#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j16 n PRO 57 N 0.00 0.24 0.00 2.98 -0.02 -1.26 -5.04 135.00 131.90 2j16 n PRO 57 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2j16 n PRO 57 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2j16 n PRO 57 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2j16 n LYS 58 N 0.00 0.00 0.00 -0.52 3.00 -1.26 -5.13 118.16 114.25 2j16 n LYS 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2j16 n LYS 58 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2j16 n LYS 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2j16 n GLY 59 N 0.00 0.86 3.68 3.14 0.00 -1.26 -4.99 105.19 106.62 2j16 n GLY 59 Ca 0.00 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 2j16 n GLY 59 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2j16 n PRO 60 N 1.26 1.99 -3.67 1.61 -0.02 -1.26 -4.95 135.00 129.94 2j16 n PRO 60 Ca 0.00 0.70 -0.37 0.00 -2.02 0.00 0.00 63.50 61.81 2j16 n PRO 60 Cb 0.00 -2.26 -0.11 0.00 -0.02 0.00 0.00 33.50 31.11 2j16 n PRO 60 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2j16 s LEU 61 N -0.62 3.81 -0.34 2.45 2.96 0.10 -4.89 118.68 122.15 2j16 s LEU 61 Ca 0.58 -0.06 -0.28 0.00 -0.22 0.00 0.00 54.13 54.14 2j16 s LEU 61 Cb -0.60 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.03 2j16 s LEU 61 CO 0.60 -0.02 1.75 -0.22 -1.32 0.00 0.00 176.35 177.14 2j16 s LEU 62 N 1.58 3.51 -0.02 -0.68 2.96 -1.26 -0.24 118.68 124.53 2j16 s LEU 62 Ca 0.07 1.24 0.18 0.00 -0.22 0.00 0.00 54.13 55.39 2j16 s LEU 62 Cb -0.15 -3.51 -0.27 0.00 0.50 0.00 0.00 46.19 42.76 2j16 s LEU 62 CO 0.07 -1.68 0.41 1.33 -1.32 0.00 0.00 176.35 175.17 2j16 n VAL 63 N 7.37 0.00 -4.07 1.68 0.24 -0.21 -4.98 118.33 118.36 2j16 n VAL 63 Ca 0.22 -0.39 -0.13 0.00 -2.04 0.00 0.00 64.34 62.00 2j16 n VAL 63 Cb 0.47 0.15 -0.12 0.00 -1.47 0.00 0.00 33.84 32.87 2j16 n VAL 63 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2j16 s LEU 64 N -4.15 2.23 0.55 1.34 1.43 -1.20 -4.90 118.68 113.98 2j16 s LEU 64 Ca -0.06 -0.50 0.22 0.00 -1.03 0.00 0.00 54.13 52.76 2j16 s LEU 64 Cb 0.11 -0.18 1.48 0.00 0.03 0.00 0.00 46.19 47.63 2j16 s LEU 64 CO 0.74 -0.17 2.17 1.55 0.23 0.00 0.00 176.35 180.86 2j16 h PRO 65 N 4.65 0.00 -1.00 1.29 0.13 -1.93 -2.69 132.00 132.45 2j16 h PRO 65 Ca -0.35 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 2j16 h PRO 65 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2j16 h PRO 65 CO 0.42 0.00 0.02 -0.85 -0.23 0.00 0.00 178.00 177.35 2j16 n GLU 66 N -4.26 1.05 -3.40 0.86 0.00 -1.26 -4.83 120.64 108.81 2j16 n GLU 66 Ca -0.02 -0.09 -0.17 0.00 0.00 0.00 0.00 57.16 56.88 2j16 n GLU 66 Cb 0.15 -1.12 0.09 0.00 0.00 0.00 0.00 31.44 30.55 2j16 n GLU 66 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2j16 n LYS 67 N 0.37 -6.53 -4.04 3.44 5.02 -1.02 -4.77 118.16 110.64 2j16 n LYS 67 Ca 0.02 0.82 -0.35 0.00 -2.02 0.00 0.00 58.31 56.78 2j16 n LYS 67 Cb 0.49 -5.76 -0.10 0.00 -0.02 0.00 0.00 35.03 29.64 2j16 n LYS 67 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2j16 s ILE 68 N -3.34 4.62 0.00 -0.18 1.01 -1.24 -2.12 121.20 119.95 2j16 s ILE 68 Ca 0.05 -0.09 0.07 0.00 0.00 0.00 0.00 60.65 60.68 2j16 s ILE 68 Cb -0.02 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 2j16 s ILE 68 CO 0.71 0.45 -0.22 -0.31 0.00 0.00 0.00 174.94 