 115.26 113.65 1rit n ASN 143 Ca 0.23 0.02 -0.03 0.00 -0.03 0.00 0.00 54.58 54.77 1rit n ASN 143 Cb 0.42 -1.55 -0.07 0.00 -0.61 0.00 0.00 39.78 37.97 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 -2.81 -0.07 0.00 6.41 0.15 -1.26 -3.13 113.70 113.00 1rit s SER 144 Ca 0.00 0.13 0.06 0.00 0.70 0.00 0.00 55.95 56.83 1rit s SER 144 Cb 0.00 0.16 0.32 0.00 -1.71 0.00 0.00 66.02 64.79 1rit s SER 144 CO 0.00 -0.02 1.21 1.33 1.20 0.00 0.00 173.24 176.95 1rit n VAL 145 N 1.66 0.01 -3.19 4.45 0.24 -0.67 -4.15 118.33 116.68 1rit n VAL 145 Ca -0.11 -0.02 -0.45 0.00 -2.04 0.00 0.00 64.34 61.73 1rit n VAL 145 Cb 0.57 -0.07 -0.00 0.00 -1.47 0.00 0.00 33.84 32.87 1rit n VAL 145 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1rit s ASP 146 N -1.16 7.23 0.17 -1.34 -1.08 -1.26 -4.92 116.67 114.31 1rit s ASP 146 Ca 0.08 -3.38 -0.26 0.00 -0.52 0.00 0.00 52.55 48.48 1rit s ASP 146 Cb 0.04 -2.28 -0.16 0.00 -1.46 0.00 0.00 42.92 39.06 1rit s ASP 146 CO 0.07 -0.46 0.50 -1.20 0.52 0.00 0.00 175.17 174.60 1rit n SER 147 N 3.82 -1.08 0.22 -0.34 7.64 -1.26 -4.85 113.62 117.77 1rit n SER 147 Ca 0.29 1.04 0.11 0.00 1.01 0.00 0.00 58.87 61.31 1rit n SER 147 Cb 0.40 -0.87 0.34 0.00 -1.01 0.00 0.00 64.21 63.08 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 1.02 0.29 -1.54 0.44 2.07 -1.50 -3.46 116.25 113.58 1rit h VAL 148 Ca -0.27 -1.13 0.08 0.00 0.82 0.00 0.00 66.70 66.21 1rit h VAL 148 Cb 1.32 1.90 -0.26 0.00 -1.52 0.00 0.00 31.29 32.73 1rit h VAL 148 CO 0.53 0.14 0.53 -0.75 0.02 0.00 0.00 177.57 178.04 1rit s LYS 149 N -3.39 0.49 0.22 1.57 2.20 -1.22 -5.02 119.74 114.60 1rit s LYS 149 Ca 0.03 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.04 1rit s LYS 149 Cb 0.08 0.24 -0.05 0.00 -1.51 0.00 0.00 37.83 36.59 1rit s LYS 149 CO 0.64 -0.10 0.10 0.95 -0.36 0.00 0.00 175.35 176.59 1rit s THR 150 N -0.27 0.31 -0.15 3.43 -4.23 -1.26 -0.98 115.64 112.47 1rit s THR 150 Ca 0.02 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.47 1rit s THR 150 Cb -0.03 -2.53 0.07 0.00 1.34 0.00 0.00 72.50 71.35 1rit s THR 150 CO -0.04 -0.04 0.34 0.54 -0.54 0.00 0.00 174.62 174.87 1rit s VAL 151 N -3.94 -0.35 0.37 2.29 0.11 -0.24 -4.97 120.40 113.68 1rit s VAL 151 Ca 0.37 0.19 -0.24 0.00 -2.93 0.00 0.00 61.98 59.37 1rit s VAL 151 Cb 0.07 -0.53 -0.14 0.00 -1.53 0.00 0.00 36.38 34.25 1rit s VAL 151 CO 0.12 0.08 0.60 -0.81 -3.33 0.00 0.00 175.10 171.76 1rit n PRO 152 N 4.96 0.60 -3.91 1.54 -0.04 -1.26 -1.80 135.00 135.09 1rit n PRO 152 Ca -0.13 0.21 -0.09 0.00 -0.04 0.00 0.00 63.50 63.45 1rit n PRO 152 Cb 0.51 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 1rit n PRO 152 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 1rit s TRP 153 N -1.35 0.19 -0.19 0.54 -0.00 -0.98 -4.74 118.94 112.40 1rit s TRP 153 Ca 0.62 -0.55 -0.03 0.00 -0.00 0.00 0.00 56.10 56.14 1rit s TRP 153 Cb -0.67 0.25 0.06 0.00 -0.00 0.00 0.00 33.47 33.11 1rit s TRP 153 CO 0.58 -0.94 0.05 1.21 -0.00 0.00 0.00 176.95 177.85 1rit s ASN 154 N -2.96 2.80 -0.35 5.86 2.47 -1.26 -4.12 114.94 117.38 1rit s ASN 154 Ca 0.17 -0.79 -0.29 0.00 0.42 0.00 0.00 52.86 52.37 1rit s ASN 154 Cb -0.00 -0.52 0.02 0.00 -1.45 0.00 0.00 41.25 39.29 1rit s ASN 154 CO 0.04 -0.32 1.15 -0.55 -3.72 0.00 0.00 177.10 173.70 1rit s SER 155 N 1.92 6.79 -0.29 -4.21 0.15 -1.26 -4.99 113.70 111.81 1rit s SER 155 Ca -0.00 0.94 -0.13 0.00 0.70 0.00 0.00 55.95 57.46 1rit s SER 155 Cb -0.17 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.56 1rit s SER 155 CO -0.09 -1.02 0.28 -0.69 1.20 0.00 0.00 173.24 172.92 1rit s VAL 156 N 4.04 5.24 0.20 4.45 1.01 -1.26 -5.05 120.40 129.03 1rit s VAL 156 Ca 0.49 0.26 -0.32 0.00 0.00 0.00 0.00 61.98 62.41 1rit s VAL 156 Cb -0.12 -3.64 -0.12 0.00 0.00 0.00 0.00 36.38 32.50 1rit s VAL 156 CO 0.21 0.16 1.71 -0.24 0.00 0.00 0.00 175.10 176.94 1rit n SER 157 N 5.20 3.85 0.00 3.32 2.88 -1.26 -2.37 113.62 125.23 1rit n SER 157 Ca -0.11 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1rit n SER 157 Cb 0.51 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 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 3.89 0.56 3.86 0.46 0.00 0.99 -4.93 105.19 110.03 1rit n GLY 158 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.43 3.85 -0.08 4.61 0.00 -1.00 -4.96 121.76 121.75 1rit s ALA 159 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.02 1rit s ALA 159 Cb 0.00 -1.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.14 1rit s ALA 159 CO 0.00 0.60 0.97 0.08 0.00 0.00 0.00 175.76 177.40 1rit s VAL 160 N -0.95 4.83 0.05 0.00 1.01 -1.26 -4.37 120.40 119.71 1rit s VAL 160 Ca 0.15 1.98 0.02 0.00 0.00 0.00 0.00 61.98 64.13 1rit s VAL 160 Cb -0.12 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1rit s VAL 160 CO 0.04 0.07 0.07 -0.69 0.00 0.00 0.00 175.10 174.58 1rit s VAL 161 N 1.65 4.53 -0.05 2.92 1.01 -0.35 -4.50 120.40 125.61 1rit s VAL 161 Ca 0.48 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.86 1rit s VAL 161 Cb -0.19 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 1rit s VAL 161 CO 0.20 0.21 -0.23 -0.54 0.00 0.00 0.00 175.10 174.74 1rit s LYS 162 N -2.13 2.32 -0.00 2.72 1.02 -1.14 -1.93 119.74 120.60 1rit s LYS 162 Ca 0.26 -0.84 0.04 0.00 0.02 0.00 0.00 55.97 55.46 1rit s LYS 162 Cb -0.12 -2.00 -0.01 0.00 -0.52 0.00 0.00 37.83 35.17 1rit s LYS 162 CO 0.19 0.37 -0.14 0.08 -0.92 0.00 0.00 175.35 174.93 1rit s VAL 163 N -0.17 1.08 -0.10 3.17 1.01 0.86 -0.17 120.40 126.07 1rit s VAL 163 Ca -0.02 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1rit s VAL 163 Cb -0.13 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 35.37 1rit s VAL 163 CO 0.03 0.26 -0.01 -0.89 0.00 0.00 0.00 175.10 174.48 1rit s THR 164 N -0.40 0.55 0.11 3.92 2.01 0.63 -1.38 115.64 121.08 1rit s THR 164 Ca 0.05 -0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.04 1rit s THR 164 Cb -0.06 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 1rit s THR 164 CO -0.00 0.22 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.45 1rit s VAL 165 N 1.89 3.88 -0.10 3.82 1.01 -0.43 -0.55 120.40 129.93 1rit s VAL 165 Ca 0.04 -1.12 -0.05 0.00 0.00 0.00 0.00 61.98 60.86 1rit s VAL 165 