#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3di2 n TYR 18 N 0.00 0.00 -1.50 2.11 4.02 -1.26 -4.95 117.16 115.58 3di2 n TYR 18 Ca 0.00 -0.45 -0.40 0.00 -0.01 0.00 0.00 57.90 57.04 3di2 n TYR 18 Cb 0.00 -0.05 0.02 0.00 -0.02 0.00 0.00 39.34 39.29 3di2 n TYR 18 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3di2 n SER 19 N -0.49 -0.35 -3.49 7.72 2.88 -1.26 -4.87 113.62 113.75 3di2 n SER 19 Ca 0.02 0.88 -0.12 0.00 -1.33 0.00 0.00 58.87 58.32 3di2 n SER 19 Cb 0.34 -1.20 -0.04 0.00 -0.75 0.00 0.00 64.21 62.57 3di2 n SER 19 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3di2 s PHE 20 N -1.50 0.65 -0.04 0.66 -0.12 -1.26 -1.94 117.98 114.44 3di2 s PHE 20 Ca 0.65 -1.00 -0.15 0.00 -0.05 0.00 0.00 56.93 56.38 3di2 s PHE 20 Cb -0.54 0.16 0.03 0.00 -0.63 0.00 0.00 43.02 42.04 3di2 s PHE 20 CO 0.56 -1.14 0.34 -1.54 -0.05 0.00 0.00 175.22 173.38 3di2 s SER 21 N -3.13 -0.25 0.17 1.98 1.04 -0.73 -4.87 113.70 107.92 3di2 s SER 21 Ca 0.25 0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.93 3di2 s SER 21 Cb -0.01 0.40 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 3di2 s SER 21 CO 0.15 -0.40 -0.01 0.00 0.98 0.00 0.00 173.24 173.95 3di2 s TYR 23 N -3.62 -0.20 0.23 0.00 1.13 -0.19 -4.94 117.35 109.77 3di2 s TYR 23 Ca 0.23 0.49 0.05 0.00 -1.41 0.00 0.00 57.07 56.43 3di2 s TYR 23 Cb 0.06 0.03 -0.03 0.00 -1.10 0.00 0.00 41.96 40.92 3di2 s TYR 23 CO 0.04 -0.12 0.34 -1.54 -2.51 0.00 0.00 175.55 171.75 3di2 s SER 24 N 0.42 6.26 -0.14 -0.18 1.04 0.26 -1.59 113.70 119.77 3di2 s SER 24 Ca -0.03 0.06 -0.03 0.00 0.48 0.00 0.00 55.95 56.43 3di2 s SER 24 Cb -0.04 -1.83 0.05 0.00 0.10 0.00 0.00 66.02 64.30 3di2 s SER 24 CO -0.02 -0.05 0.06 -1.10 0.98 0.00 0.00 173.24 173.11 3di2 s GLN 25 N -3.87 0.25 -0.09 4.02 -0.21 0.12 -0.80 119.66 119.09 3di2 s GLN 25 Ca 0.34 -0.05 -0.16 0.00 0.02 0.00 0.00 55.36 55.51 3di2 s GLN 25 Cb -0.09 -1.53 -0.05 0.00 1.00 0.00 0.00 33.01 32.34 3di2 s GLN 25 CO 0.29 -0.55 0.41 -0.51 -2.12 0.00 0.00 175.29 172.80 3di2 s LEU 26 N 2.05 4.34 -1.18 2.90 1.43 -1.26 -0.10 118.68 126.86 3di2 s LEU 26 Ca 0.02 0.79 -0.07 0.00 -1.03 0.00 0.00 54.13 53.84 3di2 s LEU 26 Cb -0.15 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.47 3di2 s LEU 26 CO -0.07 0.14 0.82 -0.62 0.23 0.00 0.00 176.35 176.85 3di2 n GLU 27 N 2.99 -3.42 0.05 1.70 1.02 -1.00 -4.90 120.64 117.07 3di2 n GLU 27 Ca -0.11 0.67 0.05 0.00 -0.02 0.00 0.00 57.16 57.75 3di2 n GLU 27 Cb 0.52 -5.18 -0.07 0.00 -0.02 0.00 0.00 31.44 26.70 3di2 n GLU 27 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 3di2 n VAL 28 N -3.94 0.89 -3.54 2.62 3.14 0.31 -4.53 118.33 113.28 3di2 n VAL 28 Ca -0.18 -0.63 -0.29 0.00 -2.96 0.00 0.00 64.34 60.28 3di2 n VAL 28 Cb 0.64 -0.52 -0.12 0.00 -1.06 0.00 0.00 33.84 32.79 3di2 n VAL 28 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 3di2 s ASN 29 N -5.50 2.91 1.45 6.55 3.04 -1.13 -5.02 114.94 117.24 3di2 s ASN 29 Ca -0.03 -2.57 0.00 0.00 0.04 0.00 0.00 52.86 50.30 3di2 s ASN 29 Cb 0.09 -0.64 0.00 0.00 -1.54 0.00 0.00 41.25 39.17 3di2 s ASN 29 CO 0.81 -0.26 0.00 0.61 -3.04 0.00 0.00 177.10 175.23 3di2 n GLY 30 N 3.55 1.86 1.13 1.21 0.00 -1.26 -1.44 105.19 110.24 3di2 n GLY 30 Ca 0.15 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.86 3di2 n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3di2 n SER 31 N 6.25 3.30 -4.80 1.61 3.41 -1.26 -4.44 113.62 117.70 3di2 n SER 31 Ca 0.00 -1.98 -0.36 0.00 -0.26 0.00 0.00 58.87 56.27 3di2 n SER 31 Cb 0.00 -0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 63.53 3di2 n SER 31 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3di2 s GLN 32 N -1.29 4.44 0.43 4.33 0.74 -0.52 -4.48 119.66 123.30 3di2 s GLN 32 Ca 0.41 1.13 0.08 0.00 0.05 0.00 0.00 55.36 57.03 3di2 s GLN 32 Cb 0.22 -2.81 -0.02 0.00 1.10 0.00 0.00 33.01 31.50 3di2 s GLN 32 CO 0.30 0.32 0.38 -1.01 -0.55 0.00 0.00 175.29 174.73 3di2 s HIS 33 N -1.60 2.61 -0.08 1.67 3.76 0.16 -0.53 115.29 121.28 3di2 s HIS 33 Ca 0.48 -0.52 -0.06 0.00 -0.15 0.00 0.00 55.06 54.80 3di2 s HIS 33 Cb -0.18 -2.15 0.02 0.00 1.11 0.00 0.00 32.58 31.39 3di2 s HIS 33 CO 0.22 -0.16 0.20 -1.54 -0.85 0.00 0.00 174.74 172.61 3di2 s SER 34 N -4.14 -0.20 -0.05 1.40 1.04 0.85 -1.64 113.70 110.95 3di2 s SER 34 Ca 0.47 0.40 0.06 0.00 0.48 0.00 0.00 55.95 57.36 3di2 s SER 34 Cb -0.03 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 3di2 s SER 34 CO 0.27 -0.08 -0.22 -0.22 0.98 0.00 0.00 173.24 173.97 3di2 s LEU 35 N 0.27 2.26 -0.05 2.42 2.96 -0.41 0.12 118.68 126.24 3di2 s LEU 35 Ca -0.01 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 3di2 s LEU 35 Cb -0.03 -1.42 0.02 0.00 0.50 0.00 0.00 46.19 45.26 3di2 s LEU 35 CO -0.01 0.28 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.39 3di2 s THR 36 N -0.38 0.46 0.12 3.68 2.01 -0.62 -1.02 115.64 119.89 3di2 s THR 36 Ca 0.03 -0.03 0.07 0.00 0.31 0.00 0.00 61.69 62.07 3di2 s THR 36 Cb -0.12 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 3di2 s THR 36 CO 0.02 0.23 -0.16 0.00 -0.69 0.00 0.00 174.62 174.01 3di2 s ALA 38 N -1.85 -1.35 0.46 0.00 0.00 -0.81 -1.04 121.76 117.16 3di2 s ALA 38 Ca 0.09 0.91 -0.22 0.00 0.00 0.00 0.00 51.96 52.75 3di2 s ALA 38 Cb -0.07 0.01 -0.08 0.00 0.00 0.00 0.00 23.12 22.99 3di2 s ALA 38 CO 0.04 -0.32 1.06 -0.06 0.00 0.00 0.00 175.76 176.48 3di2 s PHE 39 N -1.22 3.05 0.10 0.00 0.08 -1.26 -1.77 117.98 116.96 3di2 s PHE 39 Ca -0.12 1.59 0.11 0.00 0.12 0.00 0.00 56.93 58.64 3di2 s PHE 39 Cb -0.02 -3.13 0.11 0.00 -0.57 0.00 0.00 43.02 39.41 3di2 s PHE 39 CO 0.07 -0.87 1.46 0.93 -0.10 0.00 0.00 175.22 176.71 3di2 h GLU 40 N 1.88 0.00 -5.44 0.44 5.08 -1.72 -3.38 114.58 111.43 3di2 h GLU 40 Ca -0.49 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.23 3di2 h GLU 40 Cb 1.22 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.33 3di2 h GLU 40 CO 0.60 0.71 0.41 0.34 -1.00 0.00 0.00 179.01 180.07 3di2 s ASP 41 N -6.64 6.25 0.41 1.42 2.15 -1.26 -4.89 116.67 114.11 3di2 s ASP 41 Ca 0.01 -0.76 0.26 0.00 0.43 0.00 0.00 52.55 52.49 3di2 s ASP 41 Cb 0.10 -2.39 1.43 0.00 -0.30 0.00 0.00 42.92 41.77 3di2 s ASP 41 CO 0.77 -1.21 1.80 1.55 -0.17 0.00 0.00 175.17 177.90 3di2 h PRO 42 N 9.32 0.00 -0.40 4.34 0.13 -2.00 -2.14 132.00 141.25 3di2 h PRO 42 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3di2 h PRO 42 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3di2 h PRO 42 CO 1.09 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.61 3di2 n ASP 43 N -2.44 3.13 -4.78 1.44 8.00 -1.26 -4.96 116.55 115.69 3di2 n ASP 43 Ca -0.02 -1.95 -0.41 0.00 0.71 0.00 0.00 54.79 53.13 3di2 n ASP 43 Cb 0.08 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 3di2 n ASP 43 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3di2 s VAL 44 N -1.48 2.11 -0.49 2.53 1.01 -0.81 -4.92 120.40 118.36 3di2 s VAL 44 Ca 0.38 0.11 -0.28 0.00 0.00 0.00 0.00 61.98 62.19 3di2 s VAL 44 Cb 0.22 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.54 3di2 s VAL 44 CO 0.30 0.02 1.39 0.21 0.00 0.00 0.00 175.10 177.03 3di2 s ASN 45 N -0.24 6.26 -0.78 3.32 3.04 -1.26 -4.94 114.94 120.34 3di2 s ASN 45 Ca 0.54 0.54 0.02 0.00 0.04 0.00 0.00 52.86 54.00 3di2 s ASN 45 Cb -0.45 -2.54 0.34 0.00 -1.54 0.00 0.00 41.25 37.05 3di2 s ASN 45 CO 0.61 -1.55 1.41 0.35 -3.04 0.00 0.00 177.10 174.87 3di2 n THR 46 N 6.97 4.40 -0.50 -5.21 -2.24 -1.26 -4.58 114.28 111.85 3di2 n THR 46 Ca 0.14 -5.65 0.03 0.00 -2.27 0.00 0.00 64.05 56.30 3di2 n THR 46 Cb 0.49 -1.45 0.04 0.00 -2.10 0.00 0.00 70.33 67.31 3di2 n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3di2 n THR 47 N -0.20 1.15 -0.17 4.28 -2.24 -1.26 -4.58 114.28 111.26 3di2 n THR 47 Ca 0.40 -1.26 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 3di2 n THR 47 Cb 0.34 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 3di2 n THR 47 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3di2 n ASN 48 N -0.72 0.00 -4.79 3.42 5.03 -1.26 -5.11 115.26 111.83 3di2 n ASN 48 Ca 0.05 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.13 3di2 n ASN 48 Cb 0.41 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.11 3di2 n ASN 48 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3di2 s LEU 49 N 0.00 4.38 0.02 3.41 1.43 -1.26 -3.77 118.68 122.88 3di2 s LEU 49 Ca 0.00 1.73 0.03 0.00 -1.03 0.00 0.00 54.13 54.85 3di2 s LEU 49 Cb 0.00 -3.84 -0.01 0.00 0.03 0.00 0.00 46.19 42.37 3di2 s LEU 49 CO 0.00 -0.01 -0.08 -1.61 0.23 0.00 0.00 176.35 174.88 3di2 s GLU 50 N -1.92 0.60 -0.09 1.70 0.41 0.27 -4.98 118.70 114.69 3di2 s GLU 50 Ca 0.47 -0.47 0.01 0.00 -0.41 0.00 0.00 54.97 54.57 3di2 s GLU 50 Cb -0.19 -0.53 -0.02 0.00 -1.78 0.00 0.00 34.13 31.61 3di2 s GLU 50 CO 0.24 0.13 -0.11 -0.06 -0.49 0.00 0.00 175.26 174.96 3di2 s PHE 51 N -0.61 2.81 -0.03 1.61 0.08 -1.26 0.19 117.98 120.77 3di2 s PHE 51 Ca -0.01 -0.28 -0.06 0.00 0.12 0.00 0.00 56.93 56.70 3di2 s PHE 51 Cb -0.06 -1.74 0.01 0.00 -0.57 0.00 0.00 43.02 40.66 3di2 s PHE 51 CO 0.00 0.08 0.13 -2.00 -0.10 0.00 0.00 175.22 173.33 3di2 s GLU 52 N -0.32 0.30 -0.06 0.44 2.12 -0.40 -1.74 118.70 119.04 3di2 s GLU 52 Ca 0.03 -0.07 0.05 0.00 0.36 0.00 0.00 54.97 55.35 3di2 s GLU 52 Cb -0.13 0.13 -0.01 0.00 0.26 0.00 0.00 34.13 34.39 3di2 s GLU 52 CO 0.02 -0.06 -0.22 -1.50 -0.54 0.00 0.00 175.26 172.96 3di2 s ILE 53 N -0.56 1.85 -0.00 -3.70 2.07 -0.39 0.04 121.20 120.51 3di2 s ILE 53 Ca -0.06 -0.94 0.03 0.00 -1.41 0.00 0.00 60.65 58.26 3di2 s ILE 53 Cb -0.04 -1.58 -0.01 0.00 0.13 0.00 0.00 42.46 40.96 3di2 s ILE 53 CO 0.01 0.52 -0.09 0.00 -1.91 0.00 0.00 174.94 173.46 3di2 n GLY 55 N 2.72 1.67 2.41 0.00 0.00 -1.03 0.30 105.19 111.26 3di2 n GLY 55 Ca -0.14 -1.71 -0.19 0.00 0.00 0.00 0.00 46.02 43.98 3di2 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3di2 n ALA 56 N 1.62 -0.60 -2.51 4.61 0.00 -1.26 -4.65 120.51 117.73 3di2 n ALA 56 Ca 0.00 0.18 -0.28 0.00 0.00 0.00 0.00 53.44 53.34 3di2 n ALA 56 Cb 0.00 -2.00 -0.05 0.00 0.00 0.00 0.00 19.45 17.41 3di2 n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3di2 s LEU 57 N -5.69 2.70 0.00 0.00 1.43 -1.26 0.16 118.68 116.02 3di2 s LEU 57 Ca 0.00 -1.32 0.00 0.00 -1.03 0.00 0.00 54.13 51.78 3di2 s LEU 57 Cb 0.00 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 45.09 3di2 s LEU 57 CO 0.00 -0.87 0.00 1.33 0.23 0.00 0.00 176.35 177.04 3di2 n VAL 58 N -1.47 0.00 -0.22 -1.59 0.24 -0.72 -4.68 118.33 109.89 3di2 n VAL 58 Ca -0.07 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.32 3di2 n VAL 58 Cb 0.65 -0.58 0.36 0.00 -1.47 0.00 0.00 33.84 32.80 3di2 n VAL 58 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3di2 h GLU 59 N 0.00 0.72 -5.97 7.34 4.22 -1.98 -3.43 114.58 115.48 3di2 h GLU 59 Ca 0.00 -0.04 -0.58 0.00 0.08 0.00 0.00 59.36 58.82 3di2 h GLU 59 Cb 0.00 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 3di2 h GLU 59 CO 0.00 0.48 -0.30 0.14 -2.18 0.00 0.00 179.01 177.15 3di2 s VAL 60 N -5.68 1.71 -0.23 0.32 -7.23 -1.26 -5.08 120.40 102.96 3di2 s VAL 60 Ca -0.10 -1.46 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 3di2 s VAL 60 Cb 0.20 -2.18 -0.15 0.00 0.56 0.00 0.00 36.38 34.82 3di2 s VAL 60 CO 0.78 0.00 -0.21 1.17 -0.31 0.00 0.00 175.10 176.53 3di2 n LYS 61 N -1.78 0.57 -4.11 4.82 3.00 -1.26 -4.70 118.16 114.70 3di2 n LYS 61 Ca -0.01 0.14 -0.09 0.00 -0.00 0.00 0.00 58.31 58.36 3di2 n LYS 61 Cb 0.64 -1.45 -0.10 0.00 0.00 0.00 0.00 35.03 34.12 3di2 n LYS 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3di2 s LEU 63 N -3.00 2.12 -0.22 0.00 1.43 0.15 -4.97 118.68 114.20 3di2 s LEU 63 Ca 0.17 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 52.82 3di2 s LEU 63 Cb 0.07 -0.47 -0.05 0.00 0.03 0.00 0.00 46.19 45.78 3di2 s LEU 63 CO -0.03 0.02 0.14 0.20 0.23 0.00 0.00 176.35 176.92 3di2 s ASN 64 N -0.83 6.14 1.11 2.29 0.01 -1.26 -1.26 114.94 121.13 3di2 s ASN 64 Ca 0.00 0.17 -0.16 0.00 -0.71 0.00 0.00 52.86 52.16 3di2 s ASN 64 Cb -0.06 -2.09 0.24 0.00 0.41 0.00 0.00 41.25 39.75 3di2 s ASN 64 CO 0.00 0.13 1.11 -0.36 -1.51 0.00 0.00 177.10 176.48 3di2 s PHE 65 N 0.66 1.22 -0.16 2.20 0.40 -0.71 -4.92 117.98 116.66 3di2 s PHE 65 Ca 0.08 0.69 -0.00 0.00 -0.60 0.00 0.00 56.93 57.09 3di2 s PHE 65 Cb -0.12 -3.40 0.04 0.00 0.51 0.00 0.00 43.02 40.04 3di2 s PHE 65 CO 0.01 -3.43 -0.08 1.03 0.70 0.00 0.00 175.22 173.45 3di2 s ARG 66 N -5.24 1.70 0.17 0.44 0.52 -0.76 -4.88 118.95 110.89 3di2 s ARG 66 Ca 0.69 -0.53 -0.31 0.00 -0.52 0.00 0.00 55.73 55.06 3di2 s ARG 66 Cb -0.13 -2.01 -0.08 0.00 0.52 0.00 0.00 34.95 33.24 3di2 s ARG 66 CO 0.56 -0.37 1.36 0.21 0.02 0.00 0.00 175.30 177.09 3di2 s LYS 67 N 1.58 4.35 -0.44 3.54 2.20 -1.26 -1.99 119.74 127.71 3di2 s LYS 67 Ca 0.02 2.09 0.08 0.00 -0.36 0.00 0.00 55.97 57.79 3di2 s LYS 67 Cb -0.14 -3.21 0.26 0.00 -1.51 0.00 0.00 37.83 33.22 3di2 s LYS 67 CO -0.08 -0.35 0.58 1.28 -0.36 0.00 0.00 175.35 176.42 3di2 n LEU 68 N 3.21 1.00 0.00 5.43 4.77 0.36 -4.99 117.00 126.78 3di2 n LEU 68 Ca 0.09 -4.88 0.00 0.00 -0.03 0.00 0.00 56.01 51.19 3di2 n LEU 68 Cb 0.42 0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 3di2 n LEU 68 CO 0.58 2.08 0.00 0.00 -1.33 0.00 0.00 177.39 178.73 3di2 n GLN 69 