175.57 2j16 s TYR 69 N 0.50 2.47 0.01 3.97 1.51 0.34 -1.05 117.35 125.10 2j16 s TYR 69 Ca 0.02 -0.33 0.06 0.00 -1.01 0.00 0.00 57.07 55.81 2j16 s TYR 69 Cb -0.13 -1.50 -0.03 0.00 -0.11 0.00 0.00 41.96 40.19 2j16 s TYR 69 CO 0.01 0.11 -0.16 -1.17 -1.11 0.00 0.00 175.55 173.24 2j16 s LEU 70 N -0.96 2.71 0.00 -1.29 2.96 0.66 -1.06 118.68 121.70 2j16 s LEU 70 Ca 0.12 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 2j16 s LEU 70 Cb -0.10 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 45.02 2j16 s LEU 70 CO 0.01 0.28 0.00 0.00 -1.32 0.00 0.00 176.35 175.33 2j16 n TYR 71 N 1.76 -0.56 -3.45 5.38 9.36 -1.08 0.00 117.16 128.57 2j16 n TYR 71 Ca -0.16 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.05 2j16 n TYR 71 Cb 0.52 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.19 2j16 n TYR 71 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 2j16 s SER 72 N -0.31 -1.05 -0.75 2.98 1.04 -1.26 -4.42 113.70 109.92 2j16 s SER 72 Ca 0.00 1.18 -0.03 0.00 0.48 0.00 0.00 55.95 57.58 2j16 s SER 72 Cb 0.00 2.09 0.01 0.00 0.10 0.00 0.00 66.02 68.21 2j16 s SER 72 CO 0.00 -0.24 0.64 -1.84 0.98 0.00 0.00 173.24 172.78 2j16 n GLU 73 N 5.43 -1.53 -1.44 4.02 -0.00 -1.26 -4.96 120.64 120.90 2j16 n GLU 73 Ca -0.07 1.12 -0.29 0.00 -0.00 0.00 0.00 57.16 57.92 2j16 n GLU 73 Cb 0.50 -3.60 0.14 0.00 -0.00 0.00 0.00 31.44 28.48 2j16 n GLU 73 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2j16 s PRO 74 N -4.01 1.07 0.62 3.44 0.04 -1.26 -5.08 135.00 129.82 2j16 s PRO 74 Ca 0.04 0.39 0.02 0.00 0.04 0.00 0.00 61.00 61.50 2j16 s PRO 74 Cb -0.01 -1.82 0.08 0.00 0.04 0.00 0.00 34.50 32.79 2j16 s PRO 74 CO 0.84 -2.27 0.86 0.95 0.04 0.00 0.00 177.00 177.42 2j16 s THR 75 N -3.18 2.36 0.42 1.26 -4.23 -1.26 -4.96 115.64 106.05 2j16 s THR 75 Ca 0.64 -0.72 0.09 0.00 -1.18 0.00 0.00 61.69 60.52 2j16 s THR 75 Cb -0.16 -2.65 0.24 0.00 1.34 0.00 0.00 72.50 71.28 2j16 s THR 75 CO 0.54 0.00 2.04 1.62 -0.54 0.00 0.00 174.62 178.29 2j16 h VAL 76 N -0.13 1.10 -0.03 2.29 3.04 -1.99 -2.36 116.25 118.17 2j16 h VAL 76 Ca -0.37 -0.30 -0.16 0.00 -1.01 0.00 0.00 66.70 64.86 2j16 h VAL 76 Cb 1.28 0.76 -0.01 0.00 -2.01 0.00 0.00 31.29 31.31 2j16 h VAL 76 CO 0.44 0.12 -0.69 0.07 -1.01 0.00 0.00 177.57 176.50 2j16 h LYS 77 N 0.38 0.16 0.00 4.17 5.09 -2.02 -3.22 116.57 121.13 2j16 h LYS 77 Ca 0.10 -0.13 0.00 0.00 0.09 0.00 0.00 60.65 60.70 2j16 h LYS 77 Cb 0.05 0.03 0.00 0.00 0.10 0.00 0.00 32.23 32.41 2j16 h LYS 77 CO -0.01 0.79 -0.22 0.93 -2.09 0.00 0.00 179.45 178.85 2j16 h GLU 78 N 0.11 0.00 -0.00 0.07 5.08 -1.82 -3.07 114.58 114.94 2j16 h GLU 78 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2j16 h GLU 78 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2j16 h GLU 78 CO 0.10 0.00 -0.23 1.28 -1.00 0.00 0.00 179.01 179.17 2j16 n LEU 79 N -2.32 0.59 -0.18 1.33 4.77 -0.93 -4.46 117.00 115.80 2j16 n LEU 79 Ca 0.05 -0.02 -0.07 0.00 -0.03 0.00 0.00 56.01 55.93 2j16 n LEU 79 Cb 0.45 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.34 2j16 n LEU 79 CO 0.33 0.12 1.05 -0.07 -1.33 0.00 0.00 177.39 177.48 2j16 h LEU 80 N 0.57 0.62 0.00 2.23 3.38 -1.60 -3.01 115.31 117.51 2j16 h LEU 80 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2j16 h LEU 80 Cb 0.45 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2j16 h LEU 