Cb -0.13 -2.87 0.05 0.00 0.00 0.00 0.00 36.38 33.43 1rit s VAL 165 CO -0.06 0.06 0.22 -0.63 0.00 0.00 0.00 175.10 174.70 1rit s ILE 166 N -1.39 -0.08 -0.21 2.22 1.01 -0.47 -2.70 121.20 119.57 1rit s ILE 166 Ca 0.26 0.17 0.02 0.00 0.00 0.00 0.00 60.65 61.10 1rit s ILE 166 Cb -0.11 -0.36 0.04 0.00 0.01 0.00 0.00 42.46 42.04 1rit s ILE 166 CO 0.18 0.07 -0.16 -0.47 0.00 0.00 0.00 174.94 174.56 1rit s TYR 167 N 1.39 2.96 -0.34 3.97 5.04 -0.12 -0.95 117.35 129.29 1rit s TYR 167 Ca -0.08 -1.92 -0.13 0.00 -2.44 0.00 0.00 57.07 52.51 1rit s TYR 167 Cb -0.11 -1.92 -0.01 0.00 0.35 0.00 0.00 41.96 40.27 1rit s TYR 167 CO -0.08 -0.84 0.25 0.34 -1.34 0.00 0.00 175.55 173.88 1rit s ASP 168 N 1.22 6.07 0.11 4.32 2.15 -0.98 -2.37 116.67 127.18 1rit s ASP 168 Ca -0.01 -0.45 -0.31 0.00 0.43 0.00 0.00 52.55 52.21 1rit s ASP 168 Cb -0.16 -2.14 -0.10 0.00 -0.30 0.00 0.00 42.92 40.22 1rit s ASP 168 CO -0.10 -0.25 1.59 0.77 -0.17 0.00 0.00 175.17 177.01 1rit h SER 169 N 8.50 -1.24 -0.97 -0.34 4.64 -1.86 0.73 113.55 123.00 1rit h SER 169 Ca -0.31 0.14 0.35 0.00 -0.47 0.00 0.00 61.79 61.50 1rit h SER 169 Cb 1.15 0.46 -0.18 0.00 -0.31 0.00 0.00 62.40 63.53 1rit h SER 169 CO 0.64 -0.49 0.30 -1.20 -0.87 0.00 0.00 176.83 175.22 1rit n SER 170 N -5.46 0.14 -0.35 4.97 7.64 -1.26 -0.57 113.62 118.73 1rit n SER 170 Ca -0.07 1.63 0.05 0.00 1.01 0.00 0.00 58.87 61.49 1rit n SER 170 Cb 0.38 -0.71 0.02 0.00 -1.01 0.00 0.00 64.21 62.90 1rit n SER 170 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1rit n THR 171 N -5.31 0.00 -2.07 0.44 -2.24 -1.05 -4.96 114.28 99.09 1rit n THR 171 Ca 0.31 -0.45 -0.14 0.00 -2.27 0.00 0.00 64.05 61.50 1rit n THR 171 Cb 1.03 1.18 -0.02 0.00 -2.10 0.00 0.00 70.33 70.42 1rit n THR 171 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1rit n LYS 172 N 0.22 -1.85 -3.20 -0.78 5.02 0.25 -4.82 118.16 113.01 1rit n LYS 172 Ca 0.06 0.71 -0.40 0.00 -2.02 0.00 0.00 58.31 56.66 1rit n LYS 172 Cb 0.26 -5.20 -0.07 0.00 -0.02 0.00 0.00 35.03 29.99 1rit n LYS 172 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1rit s THR 173 N -2.50 5.04 -0.32 -0.18 2.01 -1.09 -0.60 115.64 118.00 1rit s THR 173 Ca 0.00 0.89 -0.15 0.00 0.31 0.00 0.00 61.69 62.74 1rit s THR 173 Cb 0.00 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 1rit s THR 173 CO 0.00 0.03 0.37 -0.22 -0.69 0.00 0.00 174.62 174.11 1rit s LEU 174 N 2.38 4.29 -0.05 4.42 2.96 0.11 -2.33 118.68 130.46 1rit s LEU 174 Ca 0.22 -0.05 0.07 0.00 -0.22 0.00 0.00 54.13 54.15 1rit s LEU 174 Cb -0.15 -2.37 -0.01 0.00 0.50 0.00 0.00 46.19 44.15 1rit s LEU 174 CO 0.10 -0.29 -0.25 -0.94 -1.32 0.00 0.00 176.35 173.65 1rit s SER 175 N 1.71 3.11 0.03 3.68 1.04 -0.13 -1.23 113.70 121.92 1rit s SER 175 Ca 0.13 -0.49 0.08 0.00 0.48 0.00 0.00 55.95 56.16 1rit s SER 175 Cb -0.16 -0.69 -0.03 0.00 0.10 0.00 0.00 66.02 65.24 1rit s SER 175 CO 0.11 0.27 -0.23 -0.69 0.98 0.00 0.00 173.24 173.68 1rit s VAL 176 N -0.32 2.36 -0.07 5.02 1.01 0.31 -1.37 120.40 127.34 1rit s VAL 176 Ca 0.01 -1.28 -0.00 0.00 0.00 0.00 0.00 61.98 60.71 1rit s VAL 176 Cb -0.12 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1rit s VAL 176 CO 0.02 0.39 -0.04 0.00 0.00 0.00 0.00 175.10 175.47 1rit s ALA 177 N -0.82 0.90 -0.17 5.51 0.00 0.28 -2.29 121.76 125.19 1rit s ALA 177 Ca 0.12 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.85 1rit s ALA 177 Cb -0.10 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.36 1rit s ALA 177 CO 0.03 -0.27 -0.18 0.08 0.00 0.00 0.00 175.76 175.42 1rit s VAL 178 N 1.48 1.91 -0.58 0.00 1.01 0.10 -0.27 120.40 124.05 1rit s VAL 178 Ca -0.02 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 1rit s VAL 178 Cb -0.13 -1.74 0.11 0.00 0.00 0.00 0.00 36.38 34.62 1rit s VAL 178 CO -0.04 0.52 0.64 -0.89 0.00 0.00 0.00 175.10 175.33 1rit s THR 179 N 1.30 4.97 1.12 3.92 2.01 0.75 -0.68 115.64 129.03 1rit s THR 179 Ca 0.04 -1.20 -0.13 0.00 0.31 0.00 0.00 61.69 60.71 1rit s THR 179 Cb -0.13 -4.44 0.26 0.00 0.01 0.00 0.00 72.50 68.20 1rit s THR 179 CO -0.11 -1.04 1.05 0.20 -0.69 0.00 0.00 174.62 174.03 1rit s ASN 180 N 3.60 1.44 0.15 3.53 -0.87 0.21 -2.89 114.94 120.12 1rit s ASN 180 Ca 0.09 1.39 -0.14 0.00 -1.57 0.00 0.00 52.86 52.62 1rit s ASN 180 Cb -0.26 -2.14 0.04 0.00 -0.02 0.00 0.00 41.25 38.87 1rit s ASN 180 CO 0.05 -3.90 1.73 -0.78 -2.57 0.00 0.00 177.10 171.63 1rit h ASP 181 N -2.42 0.65 0.00 -1.22 3.58 -1.85 -2.69 116.42 112.47 1rit h ASP 181 Ca -0.60 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 56.72 1rit h ASP 181 Cb 1.34 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1rit h ASP 181 CO 0.53 0.61 0.00 -0.46 -2.88 0.00 0.00 179.24 177.04 1rit n ASN 182 N -4.60 0.00 0.00 2.28 2.04 -1.26 -4.80 115.26 108.92 1rit n ASN 182 Ca 0.02 -0.86 0.00 0.00 -0.44 0.00 0.00 54.58 53.30 1rit n ASN 182 Cb 0.12 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.37 1rit n ASN 182 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1rit n GLY 183 N 0.01 2.95 3.74 4.83 0.00 -1.02 -5.04 105.19 110.66 1rit n GLY 183 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 0.11 3.44 -4.75 1.61 9.92 -1.26 -4.60 116.55 121.02 1rit n ASP 184 Ca 0.00 1.20 -0.33 0.00 -0.53 0.00 0.00 54.79 55.13 1rit n ASP 184 Cb 0.00 -1.56 -0.08 0.00 -0.64 0.00 0.00 41.12 38.84 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 -0.75 4.51 -0.08 0.53 -4.36 -1.26 -0.62 121.20 119.18 1rit s ILE 185 Ca 0.58 -0.52 0.03 0.00 -0.26 0.00 0.00 60.65 60.48 1rit s ILE 185 Cb -0.52 -3.06 0.00 0.00 1.25 0.00 0.00 42.46 40.13 1rit s ILE 185 CO 0.58 0.33 -0.19 -0.89 0.24 0.00 0.00 174.94 175.02 1rit s THR 186 N -1.18 1.66 0.25 8.37 2.01 0.14 -4.96 115.64 121.92 1rit s THR 186 Ca 0.22 -0.79 0.06 0.00 0.31 0.00 0.00 61.69 61.50 1rit s THR 186 Cb -0.12 -1.45 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 1rit s THR 186 CO 0.14 0.47 -0.08 0.42 -0.69 0.00 0.00 174.62 174.88 1rit s THR 187 N 0.40 1.56 -0.28 -0.82 -4.23 -1.26 0.02 115.64 111.04 1rit s THR 187 Ca -0.15 -2.13 -0.23 0.00 -1.18 0.00 0.00 61.69 58.00 1rit s THR 187 Cb -0.16 -2.30 0.11 0.00 1.34 0.00 0.00 72.50 71.49 1rit s THR 187 CO 0.06 -0.40 0.92 -0.51 -0.54 0.00 0.00 