N 1.21 0.00 0.02 3.23 6.02 -1.26 -3.84 117.38 122.76 3di2 n GLN 69 Ca 0.23 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.33 3di2 n GLN 69 Cb 0.51 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.71 3di2 n GLN 69 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3di2 n GLU 70 N 0.00 0.38 -4.21 -1.09 1.02 -1.26 -4.96 120.64 110.52 3di2 n GLU 70 Ca 0.00 -0.05 -0.31 0.00 -0.02 0.00 0.00 57.16 56.78 3di2 n GLU 70 Cb 0.00 -1.58 -0.09 0.00 -0.02 0.00 0.00 31.44 29.76 3di2 n GLU 70 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3di2 s ILE 71 N -3.27 3.93 -0.05 -3.67 -5.25 -1.25 -4.66 121.20 106.99 3di2 s ILE 71 Ca 0.01 -0.91 -0.00 0.00 -0.99 0.00 0.00 60.65 58.75 3di2 s ILE 71 Cb 0.14 -2.83 -0.03 0.00 2.95 0.00 0.00 42.46 42.69 3di2 s ILE 71 CO 0.84 0.20 -0.01 -0.31 -1.79 0.00 0.00 174.94 173.88 3di2 s TYR 72 N -1.22 3.10 -0.02 1.37 1.51 -0.21 -0.49 117.35 121.40 3di2 s TYR 72 Ca 0.23 0.13 -0.26 0.00 -1.01 0.00 0.00 57.07 56.16 3di2 s TYR 72 Cb -0.12 -1.73 0.06 0.00 -0.11 0.00 0.00 41.96 40.06 3di2 s TYR 72 CO 0.15 0.45 0.58 -0.59 -1.11 0.00 0.00 175.55 175.03 3di2 s PHE 73 N -0.96 -0.52 0.04 2.71 -0.00 -0.84 -0.88 117.98 117.52 3di2 s PHE 73 Ca 0.16 0.83 0.08 0.00 -0.00 0.00 0.00 56.93 57.99 3di2 s PHE 73 Cb -0.11 0.34 -0.03 0.00 -0.00 0.00 0.00 43.02 43.22 3di2 s PHE 73 CO 0.05 -0.58 -0.23 0.42 -0.00 0.00 0.00 175.22 174.89 3di2 s ILE 74 N -1.52 1.84 -0.24 -4.49 1.01 -0.19 -1.84 121.20 115.78 3di2 s ILE 74 Ca -0.10 -1.26 -0.01 0.00 0.00 0.00 0.00 60.65 59.28 3di2 s ILE 74 Cb -0.01 -1.58 0.07 0.00 0.01 0.00 0.00 42.46 40.94 3di2 s ILE 74 CO 0.06 0.27 0.02 -1.61 0.00 0.00 0.00 174.94 173.67 3di2 s GLU 75 N -1.19 1.06 0.34 2.79 2.02 -1.26 -1.29 118.70 121.17 3di2 s GLU 75 Ca 0.09 -0.83 -0.03 0.00 0.02 0.00 0.00 54.97 54.22 3di2 s GLU 75 Cb -0.09 -2.31 0.01 0.00 0.10 0.00 0.00 34.13 31.83 3di2 s GLU 75 CO 0.02 -0.71 0.49 -0.08 0.02 0.00 0.00 175.26 175.00 3di2 s THR 76 N 1.60 0.00 0.00 3.63 -1.32 -0.65 -4.94 115.64 113.96 3di2 s THR 76 Ca -0.00 -1.56 0.00 0.00 -1.21 0.00 0.00 61.69 58.92 3di2 s THR 76 Cb -0.18 -2.65 0.00 0.00 -1.51 0.00 0.00 72.50 68.17 3di2 s THR 76 CO -0.11 0.00 0.56 0.29 -2.21 0.00 0.00 174.62 173.15 3di2 n LYS 77 N -0.56 -0.01 -0.12 7.08 5.02 -1.26 0.37 118.16 128.67 3di2 n LYS 77 Ca 0.00 -0.67 0.01 0.00 -2.02 0.00 0.00 58.31 55.64 3di2 n LYS 77 Cb 0.61 -0.94 0.06 0.00 -0.02 0.00 0.00 35.03 34.75 3di2 n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3di2 n LYS 78 N -0.11 1.55 -3.18 1.97 5.02 -1.26 -4.84 118.16 117.31 3di2 n LYS 78 Ca 0.00 -0.50 -0.39 0.00 -2.02 0.00 0.00 58.31 55.40 3di2 n LYS 78 Cb 0.09 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.57 3di2 n LYS 78 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3di2 s PHE 79 N -1.44 3.61 0.11 2.13 0.08 -1.26 -1.75 117.98 119.46 3di2 s PHE 79 Ca 0.09 1.14 -0.05 0.00 0.12 0.00 0.00 56.93 58.23 3di2 s PHE 79 Cb 0.06 -2.66 -0.16 0.00 -0.57 0.00 0.00 43.02 39.69 3di2 s PHE 79 CO 0.03 0.22 1.25 1.25 -0.10 0.00 0.00 175.22 177.87 3di2 h LEU 80 N 6.28 0.53 0.73 -0.37 5.85 -0.56 -3.47 115.31 124.30 3di2 h LEU 80 Ca -0.43 -0.47 -0.17 0.00 0.84 0.00 0.00 57.88 57.66 3di2 h LEU 80 Cb 1.19 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 3di2 h LEU 80 CO 0.73 1.29 -0.18 0.18 -0.34 0.00 0.00 178.44 180.12 3di2 n LEU 81 N -3.70 -0.93 -3.64 2.25 4.77 -1.26 -5.01 117.00 109.48 3di2 n LEU 81 Ca -0.08 0.12 -0.25 0.00 -0.03 0.00 0.00 56.01 55.77 3di2 n LEU 81 Cb 0.90 -1.46 -0.17 0.00 -2.33 0.00 0.00 43.42 40.36 3di2 n LEU 81 CO 0.52 -0.29 -0.34 -0.63 -1.33 0.00 0.00 177.39 175.33 3di2 s ILE 82 N -2.35 -0.01 0.00 -0.08 1.01 -1.26 -4.87 121.20 113.64 3di2 s ILE 82 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.57 3di2 s ILE 82 Cb 0.00 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 41.93 3di2 s ILE 82 CO 0.00 -0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.38 3di2 n GLY 83 N 5.25 0.97 3.82 6.18 0.00 -1.26 -4.78 105.19 115.38 3di2 n GLY 83 Ca -0.06 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 3di2 n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3di2 s LYS 84 N -2.85 3.47 0.36 1.61 1.02 -1.26 -4.62 119.74 117.47 3di2 s LYS 84 Ca 0.00 1.06 0.09 0.00 0.02 0.00 0.00 55.97 57.14 3di2 s LYS 84 Cb 0.00 -2.06 -0.07 0.00 -0.52 0.00 0.00 37.83 35.18 3di2 s LYS 84 CO 0.00 -0.68 -0.07 -1.12 -0.92 0.00 0.00 175.35 172.57 3di2 s SER 85 N -3.12 3.75 -0.30 2.83 0.01 0.30 -4.21 113.70 112.96 3di2 s SER 85 Ca 0.61 -1.24 0.03 0.00 1.31 0.00 0.00 55.95 56.66 3di2 s SER 85 Cb -0.14 -0.36 0.08 0.00 0.21 0.00 0.00 66.02 65.81 3di2 s SER 85 CO 0.39 -0.27 -0.04 0.21 0.41 0.00 0.00 173.24 173.94 3di2 s ASN 86 N -3.63 4.58 -0.14 2.44 2.47 0.15 -1.42 114.94 119.39 3di2 s ASN 86 Ca 0.33 -1.74 -0.14 0.00 0.42 0.00 0.00 52.86 51.73 3di2 s ASN 86 Cb 0.04 -1.58 -0.05 0.00 -1.45 0.00 0.00 41.25 38.22 3di2 s ASN 86 CO 0.17 -0.28 0.31 -0.63 -3.72 0.00 0.00 177.10 172.95 3di2 s ILE 87 N 1.02 5.28 0.02 -5.21 1.01 -0.72 -1.09 121.20 121.51 3di2 s ILE 87 Ca 0.00 0.60 0.05 0.00 0.00 0.00 0.00 60.65 61.30 3di2 s ILE 87 Cb -0.20 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 3di2 s ILE 87 CO -0.07 0.41 -0.16 0.00 0.00 0.00 0.00 174.94 175.12 3di2 s VAL 89 N -0.62 5.09 0.10 0.00 1.01 0.44 -1.27 120.40 125.15 3di2 s VAL 89 Ca 0.05 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 3di2 s VAL 89 Cb -0.07 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 3di2 s VAL 89 CO 0.01 -0.76 0.28 -0.54 0.00 0.00 0.00 175.10 174.08 3di2 s LYS 90 N 2.00 3.49 -0.39 2.72 1.02 0.52 -1.50 119.74 127.60 3di2 s LYS 90 Ca 0.07 -0.37 0.03 0.00 0.02 0.00 0.00 55.97 55.73 3di2 s LYS 90 Cb -0.24 -2.97 0.11 0.00 -0.52 0.00 0.00 37.83 34.21 3di2 s LYS 90 CO 0.07 0.54 0.13 0.54 -0.92 0.00 0.00 175.35 175.71 3di2 s VAL 91 N -1.61 2.10 0.00 3.17 0.11 -0.54 0.96 120.40 124.59 3di2 s VAL 91 Ca 0.37 -2.50 0.00 0.00 -2.93 0.00 0.00 61.98 56.92 3di2 s VAL 91 Cb -0.12 -2.52 0.00 0.00 -1.53 0.00 0.00 36.38 32.20 3di2 s VAL 91 CO 0.27 -0.69 0.00 0.61 -3.33 0.00 0.00 175.10 171.97 3di2 n GLY 92 N 3.97 1.51 0.00 6.54 0.00 -1.25 -1.87 105.19 114.09 3di2 n GLY 92 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3di2 n GLY 92 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3di2 n GLU 93 N 0.00 0.00 -3.26 1.61 -0.58 -1.26 -5.08 120.64 112.07 3di2 n GLU 93 Ca 0.00 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 3di2 n GLU 93 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 3di2 n GLU 93 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3di2 