80 CO 0.00 0.51 0.00 -2.65 0.09 0.00 0.00 178.44 176.39 2j16 n PRO 81 N -4.67 0.37 -3.72 1.13 -0.02 -1.26 -4.88 135.00 121.95 2j16 n PRO 81 Ca 0.02 0.07 -0.33 0.00 -2.02 0.00 0.00 63.50 61.25 2j16 n PRO 81 Cb 0.06 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.00 2j16 n PRO 81 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2j16 s PHE 82 N -2.47 3.53 -0.21 6.00 0.08 -1.14 -4.83 117.98 118.93 2j16 s PHE 82 Ca 0.22 0.56 0.12 0.00 0.12 0.00 0.00 56.93 57.95 2j16 s PHE 82 Cb 0.14 -1.99 -0.21 0.00 -0.57 0.00 0.00 43.02 40.39 2j16 s PHE 82 CO 0.31 0.52 -0.04 -0.25 -0.10 0.00 0.00 175.22 175.67 2j16 n ASP 83 N 0.55 0.86 -4.04 1.36 8.00 -0.47 -4.32 116.55 118.50 2j16 n ASP 83 Ca -0.06 -0.05 -0.22 0.00 0.71 0.00 0.00 54.79 55.16 2j16 n ASP 83 Cb 0.52 0.48 -0.16 0.00 -0.02 0.00 0.00 41.12 41.94 2j16 n ASP 83 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2j16 s VAL 84 N -2.48 1.00 -0.09 2.53 1.01 -0.97 -1.83 120.40 119.56 2j16 s VAL 84 Ca -0.18 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.36 2j16 s VAL 84 Cb 0.07 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.57 2j16 s VAL 84 CO 0.72 0.31 -0.17 -0.69 0.00 0.00 0.00 175.10 175.26 2j16 s VAL 85 N 0.25 1.57 -0.24 2.92 1.01 0.06 -1.21 120.40 124.75 2j16 s VAL 85 Ca -0.05 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 2j16 s VAL 85 Cb -0.11 -1.39 0.03 0.00 0.00 0.00 0.00 36.38 34.91 2j16 s VAL 85 CO 0.01 0.45 -0.07 -0.63 0.00 0.00 0.00 175.10 174.87 2j16 s ILE 86 N 0.61 2.81 -0.28 2.22 1.01 0.82 -0.54 121.20 127.85 2j16 s ILE 86 Ca -0.15 -1.04 -0.09 0.00 0.00 0.00 0.00 60.65 59.37 2j16 s ILE 86 Cb -0.16 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 2j16 s ILE 86 CO 0.05 0.21 0.14 0.21 0.00 0.00 0.00 174.94 175.54 2j16 s ASN 87 N 1.32 5.56 -0.05 3.58 2.47 0.77 -1.01 114.94 127.58 2j16 s ASN 87 Ca 0.00 -0.22 0.10 0.00 0.42 0.00 0.00 52.86 53.17 2j16 s ASN 87 Cb -0.17 -2.02 0.29 0.00 -1.45 0.00 0.00 41.25 37.91 2j16 s ASN 87 CO -0.05 -0.08 1.23 1.33 -3.72 0.00 0.00 177.10 175.80 2j16 n VAL 88 N 4.99 1.36 -1.87 -5.21 0.24 -0.17 -1.27 118.33 116.40 2j16 n VAL 88 Ca -0.15 -1.31 -0.35 0.00 -2.04 0.00 0.00 64.34 60.50 2j16 n VAL 88 Cb 0.51 0.27 0.04 0.00 -1.47 0.00 0.00 33.84 33.19 2j16 n VAL 88 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2j16 s ALA 89 N -1.57 2.46 0.27 2.33 0.00 -1.25 -4.66 121.76 119.34 2j16 s ALA 89 Ca 0.23 0.82 0.19 0.00 0.00 0.00 0.00 51.96 53.20 2j16 s ALA 89 Cb 0.16 -3.40 0.82 0.00 0.00 0.00 0.00 23.12 20.69 2j16 s ALA 89 CO 0.10 -1.27 1.81 1.49 0.00 0.00 0.00 175.76 177.89 2j16 h GLU 90 N 0.46 0.00 -3.08 0.00 4.81 -1.86 -3.39 114.58 111.53 2j16 h GLU 90 Ca -0.49 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.61 2j16 h GLU 90 Cb 1.28 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.44 2j16 h GLU 90 CO 0.54 0.34 -0.33 -2.00 -0.73 0.00 0.00 179.01 176.83 2j16 s GLU 91 N -3.85 0.54 0.00 1.92 2.12 -1.26 -4.80 118.70 113.37 2j16 s GLU 91 Ca -0.01 -0.00 0.00 0.00 0.36 0.00 0.00 54.97 55.31 2j16 s GLU 91 Cb 0.12 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.75 2j16 s GLU 91 CO 0.68 -0.13 0.00 0.00 -0.54 0.00 0.00 175.26 175.27 2j16 n ALA 92 N 1.86 0.00 -1.99 6.30 0.00 -1.26 -5.13 120.51 120.29 2j16 n ALA 92 Ca -0.19 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.25 