174.62 174.15 1rit s ILE 188 N -3.07 0.00 0.04 2.99 2.07 -0.97 -4.95 121.20 117.31 1rit s ILE 188 Ca 0.27 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.52 1rit s ILE 188 Cb 0.03 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.59 1rit s ILE 188 CO 0.10 0.00 -0.06 0.00 -1.91 0.00 0.00 174.94 173.07 1rit s ALA 189 N 0.55 0.47 -0.07 1.50 0.00 -1.26 -0.53 121.76 122.41 1rit s ALA 189 Ca -0.00 -0.82 -0.23 0.00 0.00 0.00 0.00 51.96 50.90 1rit s ALA 189 Cb -0.05 0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.24 1rit s ALA 189 CO -0.07 -0.13 0.53 -1.14 0.00 0.00 0.00 175.76 174.95 1rit s GLN 190 N -2.05 0.85 -0.34 0.00 2.00 -0.36 -5.00 119.66 114.76 1rit s GLN 190 Ca -0.08 0.20 -0.18 0.00 -2.00 0.00 0.00 55.36 53.29 1rit s GLN 190 Cb -0.06 0.39 -0.01 0.00 0.80 0.00 0.00 33.01 34.13 1rit s GLN 190 CO -0.02 -0.23 0.53 0.08 -0.50 0.00 0.00 175.29 175.15 1rit s VAL 191 N -0.96 5.00 -0.08 1.34 1.01 -1.26 0.04 120.40 125.48 1rit s VAL 191 Ca -0.10 0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.38 1rit s VAL 191 Cb -0.03 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.40 1rit s VAL 191 CO 0.06 -0.18 -0.17 -0.69 0.00 0.00 0.00 175.10 174.11 1rit s VAL 192 N 2.43 1.55 -0.64 2.92 1.01 0.23 -4.97 120.40 122.93 1rit s VAL 192 Ca 0.20 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 1rit s VAL 192 Cb -0.15 -1.37 0.11 0.00 0.00 0.00 0.00 36.38 34.96 1rit s VAL 192 CO 0.13 0.45 0.78 -0.62 0.00 0.00 0.00 175.10 175.84 1rit s ASP 193 N 0.52 6.24 0.17 3.32 -1.08 -1.26 -4.67 116.67 119.91 1rit s ASP 193 Ca -0.16 -1.47 -0.14 0.00 -0.52 0.00 0.00 52.55 50.26 1rit s ASP 193 Cb -0.17 -2.32 0.06 0.00 -1.46 0.00 0.00 42.92 39.02 1rit s ASP 193 CO 0.06 -1.14 1.78 -0.07 0.52 0.00 0.00 175.17 176.32 1rit h LEU 194 N 10.14 0.66 -0.84 -1.34 3.38 -1.97 -1.58 115.31 123.76 1rit h LEU 194 Ca -0.24 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 57.70 1rit h LEU 194 Cb 1.08 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 1rit h LEU 194 CO 1.10 0.56 0.52 0.50 0.09 0.00 0.00 178.44 181.20 1rit h LYS 195 N 0.70 0.91 0.00 1.13 3.64 -1.91 0.13 116.57 121.18 1rit h LYS 195 Ca 0.19 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 1rit h LYS 195 Cb 0.04 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1rit h LYS 195 CO -0.03 0.60 -0.37 0.00 -2.27 0.00 0.00 179.45 177.39 1rit h ALA 196 N 1.40 1.20 -0.00 5.00 0.00 -1.87 -3.32 119.26 121.67 1rit h ALA 196 Ca 0.37 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rit h ALA 196 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1rit h ALA 196 CO -0.17 0.46 -0.30 1.63 0.00 0.00 0.00 179.25 180.86 1rit n LYS 197 N -3.82 3.07 -4.17 0.00 4.76 -0.63 -5.06 118.16 112.30 1rit n LYS 197 Ca -0.01 -0.30 -0.11 0.00 -2.87 0.00 0.00 58.31 55.01 1rit n LYS 197 Cb 0.44 -0.99 -0.10 0.00 -1.84 0.00 0.00 35.03 32.54 1rit n LYS 197 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1rit s LEU 198 N -1.98 1.16 0.96 -0.35 1.43 0.40 -4.86 118.68 115.45 1rit s LEU 198 Ca 0.06 -1.33 -0.16 0.00 -1.03 0.00 0.00 54.13 51.67 