s LYS 94 N 0.00 4.32 -1.01 3.49 3.01 -0.78 -5.00 119.74 123.76 3di2 s LYS 94 Ca 0.00 0.59 -0.21 0.00 -1.01 0.00 0.00 55.97 55.34 3di2 s LYS 94 Cb 0.00 -3.40 0.08 0.00 -1.01 0.00 0.00 37.83 33.50 3di2 s LYS 94 CO 0.00 0.24 1.37 0.45 0.51 0.00 0.00 175.35 177.92 3di2 s SER 95 N 0.30 6.58 0.29 2.83 0.15 -1.26 -1.47 113.70 121.12 3di2 s SER 95 Ca 0.29 -1.73 0.01 0.00 0.70 0.00 0.00 55.95 55.21 3di2 s SER 95 Cb -0.16 -2.51 0.54 0.00 -1.71 0.00 0.00 66.02 62.17 3di2 s SER 95 CO 0.14 -1.33 1.88 -0.07 1.20 0.00 0.00 173.24 175.05 3di2 h LEU 96 N 11.97 0.92 -7.00 3.45 3.38 -1.62 -3.45 115.31 122.96 3di2 h LEU 96 Ca 0.21 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.34 3di2 h LEU 96 Cb 1.00 -0.17 -0.21 0.00 0.09 0.00 0.00 40.66 41.37 3di2 h LEU 96 CO 1.33 0.55 0.65 0.28 0.09 0.00 0.00 178.44 181.34 3di2 s THR 97 N -5.93 0.00 0.04 0.22 -1.32 -1.20 -5.01 115.64 102.45 3di2 s THR 97 Ca -0.12 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.23 3di2 s THR 97 Cb 0.21 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.22 3di2 s THR 97 CO 0.80 0.00 0.29 0.00 -2.21 0.00 0.00 174.62 173.51 3di2 s LYS 99 N -2.52 0.61 -0.51 0.00 1.02 -0.35 -4.99 119.74 113.01 3di2 s LYS 99 Ca -0.05 -0.83 -0.12 0.00 0.02 0.00 0.00 55.97 54.98 3di2 s LYS 99 Cb -0.01 -0.42 0.13 0.00 -0.52 0.00 0.00 37.83 37.01 3di2 s LYS 99 CO -0.03 0.08 0.42 0.15 -0.92 0.00 0.00 175.35 175.04 3di2 s LYS 100 N -1.73 2.70 0.10 1.68 1.02 -1.26 -1.75 119.74 120.51 3di2 s LYS 100 Ca -0.07 -1.76 0.06 0.00 0.02 0.00 0.00 55.97 54.22 3di2 s LYS 100 Cb -0.09 -4.09 -0.04 0.00 -0.52 0.00 0.00 37.83 33.09 3di2 s LYS 100 CO 0.01 -1.25 -0.05 0.42 -0.92 0.00 0.00 175.35 173.55 3di2 s ILE 101 N 1.43 3.69 -0.53 2.17 1.01 -0.51 -4.80 121.20 123.67 3di2 s ILE 101 Ca 0.05 -1.14 -0.11 0.00 0.00 0.00 0.00 60.65 59.45 3di2 s ILE 101 Cb -0.28 -2.75 0.13 0.00 0.01 0.00 0.00 42.46 39.58 3di2 s ILE 101 CO 0.01 0.11 0.43 -0.62 0.00 0.00 0.00 174.94 174.87 3di2 s ASP 102 N -2.28 5.92 0.33 3.58 2.15 -1.26 0.11 116.67 125.21 3di2 s ASP 102 Ca 0.24 -2.00 0.01 0.00 0.43 0.00 0.00 52.55 51.23 3di2 s ASP 102 Cb -0.11 -2.08 0.07 0.00 -0.30 0.00 0.00 42.92 40.50 3di2 s ASP 102 CO 0.16 -0.72 0.80 0.18 -0.17 0.00 0.00 175.17 175.43 3di2 n LEU 103 N 4.85 0.03 -0.37 -1.34 4.77 -1.26 0.15 117.00 123.83 3di2 n LEU 103 Ca -0.07 0.28 0.14 0.00 -0.03 0.00 0.00 56.01 56.33 3di2 n LEU 103 Cb 0.41 -0.05 0.47 0.00 -2.33 0.00 0.00 43.42 41.92 3di2 n LEU 103 CO 0.45 -0.29 0.78 0.35 -1.33 0.00 0.00 177.39 177.35 3di2 n THR 104 N -1.77 0.00 0.43 -5.08 -2.24 -1.26 -3.90 114.28 100.46 3di2 n THR 104 Ca -0.00 -0.19 0.05 0.00 -2.27 0.00 0.00 64.05 61.64 3di2 n THR 104 Cb 0.71 0.43 0.03 0.00 -2.10 0.00 0.00 70.33 69.40 3di2 n THR 104 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3di2 n THR 105 N -0.21 0.00 -2.20 4.28 -2.24 0.12 -1.79 114.28 112.25 3di2 n THR 105 Ca 0.16 -0.47 -0.20 0.00 -2.27 0.00 0.00 64.05 61.27 3di2 n THR 105 Cb 0.35 1.19 0.02 0.00 -2.10 0.00 0.00 70.33 69.79 3di2 n THR 105 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3di2 n ILE 106 N 0.34 2.30 -2.78 2.28 -5.35 -1.09 -2.56 119.36 112.50 3di2 n ILE 106 Ca 0.05 -4.06 -0.39 0.00 -0.27 0.00 0.00 62.75 58.09 3di2 n ILE 106 Cb 0.24 -0.74 -0.06 0.00 -1.74 0.00 0.00 39.64 37.34 3di2 n ILE 106 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3di2 s VAL 107 N -4.53 4.15 -0.24 7.28 1.01 -0.61 0.91 120.40 128.36 3di2 s VAL 107 Ca 0.47 1.95 0.01 0.00 0.00 0.00 0.00 61.98 64.41 3di2 s VAL 107 Cb 0.40 -4.19 0.06 0.00 0.00 0.00 0.00 36.38 32.65 3di2 s VAL 107 CO 0.01 0.35 -0.04 -0.75 0.00 0.00 0.00 175.10 174.67 3di2 s LYS 108 N -1.54 1.56 0.83 2.72 2.20 0.02 -0.70 119.74 124.83 3di2 s LYS 108 Ca 0.44 -1.04 -0.13 0.00 -0.36 0.00 0.00 55.97 54.89 3di2 s LYS 108 Cb -0.23 -2.59 0.10 0.00 -1.51 0.00 0.00 37.83 33.60 3di2 s LYS 108 CO 0.28 -0.64 1.20 -2.14 -0.36 0.00 0.00 175.35 173.69 3di2 s PRO 109 N 1.38 1.46 0.46 4.03 0.02 -1.26 -4.72 135.00 136.37 3di2 s PRO 109 Ca -0.04 1.73 -0.21 0.00 0.02 0.00 0.00 61.00 62.49 3di2 s PRO 109 Cb -0.19 -1.76 -0.09 0.00 0.02 0.00 0.00 34.50 32.49 3di2 s PRO 109 CO -0.07 -2.34 1.05 -1.21 -0.33 0.00 0.00 177.00 174.10 3di2 s GLU 110 N -4.24 3.90 0.42 5.54 2.02 -1.26 -4.38 118.70 120.70 3di2 s GLU 110 Ca 0.72 1.43 -0.25 0.00 0.02 0.00 0.00 54.97 56.89 3di2 s GLU 110 Cb -0.28 -2.24 -0.08 0.00 0.10 0.00 0.00 34.13 31.63 3di2 s GLU 110 CO 0.52 -0.36 1.28 0.00 0.02 0.00 0.00 175.26 176.72 3di2 s ALA 111 N -1.86 3.17 1.12 5.21 0.00 -1.26 -4.75 121.76 123.39 3di2 s ALA 111 Ca 0.64 1.18 -0.12 0.00 0.00 0.00 0.00 51.96 53.66 3di2 s ALA 111 Cb -0.19 -3.47 0.26 0.00 0.00 0.00 0.00 23.12 19.72 3di2 s ALA 111 CO 0.23 -0.82 1.05 -2.14 0.00 0.00 0.00 175.76 174.07 3di2 s PRO 112 N -2.37 -0.55 0.28 0.00 0.02 -1.26 -4.83 135.00 126.29 3di2 s PRO 112 Ca 0.59 0.84 -0.14 0.00 0.02 0.00 0.00 61.00 62.32 3di2 s PRO 112 Cb -0.36 -1.60 0.01 0.00 0.02 0.00 0.00 34.50 32.57 3di2 s PRO 112 CO 0.46 -3.48 0.56 -0.59 -0.33 0.00 0.00 177.00 173.62 3di2 s PHE 113 N -2.56 0.29 -1.29 6.54 -0.71 0.18 -4.53 117.98 115.89 3di2 s PHE 113 Ca 0.68 -0.69 -0.06 0.00 -1.04 0.00 0.00 56.93 55.81 3di2 s PHE 113 Cb -0.24 0.33 0.01 0.00 -1.21 0.00 0.00 43.02 41.91 3di2 s PHE 113 CO 0.63 -1.11 1.11 -0.25 -1.34 0.00 0.00 175.22 174.26 3di2 n ASP 114 N -0.59 -5.19 -4.71 1.98 8.00 -1.26 -0.23 116.55 114.55 3di2 n ASP 114 Ca -0.02 -0.55 -0.34 0.00 0.71 0.00 0.00 54.79 54.58 3di2 n ASP 114 Cb 0.61 -4.96 0.11 0.00 -0.02 0.00 0.00 41.12 36.86 3di2 n ASP 114 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3di2 s LEU 115 N -6.94 3.27 -0.30 0.64 0.20 -1.26 -4.34 118.68 109.94 3di2 s LEU 115 Ca 0.43 2.43 -0.14 0.00 0.69 0.00 0.00 54.13 57.54 3di2 s LEU 115 Cb -0.19 -4.60 0.17 0.00 -0.43 0.00 0.00 46.19 41.15 3di2 s LEU 115 CO 0.71 -2.46 0.99 -0.55 -0.29 0.00 0.00 176.35 174.76 3di2 s SER 116 N -1.95 -0.58 0.04 3.68 0.15 -0.25 -4.96 113.70 109.84 3di2 s SER 116 Ca 0.76 0.61 -0.10 0.00 0.70 0.00 0.00 55.95 57.92 3di2 s SER 116 Cb -0.31 1.59 -0.05 0.00 -1.71 0.00 0.00 66.02 65.53 3di2 s SER 116 CO 0.47 -0.11 0.37 -0.69 1.20 0.00 0.00 173.24 174.48 3di2 s VAL 117 N 2.62 5.13 -0.03 4.45 1.01 -1.26 -1.95 120.40 130.37 3di2 s VAL 117 Ca -0.00 0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 3di2 s VAL 117 Cb -0.08 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.70 3di2 s VAL 117 CO -0.16 0.38 0.05 -0.69 0.00 0.00 0.00 175.10 174.68 3di2 s VAL 118 N -1.30 -0.09 -0.26 2.92 1.01 -0.99 -4.94 120.40 116.75 3di2 s VAL 118 Ca 0.29 0.35 -0.21 0.00 0.00 0.00 0.00 61.98 62.40 3di2 s VAL 118 Cb -0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.10 3di2 s VAL 118 CO 0.16 0.14 0.68 -0.47 0.00 0.00 0.00 175.10 175.62 3di2 s TYR 119 N 1.74 3.28 -0.43 5.22 5.04 -1.26 0.42 117.35 131.36 3di2 s TYR 119 Ca -0.01 0.86 -0.18 0.00 -2.44 0.00 0.00 57.07 55.31 3di2 s TYR 119 Cb -0.12 -2.92 0.02 0.00 0.35 0.00 0.00 41.96 39.29 3di2 s TYR 119 CO -0.03 -0.37 0.48 1.03 -1.34 0.00 0.00 175.55 175.32 3di2 s ARG 120 N 2.62 3.13 0.18 4.97 0.52 -0.41 -4.97 118.95 124.98 3di2 s ARG 120 Ca 0.28 -0.67 -0.20 0.00 -0.52 0.00 0.00 55.73 54.62 3di2 s ARG 120 Cb -0.15 -3.96 0.11 0.00 0.52 0.00 0.00 34.95 31.46 3di2 s ARG 120 CO 0.09 -0.89 1.62 1.49 0.02 0.00 0.00 175.30 177.62 3di2 h GLU 121 N 8.76 -0.15 0.78 3.54 4.57 -1.96 -2.40 114.58 127.73 3di2 h GLU 121 Ca -0.26 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 57.89 3di2 h GLU 121 Cb 1.11 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3di2 h GLU 121 CO 0.82 -0.10 -0.43 0.78 -1.18 0.00 0.00 179.01 178.90 3di2 h GLY 122 N -0.15 -1.23 0.74 1.92 0.00 -1.96 -3.13 103.07 99.25 3di2 h GLY 122 Ca 0.21 0.48 0.00 0.00 0.00 0.00 0.00 47.33 48.02 3di2 h GLY 122 CO -0.54 -0.43 0.00 0.00 0.00 0.00 0.00 176.54 175.57 3di2 n ALA 123 N -2.63 2.19 -4.17 3.60 0.00 -1.21 -4.89 120.51 113.40 3di2 n ALA 123 Ca -0.14 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 52.88 3di2 n ALA 123 Cb 0.45 -1.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.62 3di2 n ALA 123 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3di2 n ASN 124 N -0.87 -0.66 -3.75 0.00 3.02 -0.91 -4.91 115.26 107.17 3di2 n ASN 124 Ca 0.11 -1.23 -0.10 0.00 -0.03 0.00 0.00 54.58 53.34 3di2 n ASN 124 Cb 0.05 -1.94 -0.06 0.00 -0.61 0.00 0.00 39.78 37.22 3di2 n ASN 124 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 3di2 s ASP 125 N -4.16 -0.09 -0.12 6.41 1.47 -1.23 -2.22 116.67 116.73 3di2 s ASP 125 Ca 0.13 -0.51 -0.02 0.00 1.18 0.00 0.00 52.55 53.33 3di2 s ASP 125 Cb -0.07 0.44 -0.03 0.00 -0.34 0.00 0.00 42.92 42.92 3di2 s ASP 125 CO 0.97 -0.84 -0.03 -0.36 0.68 0.00 0.00 175.17 175.59 3di2 s PHE 126 N -3.85 3.05 -0.41 2.11 0.08 0.70 -1.29 117.98 118.37 3di2 s PHE 126 Ca 0.06 -0.08 -0.07 0.00 0.12 0.00 0.00 56.93 56.95 3di2 s PHE 126 Cb 0.03 -1.87 0.08 0.00 -0.57 0.00 0.00 43.02 40.69 3di2 s PHE 126 CO -0.09 0.18 0.23 0.54 -0.10 0.00 0.00 175.22 175.98 3di2 s VAL 127 N -0.20 3.95 0.01 -0.44 0.11 0.17 -1.19 120.40 122.81 3di2 s VAL 127 Ca 0.04 -1.53 -0.26 0.00 -2.93 0.00 0.00 61.98 57.30 3di2 s VAL 127 Cb -0.13 -3.46 -0.05 0.00 -1.53 0.00 0.00 36.38 31.22 3di2 s VAL 127 CO 0.02 -0.51 0.80 -0.69 -3.33 0.00 0.00 175.10 171.38 3di2 s VAL 128 N 1.36 4.82 0.03 2.04 1.01 0.13 -2.34 120.40 127.45 3di2 s VAL 128 Ca 0.03 1.68 -0.06 0.00 0.00 0.00 0.00 61.98 63.63 3di2 s VAL 128 Cb -0.23 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 3di2 s VAL 128 CO 0.01 0.30 0.11 0.42 0.00 0.00 0.00 175.10 175.93 3di2 s THR 129 N 0.35 0.13 0.36 3.92 -4.23 -0.82 -0.01 115.64 115.34 3di2 s THR 129 Ca 0.41 -1.04 -0.08 0.00 -1.18 0.00 0.00 61.69 59.80 3di2 s THR 129 Cb -0.20 -0.84 0.03 0.00 1.34 0.00 0.00 72.50 72.82 3di2 s THR 129 CO 0.23 -0.57 0.61 0.72 -0.54 0.00 0.00 174.62 175.07 3di2 s PHE 130 N -2.48 0.65 0.14 3.99 -0.71 -0.81 -1.09 117.98 117.67 3di2 s PHE 130 Ca -0.06 -1.08 0.07 0.00 -1.04 0.00 0.00 56.93 54.82 3di2 s PHE 130 Cb -0.02 0.32 -0.04 0.00 -1.21 0.00 0.00 43.02 42.07 3di2 s PHE 130 CO -0.04 -1.33 -0.16 1.21 -1.34 0.00 0.00 175.22 173.57 3di2 s ASN 131 N -3.16 2.26 -0.10 1.98 3.84 0.68 -4.80 114.94 115.64 3di2 s ASN 131 Ca 0.24 -0.84 -0.04 0.00 0.21 0.00 0.00 52.86 52.43 3di2 s ASN 131 Cb -0.02 -0.10 0.05 0.00 -0.55 0.00 0.00 41.25 40.63 3di2 s ASN 131 CO 0.16 -0.11 0.20 0.28 -2.79 0.00 0.00 177.10 174.85 3di2 s THR 132 N -2.14 -0.27 -1.11 -5.21 -1.32 -1.26 -0.65 115.64 103.68 3di2 s THR 132 Ca 0.12 0.29 0.03 0.00 -1.21 0.00 0.00 61.69 60.92 3di2 s THR 132 Cb -0.05 -0.35 0.04 0.00 -1.51 0.00 0.00 72.50 70.63 3di2 s THR 132 CO 0.04 0.12 1.06 -1.54 -2.21 0.00 0.00 174.62 172.10 3di2 n SER 133 N 5.10 0.00 0.26 8.08 3.41 -1.26 -1.77 113.62 127.44 3di2 n SER 133 Ca -0.10 0.43 0.17 0.00 -0.26 0.00 0.00 58.87 59.12 3di2 n SER 133 Cb 0.50 -0.45 0.72 0.00 -0.26 0.00 0.00 64.21 64.73 3di2 n SER 133 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3di2 h HIS 134 N 0.00 0.00 -0.63 7.33 3.86 -1.93 -3.14 115.15 120.64 3di2 h HIS 134 Ca 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3di2 h HIS 134 Cb 0.05 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 3di2 h HIS 134 CO 0.00 0.00 0.41 -0.07 0.86 0.00 0.00 177.93 179.13 3di2 h LEU 135 N 0.00 0.69 -0.95 2.43 3.38 -1.65 -2.05 115.31 117.17 3di2 h LEU 135 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3di2 h LEU 135 Cb 0.42 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3di2 h LEU 135 CO 0.00 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.03 3di2 n GLN 136 N -4.67 1.61 -1.71 1.13 0.00 -1.19 -4.89 117.38 107.66 3di2 n GLN 136 Ca 0.05 -0.93 -0.31 0.00 0.00 0.00 0.00 57.00 55.81 3di2 n GLN 136 Cb 0.04 -1.30 0.03 0.00 0.00 0.00 0.00 30.24 29.01 3di2 n GLN 136 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3di2 s LYS 137 N -1.74 3.21 -0.07 2.61 1.02 -0.77 -5.00 119.74 119.00 3di2 s LYS 137 Ca 0.26 0.85 0.16 0.00 0.02 0.00 0.00 55.97 57.26 3di2 s LYS 137 Cb 0.13 -2.03 -0.22 0.00 -0.52 0.00 0.00 37.83 35.19 3di2 s LYS 137 CO 0.20 -0.87 0.48 1.63 -0.92 0.00 0.00 175.35 175.86 3di2 n LYS 138 N -2.97 0.65 0.00 1.68 4.76 -1.26 -4.65 118.16 116.37 3di2 n LYS 138 Ca 0.07 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 3di2 n LYS 138 Cb 0.54 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 3di2 n LYS 138 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3di2 n TYR 139 N -2.83 0.00 -2.65 2.13 4.01 -1.26 -4.75 117.16 111.81 3di2 n TYR 139 Ca -0.20 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.11 3di2 n TYR 139 Cb 0.99 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 40.01 3di2 n TYR 139 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3di2 s VAL 140 N -0.14 4.29 -1.29 -0.72 1.01 -1.26 -4.63 120.40 117.66 3di2 s VAL 140 Ca 0.00 -2.05 0.13 0.00 0.00 0.00 0.00 61.98 60.06 3di2 s VAL 140 Cb 0.00 -5.14 0.29 0.00 0.00 0.00 0.00 36.38 31.53 3di2 s VAL 140 CO 0.00 -1.95 1.20 2.29 0.00 0.00 0.00 175.10 176.64 3di2 n LYS 141 N 7.88 2.27 -4.00 2.72 2.85 -1.26 -4.81 118.16 123.81 3di2 n LYS 141 Ca 0.47 -1.92 -0.31 0.00 -1.05 0.00 0.00 58.31 55.50 3di2 n LYS 141 Cb 