2j16 n ALA 92 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.01 2j16 n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j16 n ALA 101 N -3.00 -3.22 -1.65 0.00 0.00 -1.26 -5.29 120.51 106.08 2j16 n ALA 101 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2j16 n ALA 101 Cb 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2j16 n ALA 101 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2j16 n VAL 102 N 0.35 0.00 -2.07 0.00 0.31 -1.20 -4.83 118.33 110.89 2j16 n VAL 102 Ca -0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.88 2j16 n VAL 102 Cb 0.04 -0.34 -0.03 0.00 -0.91 0.00 0.00 33.84 32.60 2j16 n VAL 102 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2j16 s GLU 103 N 0.00 4.24 -0.02 5.55 2.12 -0.76 -4.94 118.70 124.88 2j16 s GLU 103 Ca 0.00 2.15 0.01 0.00 0.36 0.00 0.00 54.97 57.49 2j16 s GLU 103 Cb 0.00 -3.57 0.01 0.00 0.26 0.00 0.00 34.13 30.83 2j16 s GLU 103 CO 0.00 -0.65 -0.03 -0.47 -0.54 0.00 0.00 175.26 173.56 2j16 s TYR 104 N 2.47 0.49 -0.02 5.30 6.14 -1.26 -0.76 117.35 129.71 2j16 s TYR 104 Ca 0.69 -0.09 0.02 0.00 0.64 0.00 0.00 57.07 58.32 2j16 s TYR 104 Cb -0.36 -0.42 0.00 0.00 0.42 0.00 0.00 41.96 41.61 2j16 s TYR 104 CO 0.29 -0.09 -0.06 -1.01 0.64 0.00 0.00 175.55 175.33 2j16 s HIS 105 N 0.47 0.62 -0.10 4.97 3.76 0.30 -4.97 115.29 120.34 2j16 s HIS 105 Ca -0.05 -0.13 -0.01 0.00 -0.15 0.00 0.00 55.06 54.72 2j16 s HIS 105 Cb -0.09 -0.45 0.03 0.00 1.11 0.00 0.00 32.58 33.19 2j16 s HIS 105 CO -0.00 -0.06 -0.01 -1.58 -0.85 0.00 0.00 174.74 172.24 2j16 s HIS 106 N 0.15 0.93 -0.12 1.40 2.46 -1.26 -0.16 115.29 118.68 2j16 s HIS 106 Ca -0.01 -0.42 0.02 0.00 0.47 0.00 0.00 55.06 55.11 2j16 s HIS 106 Cb -0.06 -0.95 -0.00 0.00 -0.13 0.00 0.00 32.58 31.44 2j16 s HIS 106 CO -0.00 -0.42 -0.18 0.71 -2.47 0.00 0.00 174.74 172.38 2j16 s TYR 107 N 1.89 2.70 -0.72 3.88 2.02 -0.40 -5.01 117.35 121.71 2j16 s TYR 107 Ca 0.04 -0.92 0.02 0.00 -0.37 0.00 0.00 57.07 55.84 2j16 s TYR 107 Cb -0.13 -1.80 0.18 0.00 -0.40 0.00 0.00 41.96 39.80 2j16 s TYR 107 CO -0.06 -0.37 0.54 1.03 -1.57 0.00 0.00 175.55 175.11 2j16 s ARG 108 N 0.48 2.63 -0.20 -0.62 3.00 -1.26 -3.97 118.95 119.02 2j16 s ARG 108 Ca -0.12 -3.15 -0.27 0.00 0.00 0.00 0.00 55.73 52.18 2j16 s ARG 108 Cb -0.17 -3.59 -0.00 0.00 0.00 0.00 0.00 34.95 31.19 2j16 s ARG 108 CO 0.05 -1.24 0.93 -1.58 0.00 0.00 0.00 175.30 173.45 2j16 s TRP 109 N -1.13 3.38 0.12 -0.53 0.51 -1.26 -4.92 118.94 115.10 2j16 s TRP 109 Ca 0.24 1.35 -0.10 0.00 -2.12 0.00 0.00 56.10 55.47 2j16 s TRP 109 Cb -0.10 -3.13 -0.12 0.00 -0.81 0.00 0.00 33.47 29.31 2j16 s TRP 109 CO -0.12 -0.35 1.32 1.05 -0.51 0.00 0.00 176.95 178.34 2j16 h GLU 110 N 7.41 0.70 -6.30 4.98 4.11 -1.97 -3.45 114.58 120.07 2j16 h GLU 110 Ca -0.25 -0.59 -0.67 0.00 0.07 0.00 0.00 59.36 57.92 2j16 h GLU 110 Cb 1.10 0.13 -0.16 0.00 0.50 0.00 0.00 28.75 30.32 2j16 h GLU 110 CO 0.90 1.20 -0.69 -1.01 0.07 0.00 0.00 179.01 179.48 2j16 s HIS 111 N -3.66 2.92 0.32 2.06 3.76 -1.26 -5.03 115.29 114.39 2j16 s HIS 111 Ca -0.09 -0.03 0.05 0.00 -0.15 0.00 0.00 55.06 54.84 2j16 s HIS 111 Cb 0.09 -1.59 0.55 0.00 1.11 0.00 0.00 32.58 32.73 2j16 s HIS 111 CO 0.89 0.40 1.80 -0.44 -0.85 0.00 0.00 174.74 176.55 2j16 h ASP 112 N 4.30 0.39 0.00 1.40 5.19 -2.01 -3.06 116.42 122.63 2j16 h ASP 112 