1rit s LEU 198 Cb 0.07 0.49 0.19 0.00 0.03 0.00 0.00 46.19 46.97 1rit s LEU 198 CO 0.30 -0.85 1.28 -2.16 0.23 0.00 0.00 176.35 175.15 1rit s PRO 199 N -4.13 0.64 0.23 1.29 0.04 -1.26 -4.63 135.00 127.17 1rit s PRO 199 Ca 0.36 -0.30 -0.01 0.00 0.04 0.00 0.00 61.00 61.09 1rit s PRO 199 Cb 0.06 -1.83 0.23 0.00 0.04 0.00 0.00 34.50 33.00 1rit s PRO 199 CO 0.10 -2.43 1.59 0.93 0.04 0.00 0.00 177.00 177.23 1rit h GLU 200 N -1.66 0.54 -5.00 4.56 5.08 -1.94 -3.41 114.58 112.76 1rit h GLU 200 Ca -0.45 -0.28 -0.65 0.00 -1.00 0.00 0.00 59.36 56.98 1rit h GLU 200 Cb 1.25 0.01 -0.24 0.00 0.50 0.00 0.00 28.75 30.27 1rit h GLU 200 CO 0.42 0.86 -0.66 1.03 -1.00 0.00 0.00 179.01 179.65 1rit s ARG 201 N -4.22 3.56 0.00 2.33 0.52 -1.26 -1.31 118.95 118.57 1rit s ARG 201 Ca -0.07 -0.53 0.00 0.00 -0.52 0.00 0.00 55.73 54.60 1rit s ARG 201 Cb 0.12 -3.17 0.00 0.00 0.52 0.00 0.00 34.95 32.42 1rit s ARG 201 CO 0.82 -0.15 0.00 1.33 0.02 0.00 0.00 175.30 177.32 1rit n VAL 202 N 4.74 0.00 -3.77 3.52 0.24 -1.11 -3.46 118.33 118.49 1rit n VAL 202 Ca -0.17 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.00 1rit n VAL 202 Cb 0.51 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.78 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 -1.31 0.48 0.26 7.34 1.02 0.28 -2.43 119.74 125.38 1rit s LYS 203 Ca 0.00 0.14 0.08 0.00 0.02 0.00 0.00 55.97 56.21 1rit s LYS 203 Cb 0.00 0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 37.49 1rit s LYS 203 CO 0.00 -0.10 0.15 -0.06 -0.92 0.00 0.00 175.35 174.42 1rit s PHE 204 N -0.49 3.00 -1.61 3.18 0.40 -1.26 -0.15 117.98 121.05 1rit s PHE 204 Ca -0.06 -0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.12 1rit s PHE 204 Cb -0.04 -1.37 0.00 0.00 0.51 0.00 0.00 43.02 42.13 1rit s PHE 204 CO 0.02 0.53 0.00 0.41 0.70 0.00 0.00 175.22 176.88 1rit n GLY 205 N -1.12 -1.64 3.28 4.36 0.00 -0.19 -2.45 105.19 107.43 1rit n GLY 205 Ca -0.07 -1.09 -0.27 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.12 1.96 0.05 1.61 0.40 0.21 -0.81 117.98 119.28 1rit s PHE 206 Ca 0.00 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 55.95 1rit s PHE 206 Cb 0.00 -1.18 -0.03 0.00 0.51 0.00 0.00 43.02 42.32 1rit s PHE 206 CO 0.00 0.10 -0.05 0.45 0.70 0.00 0.00 175.22 176.41 1rit s SER 207 N -1.18 0.70 -0.07 1.36 0.15 -0.99 -0.46 113.70 113.20 1rit s SER 207 Ca 0.09 -0.74 -0.25 0.00 0.70 0.00 0.00 55.95 55.75 1rit s SER 207 Cb -0.09 0.10 0.06 0.00 -1.71 0.00 0.00 66.02 64.37 1rit s SER 207 CO 0.02 -0.37 0.58 0.00 1.20 0.00 0.00 173.24 174.67 1rit s ALA 208 N -2.44 -1.49 0.19 5.45 0.00 -0.89 -1.64 121.76 120.93 1rit s ALA 208 Ca -0.03 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.09 1rit s ALA 208 Cb -0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 1rit s ALA 208 CO -0.03 -0.33 0.22 -1.13 0.00 0.00 0.00 175.76 174.49 1rit n SER 209 N 1.30 -0.61 -3.64 0.00 3.41 -1.24 -2.17 113.62 110.68 1rit n SER 209 Ca -0.19 -2.12 -0.00 0.00 -0.26 0.00 0.00 58.87 56.30 1rit n SER 209 Cb 0.57 1.22 -0.01 0.00 -0.26 0.00 0.00 64.21 65.72 1rit n SER 209 