0.45 -1.31 -0.16 0.00 -0.65 0.00 0.00 35.03 33.37 3di2 n LYS 141 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3di2 s VAL 142 N -1.04 1.69 0.21 0.58 1.01 -1.26 -4.79 120.40 116.80 3di2 s VAL 142 Ca 0.25 -1.12 0.09 0.00 0.00 0.00 0.00 61.98 61.20 3di2 s VAL 142 Cb 0.14 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 3di2 s VAL 142 CO 0.18 0.11 -0.18 -0.76 0.00 0.00 0.00 175.10 174.45 3di2 s LEU 143 N 1.36 2.51 -0.32 3.92 1.43 -1.26 -1.34 118.68 124.98 3di2 s LEU 143 Ca -0.03 -0.95 -0.05 0.00 -1.03 0.00 0.00 54.13 52.07 3di2 s LEU 143 Cb -0.17 -0.87 0.04 0.00 0.03 0.00 0.00 46.19 45.21 3di2 s LEU 143 CO -0.08 -0.05 0.07 -0.32 0.23 0.00 0.00 176.35 176.21 3di2 s MET 144 N -3.22 2.67 0.27 1.70 -2.45 -0.06 -4.70 119.30 113.52 3di2 s MET 144 Ca 0.22 -1.13 -0.11 0.00 -1.25 0.00 0.00 55.69 53.41 3di2 s MET 144 Cb -0.04 -3.37 -0.08 0.00 1.25 0.00 0.00 34.83 32.59 3di2 s MET 144 CO 0.09 -0.61 0.63 -1.01 1.05 0.00 0.00 175.02 175.17 3di2 s HIS 145 N 1.39 3.41 -0.29 4.11 0.09 -0.42 -2.03 115.29 121.54 3di2 s HIS 145 Ca -0.02 1.00 0.02 0.00 -0.00 0.00 0.00 55.06 56.06 3di2 s HIS 145 Cb -0.19 -2.36 0.08 0.00 -0.00 0.00 0.00 32.58 30.11 3di2 s HIS 145 CO 0.02 0.19 -0.00 0.34 -0.00 0.00 0.00 174.74 175.28 3di2 s ASP 146 N -2.38 4.31 -0.23 1.40 2.15 0.18 -0.11 116.67 122.00 3di2 s ASP 146 Ca 0.50 -1.65 -0.22 0.00 0.43 0.00 0.00 52.55 51.62 3di2 s ASP 146 Cb -0.11 -1.35 -0.02 0.00 -0.30 0.00 0.00 42.92 41.14 3di2 s ASP 146 CO 0.20 -0.31 0.68 -0.69 -0.17 0.00 0.00 175.17 174.88 3di2 s VAL 147 N 1.20 4.96 -0.03 1.11 1.01 0.43 -2.42 120.40 126.67 3di2 s VAL 147 Ca 0.02 1.26 0.07 0.00 0.00 0.00 0.00 61.98 63.33 3di2 s VAL 147 Cb -0.19 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 3di2 s VAL 147 CO -0.10 0.04 -0.25 0.00 0.00 0.00 0.00 175.10 174.79 3di2 s ALA 148 N 2.34 2.14 0.08 5.51 0.00 0.37 -1.36 121.76 130.84 3di2 s ALA 148 Ca 0.29 -1.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 3di2 s ALA 148 Cb -0.16 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.41 3di2 s ALA 148 CO 0.09 0.50 0.28 1.52 0.00 0.00 0.00 175.76 178.15 3di2 s TYR 149 N -0.49 -0.03 0.37 0.00 1.13 -0.91 0.80 117.35 118.22 3di2 s TYR 149 Ca 0.07 -0.28 -0.10 0.00 -1.41 0.00 0.00 57.07 55.35 3di2 s TYR 149 Cb -0.11 0.08 0.03 0.00 -1.10 0.00 0.00 41.96 40.86 3di2 s TYR 149 CO 0.00 -0.58 0.64 -0.98 -2.51 0.00 0.00 175.55 172.13 3di2 s ARG 150 N -3.44 2.09 -0.04 -3.49 1.70 -0.38 0.27 118.95 115.66 3di2 s ARG 150 Ca 0.01 -1.59 0.01 0.00 -0.47 0.00 0.00 55.73 53.70 3di2 s ARG 150 Cb 0.02 0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 34.91 3di2 s ARG 150 CO -0.09 -0.93 -0.06 -1.14 -1.08 0.00 0.00 175.30 172.00 3di2 s GLN 151 N -2.66 2.71 0.24 3.89 0.74 -1.26 -1.33 119.66 121.99 3di2 s GLN 151 Ca 0.22 -0.60 -0.10 0.00 0.05 0.00 0.00 55.36 54.94 3di2 s GLN 151 Cb -0.03 -2.58 0.35 0.00 1.10 0.00 0.00 33.01 31.85 3di2 s GLN 151 CO 0.16 0.65 1.62 1.05 -0.55 0.00 0.00 175.29 178.21 3di2 h GLU 152 N 4.95 0.03 -0.54 1.67 -0.00 -1.72 0.18 114.58 119.15 3di2 h GLU 152 Ca -0.49 -0.00 0.09 0.00 -0.00 0.00 0.00 59.36 58.97 3di2 h GLU 152 Cb 1.17 -0.01 -0.03 0.00 -0.00 0.00 0.00 28.75 29.89 3di2 h GLU 152 CO 0.53 0.02 0.36 0.87 -0.00 0.00 0.00 179.01 180.80 3di2 h LYS 153 N 0.03 0.32 -6.77 1.06 1.57 -1.96 -3.42 116.57 107.39 3di2 h LYS 153 Ca 0.38 -0.02 -0.49 0.00 -1.87 0.00 0.00 60.65 58.65 3di2 h LYS 153 Cb 0.61 -0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.88 3di2 h LYS 153 CO -0.73 0.21 0.00 0.34 -0.57 0.00 0.00 179.45 178.70 3di2 s ASP 154 N -6.32 6.30 -0.01 0.86 -1.08 0.63 -5.11 116.67 111.95 3di2 s ASP 154 Ca -0.07 0.79 -0.00 0.00 -0.52 0.00 0.00 52.55 52.75 3di2 s ASP 154 Cb 0.19 -2.18 0.01 0.00 -1.46 0.00 0.00 42.92 39.48 3di2 s ASP 154 CO 0.74 -0.46 0.01 -0.70 0.52 0.00 0.00 175.17 175.28 3di2 s GLU 155 N -4.47 -0.01 0.00 4.34 2.56 -1.26 -4.69 118.70 115.17 3di2 s GLU 155 Ca 0.45 0.05 0.00 0.00 0.00 0.00 0.00 54.97 55.47 3di2 s GLU 155 Cb -0.10 -0.06 0.00 0.00 2.00 0.00 0.00 34.13 35.97 3di2 s GLU 155 CO 0.40 -0.04 0.00 0.09 -0.56 0.00 0.00 175.26 175.15 3di2 n ASN 156 N 3.36 -0.50 -4.07 -1.70 5.03 -1.26 -4.87 115.26 111.25 3di2 n ASN 156 Ca -0.16 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 54.92 3di2 n ASN 156 Cb 0.57 -2.55 -0.05 0.00 -1.02 0.00 0.00 39.78 36.73 3di2 n ASN 156 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 3di2 n LYS 157 N -1.75 2.90 -3.04 3.52 2.85 -1.26 -5.06 118.16 116.32 3di2 n LYS 157 Ca 0.00 -4.50 -0.30 0.00 -1.05 0.00 0.00 58.31 52.46 3di2 n LYS 157 Cb 0.04 -2.43 -0.04 0.00 -0.65 0.00 0.00 35.03 31.96 3di2 n LYS 157 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 3di2 s TRP 158 N -1.59 3.45 -0.30 5.58 0.52 -1.26 -4.78 118.94 120.56 3di2 s TRP 158 Ca 0.29 0.99 -0.09 0.00 0.02 0.00 0.00 56.10 57.31 3di2 s TRP 158 Cb -0.05 -2.38 -0.01 0.00 -1.15 0.00 0.00 33.47 29.88 3di2 s TRP 158 CO -0.09 0.01 0.14 0.99 0.02 0.00 0.00 176.95 178.02 3di2 s THR 159 N -2.20 4.56 0.20 2.01 2.01 0.14 -4.92 115.64 117.43 3di2 s THR 159 Ca 0.50 -0.38 -0.00 0.00 0.31 0.00 0.00 61.69 62.12 3di2 s THR 159 Cb -0.10 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 3di2 s THR 159 CO 0.28 0.11 0.37 -1.00 -0.69 0.00 0.00 174.62 173.69 3di2 s HIS 160 N 1.61 3.48 -0.12 4.92 3.76 -1.26 -2.14 115.29 125.54 3di2 s HIS 160 Ca 0.05 0.29 -0.05 0.00 -0.15 0.00 0.00 55.06 55.20 3di2 s HIS 160 Cb -0.17 -1.81 0.06 0.00 1.11 0.00 0.00 32.58 31.76 3di2 s HIS 160 CO 0.06 0.40 0.27 0.08 -0.85 0.00 0.00 174.74 174.70 3di2 s VAL 161 N -1.86 -0.23 -0.18 -0.90 1.01 -0.47 -4.99 120.40 112.79 3di2 s VAL 161 Ca 0.38 0.21 -0.17 0.00 0.00 0.00 0.00 61.98 62.40 3di2 s VAL 161 Cb -0.11 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 3di2 s VAL 161 CO 0.29 0.09 0.43 0.20 0.00 0.00 0.00 175.10 176.10 3di2 s ASN 162 N 1.85 6.51 0.40 3.32 -0.87 -1.26 -0.43 114.94 124.46 3di2 s ASN 162 Ca -0.04 0.60 0.05 0.00 -1.57 0.00 0.00 52.86 51.90 3di2 s ASN 162 Cb -0.11 -2.25 -0.06 0.00 -0.02 0.00 0.00 41.25 38.81 3di2 s ASN 162 CO -0.09 -0.07 0.03 -0.22 -2.57 0.00 0.00 177.10 174.19 3di2 s LEU 163 N 1.17 2.51 0.00 0.60 2.96 0.85 -4.97 118.68 121.80 3di2 s LEU 163 Ca 0.21 -1.43 0.00 0.00 -0.22 0.00 0.00 54.13 52.69 3di2 s LEU 163 Cb -0.15 -0.65 0.00 0.00 0.50 0.00 0.00 46.19 45.89 3di2 s LEU 163 CO 0.08 -0.59 0.00 -1.20 -1.32 0.00 0.00 176.35 173.32 3di2 n SER 164 N -0.94 0.20 -4.83 3.68 7.64 -1.26 -1.31 113.62 116.81 3di2 n SER 164 Ca -0.06 -0.19 -0.28 0.00 1.01 0.00 0.00 58.87 59.35 3di2 n SER 164 Cb 0.67 0.42 -0.04 0.00 -1.01 0.00 0.00 64.21 64.24 3di2 n SER 164 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3di2 s SER 165 N -0.46 4.43 -0.38 6.43 1.04 -1.26 -4.86 113.70 118.65 3di2 s SER 165 Ca 0.00 -1.34 0.07 0.00 0.48 0.00 0.00 55.95 55.16 3di2 s SER 165 Cb 0.00 0.27 0.71 0.00 0.10 0.00 0.00 66.02 67.10 3di2 s SER 165 CO 0.00 -0.91 1.85 0.35 0.98 0.00 0.00 173.24 175.51 3di2 n THR 166 N -1.50 3.06 -3.78 2.02 -2.24 -1.26 -4.89 114.28 105.68 3di2 n THR 166 Ca -0.07 -1.81 -0.15 0.00 -2.27 0.00 0.00 64.05 59.76 3di2 n THR 166 Cb 0.65 -0.41 -0.16 0.00 -2.10 0.00 0.00 70.33 68.32 3di2 n THR 166 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3di2 s LYS 167 N -3.15 -0.02 0.01 -0.78 2.20 -1.26 -1.93 119.74 114.81 3di2 s LYS 167 Ca 0.56 0.19 0.01 0.00 -0.36 0.00 0.00 55.97 56.37 3di2 s LYS 167 Cb 0.46 -0.22 -0.01 0.00 -1.51 0.00 0.00 37.83 36.55 3di2 s LYS 167 CO 0.12 -0.15 -0.04 -1.17 -0.36 0.00 0.00 175.35 173.75 3di2 s LEU 168 N 0.97 2.11 -0.16 5.43 2.96 0.98 -4.99 118.68 125.99 3di2 s LEU 168 Ca -0.08 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 3di2 s LEU 168 Cb -0.11 -0.09 0.02 0.00 0.50 0.00 0.00 46.19 46.50 3di2 s LEU 168 CO -0.03 -0.09 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.87 3di2 s THR 169 N -0.63 1.70 -0.07 3.68 2.01 -1.26 0.19 115.64 121.27 3di2 s THR 169 Ca -0.05 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.19 3di2 s THR 169 Cb -0.05 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 3di2 s THR 169 CO -0.00 0.48 0.12 -0.76 -0.69 0.00 0.00 174.62 173.77 3di2 s LEU 170 N 1.41 4.17 -0.13 4.42 1.02 -0.33 -4.96 118.68 124.29 3di2 s LEU 170 Ca 0.04 0.34 -0.11 0.00 0.02 0.00 0.00 54.13 54.42 3di2 s LEU 170 Cb -0.13 -2.18 -0.05 0.00 0.02 0.00 0.00 46.19 43.85 3di2 s LEU 170 CO -0.11 0.35 0.23 -0.76 0.02 0.00 0.00 176.35 176.09 3di2 s LEU 171 N -1.32 4.32 0.46 1.79 1.43 -1.26 -0.22 118.68 123.88 3di2 s LEU 171 Ca 0.19 0.52 0.14 0.00 -1.03 0.00 0.00 54.13 53.94 3di2 s LEU 171 Cb -0.12 -2.26 1.07 0.00 0.03 0.00 0.00 46.19 44.91 3di2 s LEU 171 CO 0.09 0.25 2.03 -0.61 0.23 0.00 0.00 176.35 178.34 3di2 h GLN 172 N 5.83 0.31 -0.03 1.70 4.15 -1.78 0.37 115.11 125.66 3di2 h GLN 172 Ca -0.47 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 58.94 3di2 h GLN 172 Cb 1.19 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 3di2 h GLN 172 CO 0.68 0.21 0.07 -0.09 -1.93 0.00 0.00 178.83 177.76 3di2 h ARG 173 N 0.32 0.00 -0.01 1.69 2.43 -1.93 -1.87 114.38 115.01 3di2 h ARG 173 Ca 0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3di2 h ARG 173 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3di2 h ARG 173 CO -0.04 0.00 -0.30 1.63 -1.51 0.00 0.00 179.97 179.75 3di2 n LYS 174 N -3.39 2.09 -4.60 0.20 5.02 0.13 -4.96 118.16 112.65 3di2 n LYS 174 Ca -0.02 -0.59 -0.34 0.00 -2.02 0.00 0.00 58.31 55.34 3di2 n LYS 174 Cb 0.15 -1.14 -0.12 0.00 -0.02 0.00 0.00 35.03 33.90 3di2 n LYS 174 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3di2 s LEU 175 N -1.88 3.15 0.29 -0.35 1.02 -0.70 -5.00 118.68 115.21 3di2 s LEU 175 Ca 0.09 -0.06 -0.28 0.00 0.02 0.00 0.00 54.13 53.90 3di2 s LEU 175 Cb 0.10 -1.70 -0.14 0.00 0.02 0.00 0.00 46.19 44.47 3di2 s LEU 175 CO 0.33 0.31 1.04 0.00 0.02 0.00 0.00 176.35 178.05 3di2 n GLN 176 N 2.55 1.42 -2.21 1.70 3.00 -1.26 -4.86 117.38 117.72 3di2 n GLN 176 Ca -0.18 0.50 -0.35 0.00 -0.01 0.00 0.00 57.00 56.96 3di2 n GLN 176 Cb 0.53 -1.89 0.00 0.00 0.00 0.00 0.00 30.24 28.88 3di2 n GLN 176 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 3di2 s PRO 177 N -1.57 3.32 -0.44 -1.09 0.02 -1.26 -4.19 135.00 129.79 3di2 s PRO 177 Ca 0.58 1.54 -0.15 0.00 0.02 0.00 0.00 61.00 63.00 3di2 s PRO 177 Cb -0.69 -2.01 0.02 0.00 0.02 0.00 0.00 34.50 31.84 3di2 s PRO 177 CO 0.60 -0.86 0.45 0.00 -0.33 0.00 0.00 177.00 176.86 3di2 n ALA 178 N -1.44 -2.08 -3.03 -1.55 0.00 0.41 -4.94 120.51 107.87 3di2 n ALA 178 Ca 0.11 0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 3di2 n ALA 178 Cb 0.51 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.83 3di2 n ALA 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3di2 s ALA 179 N -1.80 -0.80 -0.24 0.00 0.00 -1.10 -4.94 121.76 112.88 3di2 s ALA 179 Ca 0.15 0.07 -0.10 0.00 0.00 0.00 0.00 51.96 52.08 3di2 s ALA 179 Cb -0.02 0.39 -0.05 0.00 0.00 0.00 0.00 23.12 23.45 3di2 s ALA 179 CO 0.63 -0.46 0.14 1.41 0.00 0.00 0.00 175.76 177.47 3di2 s MET 180 N -2.76 3.95 0.15 0.00 -2.45 -1.26 -0.54 119.30 116.39 3di2 s MET 180 Ca -0.03 -0.33 0.07 0.00 -1.25 0.00 0.00 55.69 54.15 3di2 s MET 180 Cb -0.00 -3.49 -0.04 0.00 1.25 0.00 0.00 34.83 32.55 3di2 s MET 180 CO -0.05 -0.02 -0.02 0.71 1.05 0.00 0.00 175.02 176.70 3di2 s TYR 181 N 1.25 2.85 -0.10 4.11 1.51 0.29 -1.80 117.35 125.45 3di2 s TYR 181 Ca 0.07 -0.12 0.03 0.00 -1.01 0.00 0.00 57.07 56.03 3di2 s TYR 181 Cb -0.14 -1.41 -0.01 0.00 -0.11 0.00 0.00 41.96 40.29 3di2 s TYR 181 CO 0.06 0.50 -0.20 -2.00 -1.11 0.00 0.00 175.55 172.80 3di2 s GLU 182 N -2.75 3.08 0.03 -0.62 2.12 -0.44 -2.22 118.70 117.89 3di2 s GLU 182 Ca 0.26 -0.81 0.02 0.00 0.36 0.00 0.00 54.97 54.81 3di2 s GLU 182 Cb -0.10 -2.40 -0.02 0.00 0.26 0.00 0.00 34.13 31.87 3di2 s GLU 182 CO 0.18 0.24 -0.07 -1.50 -0.54 0.00 0.00 175.26 173.56 3di2 s ILE 183 N 0.23 0.54 0.12 -3.70 2.07 -0.62 -1.25 121.20 118.58 3di2 s ILE 183 Ca -0.13 -0.87 -0.18 0.00 -1.41 0.00 0.00 60.65 58.06 3di2 s ILE 183 Cb -0.16 -0.56 0.04 0.00 0.13 0.00 0.00 42.46 41.91 3di2 s ILE 183 CO 0.07 -0.24 0.46 -1.59 -1.91 0.00 0.00 174.94 171.72 3di2 s LYS 184 N -1.21 1.10 0.30 3.50 -2.85 0.24 -1.33 119.74 119.49 3di2 s LYS 184 Ca -0.07 -0.57 0.05 0.00 -1.00 0.00 0.00 55.97 54.38 3di2 s LYS 184 Cb -0.08 0.49 -0.06 0.00 -2.06 0.00 0.00 37.83 36.12 3di2 s LYS 184 CO 0.00 -0.43 0.01 0.14 0.10 0.00 0.00 175.35 175.17 3di2 s VAL 185 N -3.52 1.39 -0.05 1.79 -7.23 -1.26 0.14 120.40 111.66 3di2 s VAL 185 Ca 0.01 -2.05 -0.29 0.00 -1.81 0.00 0.00 61.98 57.84 3di2 s VAL 185 Cb 0.01 -2.64 0.09 0.00 0.56 0.00 0.00 36.38 34.41 3di2 s VAL 185 CO -0.10 -0.14 0.81 0.00 -0.31 0.00 0.00 175.10 175.35 3di2 s ARG 186 N -3.82 0.90 0.20 4.82 1.70 -1.02 -0.64 118.95 121.10 3di2 s ARG 186 Ca 0.33 0.02 0.11 0.00 -0.47 0.00 0.00 55.73 55.72 3di2 s ARG 186 Cb 0.07 0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 34.82 3di2 s ARG 186 CO 0.14 -0.32 -0.21 -1.12 -1.08 0.00 0.00 175.30 172.70 3di2 s SER 187 N -1.61 3.20 0.01 -2.89 0.01 -1.26 -0.64 113.70 110.52 3di2 s SER 187 Ca -0.04 -0.90 0.02 0.00 1.31 0.00 0.00 55.95 56.34 3di2 s SER 187 Cb -0.00 -0.23 -0.01 0.00 0.21 0.00 0.00 66.02 