Ca -0.48 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 55.82 2j16 h ASP 112 Cb 1.17 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.57 2j16 h ASP 112 CO 0.55 0.60 0.02 -1.20 -3.12 0.00 0.00 179.24 176.08 2j16 n SER 113 N -4.18 0.15 0.14 6.45 7.64 -1.26 -2.57 113.62 119.99 2j16 n SER 113 Ca -0.00 0.56 0.12 0.00 1.01 0.00 0.00 58.87 60.55 2j16 n SER 113 Cb 0.35 -0.57 0.06 0.00 -1.01 0.00 0.00 64.21 63.03 2j16 n SER 113 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2j16 h GLN 114 N 0.00 0.00 -0.89 1.43 4.20 -1.97 -3.37 115.11 114.51 2j16 h GLN 114 Ca 0.00 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.82 2j16 h GLN 114 Cb 0.03 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.73 2j16 h GLN 114 CO 0.00 0.00 0.52 0.82 -0.67 0.00 0.00 178.83 179.50 2j16 h ILE 115 N 0.00 0.89 -1.01 2.54 5.03 -1.72 -3.19 117.51 120.06 2j16 h ILE 115 Ca 0.00 -0.29 0.24 0.00 -0.12 0.00 0.00 64.86 64.70 2j16 h ILE 115 Cb 1.00 -0.02 -0.09 0.00 -3.03 0.00 0.00 36.82 34.68 2j16 h ILE 115 CO 0.00 0.15 0.64 0.00 -0.68 0.00 0.00 178.15 178.27 2j16 h ALA 116 N 1.50 2.12 0.00 1.87 0.00 -1.83 0.68 119.26 123.60 2j16 h ALA 116 Ca 0.44 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.37 2j16 h ALA 116 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2j16 h ALA 116 CO -0.27 -0.50 -0.17 -0.07 0.00 0.00 0.00 179.25 178.24 2j16 h LEU 117 N 0.46 0.00 -2.07 0.00 3.38 -1.86 -3.16 115.31 112.07 2j16 h LEU 117 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.54 2j16 h LEU 117 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2j16 h LEU 117 CO -0.30 0.17 0.00 0.47 0.09 0.00 0.00 178.44 178.87 2j16 n ASP 118 N -3.21 3.15 -0.10 -0.43 8.00 0.21 -4.55 116.55 119.61 2j16 n ASP 118 Ca 0.02 -1.98 -0.13 0.00 0.71 0.00 0.00 54.79 53.41 2j16 n ASP 118 Cb 0.50 -0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.44 2j16 n ASP 118 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2j16 h LEU 119 N 4.50 0.77 -0.39 0.64 3.38 -1.45 -0.41 115.31 122.35 2j16 h LEU 119 Ca 0.00 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2j16 h LEU 119 Cb 0.97 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2j16 h LEU 119 CO 0.00 1.07 0.25 -0.65 0.09 0.00 0.00 178.44 179.20 2j16 h PRO 120 N 0.49 0.52 0.06 1.13 0.11 -1.81 -1.59 132.00 130.91 2j16 h PRO 120 Ca 0.05 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 2j16 h PRO 120 Cb 0.84 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.84 2j16 h PRO 120 CO 0.07 0.37 -0.03 0.77 -0.21 0.00 0.00 178.00 178.97 2j16 h SER 121 N 0.52 -0.07 -0.71 -2.05 0.02 -1.84 -1.76 113.55 107.65 2j16 h SER 121 Ca 0.14 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2j16 h SER 121 Cb -0.03 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 2j16 h SER 121 CO -0.03 0.13 0.37 -0.07 -1.14 0.00 0.00 176.83 176.09 2j16 h LEU 122 N -0.27 0.91 -0.59 5.07 3.38 -1.06 -0.30 115.31 122.44 2j16 h LEU 122 Ca -0.01 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 2j16 h LEU 122 Cb 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2j16 h LEU 122 CO 0.01 0.76 -0.70 0.71 0.09 0.00 0.00 178.44 179.32 2j16 h THR 123 N 0.99 1.48 -0.65 0.22 1.35 -1.32 -2.40 112.91 112.58 2j16 h THR 123 Ca 0.25 -2.33 -0.03 0.00 -0.55 0.00 0.00 66.41 63.75 2j16 h THR 123 Cb 0.07 2.26 -0.03 