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1rit s GLY 210 N -2.24 -0.37 0.00 5.00 0.00 -1.07 -1.03 107.32 107.61 1rit s GLY 210 Ca 0.19 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.60 1rit s GLY 210 CO 0.13 0.15 0.00 -1.14 0.00 0.00 0.00 173.10 172.24 1rit n SER 211 N -0.44 0.37 0.12 1.64 3.41 0.11 -1.75 113.62 117.07 1rit n SER 211 Ca -0.07 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.30 1rit n SER 211 Cb 0.62 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.42 1rit n SER 211 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1rit h LEU 212 N 0.00 0.75 0.00 1.04 6.46 -1.92 -3.23 115.31 118.41 1rit h LEU 212 Ca 0.00 -0.92 -0.02 0.00 -0.12 0.00 0.00 57.88 56.81 1rit h LEU 212 Cb 0.00 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 39.68 1rit h LEU 212 CO 0.00 1.75 -1.77 0.61 -0.62 0.00 0.00 178.44 178.41 1rit n GLY 213 N 1.78 -1.11 3.49 3.75 0.00 -1.26 -4.85 105.19 106.99 1rit n GLY 213 Ca -0.20 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 1rit n GLY 213 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rit s GLY 214 N -4.54 1.98 0.07 -0.02 0.00 -1.26 -1.81 107.32 101.74 1rit s GLY 214 Ca -0.06 -1.53 -0.19 0.00 0.00 0.00 0.00 44.72 42.94 1rit s GLY 214 CO 0.88 0.83 0.45 0.50 0.00 0.00 0.00 173.10 175.75 1rit s ARG 215 N 1.69 1.00 -0.16 2.90 0.52 0.23 0.07 118.95 125.19 1rit s ARG 215 Ca 0.05 -0.41 -0.34 0.00 -0.52 0.00 0.00 55.73 54.51 1rit s ARG 215 Cb -0.18 0.45 0.14 0.00 0.52 0.00 0.00 34.95 35.87 1rit s ARG 215 CO 0.10 -0.36 1.21 1.14 0.02 0.00 0.00 175.30 177.41 1rit s GLN 216 N -2.82 0.33 -0.14 3.54 -2.07 -1.19 -3.79 119.66 113.52 1rit s GLN 216 Ca -0.03 -0.13 -0.29 0.00 -1.82 0.00 0.00 55.36 53.08 1rit s GLN 216 Cb -0.00 0.14 -0.03 0.00 -1.09 0.00 0.00 33.01 32.04 1rit s GLN 216 CO -0.05 -0.14 1.38 0.42 -1.32 0.00 0.00 175.29 175.57 1rit s ILE 217 N -2.43 4.08 -0.31 3.63 1.01 -0.36 -4.91 121.20 121.91 1rit s ILE 217 Ca 0.10 1.30 -0.04 0.00 0.00 0.00 0.00 60.65 62.02 1rit s ILE 217 Cb -0.00 -3.85 0.04 0.00 0.01 0.00 0.00 42.46 38.66 1rit s ILE 217 CO -0.05 -0.12 0.04 -1.00 0.00 0.00 0.00 174.94 173.81 1rit s HIS 218 N 3.68 3.24 -0.05 3.97 3.76 -1.26 -2.07 115.29 126.57 1rit s HIS 218 Ca 0.60 -1.66 0.04 0.00 -0.15 0.00 0.00 55.06 53.89 1rit s HIS 218 Cb -0.25 -2.17 0.00 0.00 1.11 0.00 0.00 32.58 31.27 1rit s HIS 218 CO 0.19 -0.76 -0.16 -0.51 -0.85 0.00 0.00 174.74 172.64 1rit s LEU 219 N 1.32 1.87 -0.25 0.89 1.43 -0.27 -1.93 118.68 121.73 1rit s LEU 219 Ca -0.03 -0.34 -0.08 0.00 -1.03 0.00 0.00 54.13 52.64 1rit s LEU 219 Cb -0.19 -0.94 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 1rit s LEU 219 CO 0.00 0.13 0.09 -0.63 0.23 0.00 0.00 176.35 176.17 1rit s ILE 220 N 0.18 4.53 -0.18 -0.59 -1.09 -0.83 -0.44 121.20 122.77 1rit s ILE 220 Ca -0.07 -0.10 -0.15 0.00 -2.23 0.00 0.00 60.65 58.11 1rit s ILE 220 Cb -0.12 -3.12 -0.21 0.00 -1.58 0.00 0.00 42.46 37.42 1rit s ILE 220 CO 0.03 0.33 0.21 0.54 -1.23 0.00 0.00 174.94 174.82 1rit n ARG 221 N 4.90 0.64 -3.73 2.79 1.74 0.47 -2.40 116.66 121.07 1rit n ARG 221 Ca -0.16 0.42 -0.10 0.00 -0.77 0.00 0.00 57.85 57.24 1rit n ARG 221 Cb 0.52 -1.71 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 1rit n ARG 221 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1rit s SER 222 N -6.96 -0.11 -0.29 0.55 1.04 -1.21 -4.31 113.70 102.41 1rit s SER 222 Ca -0.27 -0.35 -0.14 0.00 0.48 0.00 0.00 55.95 55.67 1rit s SER 222 Cb 0.07 0.40 0.11 0.00 0.10 0.00 0.00 66.02 66.70 1rit s SER 222 CO 0.65 -0.74 0.70 0.86 0.98 0.00 0.00 173.24 175.68 1rit s TRP 223 N -3.39 -1.15 0.01 5.02 -0.00 -0.35 -2.38 118.94 116.70 1rit s TRP 223 Ca 0.01 2.15 0.05 0.00 -0.00 0.00 0.00 56.10 58.31 1rit s TRP 223 Cb 0.02 0.69 -0.02 0.00 -0.00 0.00 0.00 33.47 34.16 1rit s TRP 223 CO -0.09 -0.57 -0.17 -1.54 -0.00 0.00 0.00 176.95 174.58 1rit s SER 224 N 2.15 2.00 0.03 5.86 1.04 -0.92 0.96 113.70 124.82 1rit s SER 224 Ca -0.08 -0.36 -0.03 0.00 0.48 0.00 0.00 55.95 55.96 1rit s SER 224 Cb -0.08 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.82 1rit s SER 224 CO -0.19 0.17 0.02 0.12 0.98 0.00 0.00 173.24 174.34 1rit s PHE 225 N -0.53 0.29 -0.30 5.02 2.19 -0.32 -1.97 117.98 122.36 1rit s PHE 225 Ca 0.06 -0.64 -0.01 0.00 0.33 0.00 0.00 56.93 56.67 1rit s PHE 225 Cb -0.07 -0.22 0.19 0.00 -1.31 0.00 0.00 43.02 41.61 1rit s PHE 225 CO 0.00 -0.30 0.61 0.99 1.83 0.00 0.00 175.22 178.35 1rit s THR 226 N -2.47 -0.99 0.12 0.12 2.01 -1.04 -1.25 115.64 112.15 1rit s THR 226 Ca -0.06 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.01 1rit s THR 226 Cb -0.02 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 1rit s THR 226 CO -0.04 0.00 -0.07 -0.94 -0.69 0.00 0.00 174.62 172.87 1rit s SER 227 N 2.86 4.52 -0.12 3.53 1.04 0.24 -1.76 113.70 124.01 1rit s SER 227 Ca 0.20 -0.37 -0.04 0.00 0.48 0.00 0.00 55.95 56.22 1rit s SER 227 Cb -0.15 -0.90 0.06 0.00 0.10 0.00 0.00 66.02 65.13 1rit s SER 227 CO -0.21 0.16 0.20 -0.89 0.98 0.00 0.00 173.24 173.48 1rit s THR 228 N -1.33 -0.31 -0.24 2.02 2.01 -0.04 -0.22 115.64 117.53 1rit s THR 228 Ca 0.23 0.22 -0.06 0.00 0.31 0.00 0.00 61.69 62.39 1rit s THR 228 Cb -0.11 -0.43 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 1rit s THR 228 CO 0.15 0.05 0.03 -0.22 -0.69 0.00 0.00 174.62 173.94 1rit s LEU 229 N 2.33 3.28 0.05 4.42 2.96 -0.18 -2.19 118.68 129.35 1rit s LEU 229 Ca 0.03 -0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 53.34 1rit s LEU 229 Cb -0.13 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.65 1rit s LEU 229 CO -0.08 -0.04 1.16 -0.63 -1.32 0.00 0.00 176.35 175.44 1rit s ILE 230 N 1.56 4.18 -0.73 6.68 1.01 -1.26 -0.38 121.20 132.26 1rit s ILE 230 Ca 0.06 1.56 0.02 0.00 0.00 0.00 0.00 60.65 62.29 1rit s ILE 230 Cb -0.15 -4.00 0.35 0.00 0.01 0.00 0.00 42.46 38.67 1rit s ILE 230 CO 0.01 0.12 1.45 0.35 0.00 0.00 0.00 174.94 176.87 1rit n THR 231 N 3.93 3.91 -1.08 2.92 -2.24 -1.26 -4.87 114.28 115.58 1rit n THR 231 Ca 0.08 -5.31 0.00 0.00 -2.27 0.00 0.00 64.05 56.55 1rit n THR 231 Cb 0.47 -1.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 1rit n THR 231 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57