65.99 3di2 s SER 187 CO 0.01 0.05 -0.06 -0.51 0.41 0.00 0.00 173.24 173.14 3di2 s ILE 188 N -1.97 0.45 0.51 1.44 2.07 -0.86 -0.43 121.20 122.41 3di2 s ILE 188 Ca 0.21 -0.46 -0.22 0.00 -1.41 0.00 0.00 60.65 58.77 3di2 s ILE 188 Cb -0.07 -0.43 -0.07 0.00 0.13 0.00 0.00 42.46 42.03 3di2 s ILE 188 CO 0.10 -0.02 1.17 -2.65 -1.91 0.00 0.00 174.94 171.63 3di2 n PRO 189 N 2.54 1.47 0.00 3.50 -0.02 -1.26 -0.88 135.00 140.35 3di2 n PRO 189 Ca -0.16 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3di2 n PRO 189 Cb 0.57 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3di2 n PRO 189 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3di2 n ASP 190 N -0.38 0.00 0.00 2.55 2.03 -0.45 -4.62 116.55 115.69 3di2 n ASP 190 Ca 0.10 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 54.92 3di2 n ASP 190 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 3di2 n ASP 190 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 3di2 n HIS 191 N 0.00 0.00 -0.02 -0.67 -0.00 -1.21 -4.91 115.22 108.40 3di2 n HIS 191 Ca 0.00 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.10 3di2 n HIS 191 Cb 0.12 0.00 0.09 0.00 -0.12 0.00 0.00 29.99 30.09 3di2 n HIS 191 CO 0.00 0.00 0.00 -0.92 0.46 0.00 0.00 176.34 175.88 3di2 h TYR 192 N 0.00 0.71 -4.23 1.57 5.03 -1.95 -3.45 116.97 114.66 3di2 h TYR 192 Ca 0.00 -0.21 -0.50 0.00 2.58 0.00 0.00 58.73 60.61 3di2 h TYR 192 Cb 0.00 -0.15 0.06 0.00 1.55 0.00 0.00 36.73 38.19 3di2 h TYR 192 CO 0.00 0.90 0.35 -0.06 -1.32 0.00 0.00 178.16 178.04 3di2 s PHE 193 N -4.27 3.46 0.15 -3.82 0.40 -1.26 -4.99 117.98 107.64 3di2 s PHE 193 Ca -0.08 1.06 0.02 0.00 -0.60 0.00 0.00 56.93 57.34 3di2 s PHE 193 Cb 0.12 -2.81 -0.04 0.00 0.51 0.00 0.00 43.02 40.80 3di2 s PHE 193 CO 0.83 -0.85 -0.03 0.15 0.70 0.00 0.00 175.22 176.02 3di2 s LYS 194 N -5.18 1.04 0.00 0.44 1.02 -0.74 -4.06 119.74 112.26 3di2 s LYS 194 Ca 0.55 -1.48 0.00 0.00 0.02 0.00 0.00 55.97 55.07 3di2 s LYS 194 Cb -0.11 -0.31 0.00 0.00 -0.52 0.00 0.00 37.83 36.89 3di2 s LYS 194 CO 0.51 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 175.28 3di2 n GLY 195 N -0.19 -0.77 3.50 -3.33 0.00 -1.06 -1.58 105.19 101.76 3di2 n GLY 195 Ca -0.08 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 3di2 n GLY 195 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3di2 s PHE 196 N -4.00 2.16 0.44 1.61 0.08 0.12 -4.85 117.98 113.54 3di2 s PHE 196 Ca 0.00 -0.74 -0.24 0.00 0.12 0.00 0.00 56.93 56.07 3di2 s PHE 196 Cb 0.00 -1.36 -0.08 0.00 -0.57 0.00 0.00 43.02 41.01 3di2 s PHE 196 CO 0.00 0.29 1.23 -1.58 -0.10 0.00 0.00 175.22 175.06 3di2 s TRP 197 N -2.96 2.83 0.89 0.36 0.52 -1.26 -4.19 118.94 115.13 3di2 s TRP 197 Ca 0.33 1.48 -0.13 0.00 0.02 0.00 0.00 56.10 57.81 3di2 s TRP 197 Cb 0.07 -3.53 0.13 0.00 -1.15 0.00 0.00 33.47 28.99 3di2 s TRP 197 CO 0.15 -1.82 1.15 -1.54 0.02 0.00 0.00 176.95 174.91 3di2 s SER 198 N -1.05 3.68 0.83 2.95 1.04 0.42 -4.80 113.70 116.77 3di2 s SER 198 Ca 0.61 0.88 -0.10 0.00 0.48 0.00 0.00 55.95 57.82 3di2 s SER 198 Cb -0.34 -1.41 0.09 0.00 0.10 0.00 0.00 66.02 64.47 3di2 s SER 198 CO 0.42 -2.44 1.11 -0.70 0.98 0.00 0.00 173.24 172.62 3di2 s GLU 199 N -5.38 1.77 0.60 4.02 2.56 -1.26 -4.66 118.70 116.35 3di2 s GLU 199 Ca 0.64 1.32 -0.16 0.00 0.00 0.00 0.00 54.97 56.77 3di2 s GLU 199 Cb -0.13 -1.83 -0.03 0.00 2.00 0.00 0.00 34.13 34.14 3di2 s GLU 199 CO 0.52 -2.03 1.08 -1.58 -0.56 0.00 0.00 175.26 172.69 3di2 s TRP 200 N -2.80 2.85 0.81 5.30 0.52 -1.26 -4.51 118.94 119.84 3di2 s TRP 200 Ca 0.63 1.53 -0.12 0.00 0.02 0.00 0.00 56.10 58.17 3di2 s TRP 200 Cb -0.19 -3.09 0.08 0.00 -1.15 0.00 0.00 33.47 29.12 3di2 s TRP 200 CO 0.57 -1.31 1.14 -1.54 0.02 0.00 0.00 176.95 175.82 3di2 s SER 201 N -2.58 4.50 0.62 2.95 1.04 0.19 -4.90 113.70 115.53 3di2 s SER 201 Ca 0.66 0.98 -0.17 0.00 0.48 0.00 0.00 55.95 57.89 3di2 s SER 201 Cb -0.18 -1.60 -0.02 0.00 0.10 0.00 0.00 66.02 64.32 3di2 s SER 201 CO 0.36 -1.93 1.17 -2.84 0.98 0.00 0.00 173.24 170.99 3di2 s PRO 202 N -5.40 2.85 0.61 4.02 0.02 -1.26 -4.71 135.00 131.13 3di2 s PRO 202 Ca 0.61 1.68 -0.14 0.00 0.02 0.00 0.00 61.00 63.16 3di2 s PRO 202 Cb -0.12 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.44 3di2 s PRO 202 CO 0.51 -1.27 1.05 -1.12 -0.33 0.00 0.00 177.00 175.84 3di2 s SER 203 N -1.93 5.83 -0.02 2.53 0.01 -1.26 -4.79 113.70 114.07 3di2 s SER 203 Ca 0.74 1.71 0.06 0.00 1.31 0.00 0.00 55.95 59.76 3di2 s SER 203 Cb -0.27 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.43 3di2 s SER 203 CO 0.36 -1.14 -0.19 -0.47 0.41 0.00 0.00 173.24 172.21 3di2 s TYR 204 N -2.67 1.78 -0.13 2.43 5.04 -0.44 -4.96 117.35 118.40 3di2 s TYR 204 Ca 0.61 -0.38 0.03 0.00 -2.44 0.00 0.00 57.07 54.89 3di2 s TYR 204 Cb -0.14 -1.15 0.01 0.00 0.35 0.00 0.00 41.96 41.02 3di2 s TYR 204 CO 0.42 -0.06 -0.21 0.71 -1.34 0.00 0.00 175.55 175.06 3di2 s TYR 205 N -0.35 2.51 0.09 4.97 1.51 -1.26 -1.59 117.35 123.24 3di2 s TYR 205 Ca 0.05 -1.21 0.03 0.00 -1.01 0.00 0.00 57.07 54.92 3di2 s TYR 205 Cb -0.09 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 40.01 3di2 s TYR 205 CO 0.00 -0.55 -0.08 -0.59 -1.11 0.00 0.00 175.55 173.22 3di2 s PHE 206 N 0.76 0.92 -0.06 2.71 -0.12 -0.94 -4.98 117.98 116.27 3di2 s PHE 206 Ca -0.09 -0.76 0.02 0.00 -0.05 0.00 0.00 56.93 56.06 3di2 s PHE 206 Cb -0.16 -0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 41.68 3di2 s PHE 206 CO 0.00 -0.08 -0.10 0.50 -0.05 0.00 0.00 175.22 175.49 3di2 s ARG 207 N -3.12 2.63 -0.05 1.99 3.52 -1.26 -0.55 118.95 122.12 3di2 s ARG 207 Ca 0.06 -0.62 -0.14 0.00 -0.13 0.00 0.00 55.73 54.90 3di2 s ARG 207 Cb -0.00 -2.50 -0.05 0.00 -1.56 0.00 0.00 34.95 30.84 3di2 s ARG 207 CO -0.02 0.64 0.36 0.95 -0.81 0.00 0.00 175.30 176.43 3di2 s THR 208 N -0.79 5.15 1.17 4.11 -4.23 0.30 -4.93 115.64 116.41 3di2 s THR 208 Ca 0.12 0.73 -0.16 0.00 -1.18 0.00 0.00 61.69 61.20 3di2 s THR 208 Cb -0.11 -3.67 0.22 0.00 1.34 0.00 0.00 72.50 70.28 3di2 s THR 208 CO 0.01 0.53 0.53 -0.81 -0.54 0.00 0.00 174.62 174.35 3di2 n PRO 209 N 2.26 -2.22 -2.95 3.99 -0.04 -1.26 -1.89 135.00 132.89 3di2 n PRO 209 Ca -0.14 -0.63 -0.43 0.00 -0.04 0.00 0.00 63.50 62.27 3di2 n PRO 209 Cb 0.53 -1.94 -0.05 0.00 -0.04 0.00 0.00 33.50 32.00 3di2 n PRO 209 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3di2 s GLU 210 N -3.94 3.33 0.00 0.54 2.56 -1.26 0.15 118.70 120.08 3di2 s GLU 210 Ca 0.63 -0.29 0.25 0.00 0.00 0.00 0.00 54.97 55.56 3di2 s GLU 210 Cb -0.19 -4.00 1.49 0.00 2.00 0.00 0.00 34.13 33.43 3di2 s GLU 210 CO 0.66 -1.26 1.85 0.44 -0.56 0.00 0.00 175.26 176.40