0.00 -1.73 0.00 0.00 68.15 68.71 2j16 h THR 123 CO -0.04 0.67 0.30 -1.28 -0.25 0.00 0.00 175.52 174.92 2j16 h SER 124 N 0.04 0.86 -0.08 5.36 0.87 -0.97 -1.87 113.55 117.77 2j16 h SER 124 Ca -0.01 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2j16 h SER 124 Cb 1.23 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2j16 h SER 124 CO 0.09 0.76 0.04 0.40 -0.53 0.00 0.00 176.83 177.60 2j16 h ILE 125 N 0.90 1.09 -0.45 2.23 2.04 -0.73 -0.82 117.51 121.77 2j16 h ILE 125 Ca 0.22 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.86 2j16 h ILE 125 Cb 0.14 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 2j16 h ILE 125 CO -0.03 0.08 0.25 0.40 0.00 0.00 0.00 178.15 178.85 2j16 h ILE 126 N 0.02 1.00 -0.68 -0.67 2.04 -1.42 -1.93 117.51 115.89 2j16 h ILE 126 Ca 0.03 -0.17 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 2j16 h ILE 126 Cb 0.09 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 2j16 h ILE 126 CO -0.00 0.09 0.14 -0.74 0.00 0.00 0.00 178.15 177.63 2j16 h HIS 127 N 0.49 1.16 -0.26 1.37 2.76 -1.21 -1.62 115.15 117.84 2j16 h HIS 127 Ca 0.19 -0.15 -0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2j16 h HIS 127 Cb 0.06 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.68 2j16 h HIS 127 CO -0.09 0.96 0.14 0.00 -1.30 0.00 0.00 177.93 177.64 2j16 h ALA 128 N 1.10 1.76 -0.17 5.26 0.00 -0.89 -1.54 119.26 124.77 2j16 h ALA 128 Ca 0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2j16 h ALA 128 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2j16 h ALA 128 CO 0.01 0.21 -0.03 0.00 0.00 0.00 0.00 179.25 179.44 2j16 h ALA 129 N 1.80 0.24 -0.46 0.00 0.00 -0.51 -2.65 119.26 117.67 2j16 h ALA 129 Ca 0.09 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2j16 h ALA 129 Cb 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2j16 h ALA 129 CO -0.02 -0.02 -0.04 1.79 0.00 0.00 0.00 179.25 180.96 2j16 h THR 130 N 0.04 1.25 -0.80 0.00 1.35 -1.06 -1.58 112.91 112.11 2j16 h THR 130 Ca 0.05 -1.06 0.01 0.00 -0.55 0.00 0.00 66.41 64.86 2j16 h THR 130 Cb 0.44 0.94 -0.04 0.00 -1.73 0.00 0.00 68.15 67.76 2j16 h THR 130 CO 0.01 0.37 0.53 0.74 -0.25 0.00 0.00 175.52 176.92 2j16 h THR 131 N 0.72 1.21 -0.01 6.82 2.02 -1.30 0.35 112.91 122.71 2j16 h THR 131 Ca 0.13 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2j16 h THR 131 Cb 0.50 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2j16 h THR 131 CO 0.03 0.20 0.00 0.29 0.37 0.00 0.00 175.52 176.40 2j16 n LYS 132 N -4.41 1.06 -3.90 6.66 5.02 -0.82 -4.92 118.16 116.86 2j16 n LYS 132 Ca 0.09 -0.10 -0.28 0.00 -2.02 0.00 0.00 58.31 56.00 2j16 n LYS 132 Cb 0.03 -1.31 0.02 0.00 -0.02 0.00 0.00 35.03 33.75 2j16 n LYS 132 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2j16 n ARG 133 N -0.70 -5.02 -4.05 1.97 1.74 0.11 -4.98 116.66 105.73 2j16 n ARG 133 Ca 0.15 0.57 -0.27 0.00 -0.77 0.00 0.00 57.85 57.52 2j16 n ARG 133 Cb 0.09 -5.31 -0.05 0.00 -1.02 0.00 0.00 32.46 26.17 2j16 n ARG 133 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2j16 s GLU 134 N -6.51 3.00 -0.23 5.56 2.02 -0.66 -5.02 118.70 116.87 2j16 s GLU 134 Ca 0.48 -0.79 -0.29 0.00 0.02 0.00 0.00 54.97 54.39 2j16 s GLU 134 Cb -0.24 -2.72 0.01 0.00 0.10 0.00 0.00 34.13 31.27 2j16 s GLU 134 CO 0.84 0.51 1.02 0.15 0.02 0.00 0.00 175.26 177.79 2j16 s LYS 135 N -3.01 4.26 -0.13 1.61 1.02 -1.26 -4.60 119.74 117.62 2j16 s LYS 135 Ca 0.31 1.31 0.01 0.00 0.02 0.00 0.00 55.97 57.63 2j16 s LYS 135 Cb -0.11 -3.64 -0.00 0.00 -0.52 0.00 0.00 37.83 33.56 2j16 s LYS 135 CO 0.24 -0.61 -0.18 -1.50 -0.92 0.00 0.00 175.35 172.39 2j16 s ILE 136 N 3.13 2.55 -0.16 2.17 1.10 -0.90 -1.37 121.20 127.72 2j16 s ILE 136 Ca 0.43 -0.83 -0.02 0.00 -0.51 0.00 0.00 60.65 59.72 2j16 s ILE 136 Cb -0.15 -2.04 -0.02 0.00 0.15 0.00 0.00 42.46 40.40 2j16 s ILE 136 CO 0.06 0.53 -0.08 -0.22 -2.11 0.00 0.00 174.94 173.13 2j16 s LEU 137 N 0.55 2.95 -0.17 8.50 2.96 -0.35 -0.50 118.68 132.61 2j16 s LEU 137 Ca -0.11 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 2j16 s LEU 137 Cb -0.16 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.84 2j16 s LEU 137 CO 0.04 0.13 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.40 2j16 s ILE 138 N 0.57 2.39 0.24 6.68 1.01 -0.23 -0.13 121.20 131.74 2j16 s ILE 138 Ca -0.05 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.77 2j16 s ILE 138 Cb -0.15 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 2j16 s ILE 138 CO 0.03 0.52 0.18 -1.38 0.00 0.00 0.00 174.94 174.29 2j16 s HIS 139 N 1.14 1.29 -0.27 3.97 -3.43 -0.18 -2.63 115.29 115.19 2j16 s HIS 139 Ca 0.01 -1.44 -0.08 0.00 -0.80 0.00 0.00 55.06 52.75 2j16 s HIS 139 Cb -0.14 -0.58 0.12 0.00 -1.43 0.00 0.00 32.58 30.56 2j16 s HIS 139 CO -0.07 -0.71 0.57 -0.65 -2.00 0.00 0.00 174.74 171.87 2j16 s GLN 141 N -3.96 0.49 -0.15 -0.38 1.11 -1.26 -1.00 119.66 114.51 2j16 s GLN 141 Ca 0.39 1.26 0.11 0.00 0.01 0.00 0.00 55.36 57.12 2j16 s GLN 141 Cb 0.06 0.63 -0.23 0.00 -1.01 0.00 0.00 33.01 32.46 2j16 s GLN 141 CO 0.16 -0.27 0.23 0.00 0.01 0.00 0.00 175.29 175.42 2j16 n GLY 143 N 1.81 1.39 2.40 0.00 0.00 -1.26 -4.68 105.19 104.85 2j16 n GLY 143 Ca -0.30 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.54 2j16 n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2j16 n LEU 144 N 0.00 -0.67 -0.06 0.99 7.99 -1.26 -4.72 117.00 119.27 2j16 n LEU 144 Ca 0.00 0.31 -0.11 0.00 -0.01 0.00 0.00 56.01 56.20 2j16 n LEU 144 Cb 0.00 -1.66 -0.04 0.00 -0.11 0.00 0.00 43.42 41.62 2j16 n LEU 144 CO 0.00 -0.10 -0.67 -1.20 -1.51 0.00 0.00 177.39 173.91 2j16 n SER 145 N -1.55 1.53 -0.06 -1.43 7.64 -1.26 -3.33 113.62 115.15 2j16 n SER 145 Ca -0.09 0.25 -0.15 0.00 1.01 0.00 0.00 58.87 59.89 2j16 n SER 145 Cb 0.54 -0.58 -0.04 0.00 -1.01 0.00 0.00 64.21 63.13 2j16 n SER 145 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2j16 h ARG 146 N -0.65 0.83 -0.27 1.43 3.08 -1.92 -1.22 114.38 115.66 2j16 h ARG 146 Ca -0.16 -0.56 -0.14 0.00 0.07 0.00 0.00 59.98 59.19 2j16 h ARG 146 Cb 0.91 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 2j16 h ARG 146 CO -0.09 1.19 -0.41 0.66 -1.07 0.00 0.00 179.97 180.24 2j16 h SER 147 N 0.62 0.70 -0.32 7.04 4.64 -1.94 -0.77 113.55 123.52 2j16 h SER 147 Ca -0.00 -0.32 -0.06 0.00 -0.47 0.00 0.00 61.79 60.94 2j16 h SER 147 Cb 1.21 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 2j16 h SER 147 CO 0.13 1.02 -0.05 0.00 -0.87 0.00 0.00 176.83 177.06 2j16 h ALA 148 N 1.01 0.43 -0.68 5.18 0.00 -1.75 -1.51 119.26 121.95 2j16 h ALA 148 Ca 0.04 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.77 2j16 h ALA 148 Cb 0.94 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 2j16 h ALA 148 CO 0.08 0.24 0.34 1.15 0.00 0.00 0.00 179.25 181.06 2j16 h THR 149 N 0.38 0.87 -0.33 0.00 2.02 -1.11 0.34 112.91 115.08 2j16 h THR 149 Ca 0.08 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 2j16 h THR 149 Cb 0.52 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2j16 h THR 149 CO 0.03 0.11 0.11 0.25 0.37 0.00 0.00 175.52 176.38 2j16 h LEU 150 N 0.59 0.48 -0.67 2.58 5.85 -0.94 0.79 115.31 123.99 2j16 h LEU 150 Ca 0.33 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 2j16 h LEU 150 Cb 0.32 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2j16 h LEU 150 CO -0.25 0.55 0.14 0.40 -0.34 0.00 0.00 178.44 178.94 2j16 h ILE 151 N 0.38 1.26 -0.30 4.05 2.04 -0.81 -1.72 117.51 122.41 2j16 h ILE 151 Ca 0.11 -1.00 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 2j16 h ILE 151 Cb 0.24 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2j16 h ILE 151 CO -0.00 0.38 0.08 0.40 0.00 0.00 0.00 178.15 179.00 2j16 h ILE 152 N 1.02 1.21 -0.86 -0.67 2.04 -0.75 -1.64 117.51 117.85 2j16 h ILE 152 Ca 0.21 -0.70 0.08 0.00 1.00 0.00 0.00 64.86 65.45 2j16 h ILE 152 Cb 0.41 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 2j16 h ILE 152 CO 0.01 0.23 0.56 0.00 0.00 0.00 0.00 178.15 178.95 2j16 h ALA 153 N 0.91 1.62 -0.31 1.87 0.00 -0.61 -0.29 119.26 122.45 2j16 h ALA 153 Ca 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2j16 h ALA 153 Cb 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2j16 h ALA 153 CO -0.00 0.22 0.13 -0.92 0.00 0.00 0.00 179.25 178.67 2j16 h TYR 154 N 0.89 0.47 -0.37 0.00 3.20 -0.89 -2.50 116.97 117.78 2j16 h TYR 154 Ca 0.39 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.19 2j16 h TYR 154 Cb 0.33 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 2j16 h TYR 154 CO -0.00 0.45 0.10 0.82 -1.64 0.00 0.00 178.16 177.89 2j16 h ILE 155 N 0.36 1.22 -0.22 1.81 2.04 -0.65 -0.76 117.51 121.30 2j16 h ILE 155 Ca 0.10 -0.74 0.05 0.00 1.00 0.00 0.00 64.86 65.27 2j16 h ILE 155 Cb 0.18 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 2j16 h ILE 155 CO -0.01 0.25 -0.09 0.24 0.00 0.00 0.00 178.15 178.55 2j16 h MET 156 N 0.45 -0.05 0.05 2.37 2.86 -1.05 -1.93 114.93 117.63 2j16 h MET 156 Ca 0.12 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2j16 h MET 156 Cb 0.29 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2j16 h MET 156 CO -0.00 -0.04 -0.02 -0.22 1.06 0.00 0.00 176.91 177.69 2j16 h LYS 157 N -0.06 -0.07 -0.00 1.72 3.64 -1.34 -2.58 116.57 117.89 2j16 h LYS 157 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2j16 h LYS 157 Cb 0.23 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2j16 h LYS 157 CO -0.26 0.53 -0.37 0.66 -2.27 0.00 0.00 179.45 177.75 2j16 n TYR 158 N -4.81 0.00 -0.37 1.91 4.01 -0.30 -3.23 117.16 114.37 2j16 n TYR 158 Ca -0.08 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.68 2j16 n TYR 158 Cb 0.31 -0.22 0.04 0.00 -0.31 0.00 0.00 39.34 39.16 2j16 n TYR 158 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2j16 n HIS 159 N -1.19 0.00 -4.01 -0.72 8.25 -0.73 -5.03 115.22 111.79 2j16 n HIS 159 Ca 0.08 -0.62 -0.37 0.00 -0.26 0.00 0.00 57.72 56.56 2j16 n HIS 159 Cb 0.34 -0.08 0.01 0.00 1.12 0.00 0.00 29.99 31.38 2j16 n HIS 159 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2j16 n ASN 160 N -0.75 -2.93 -4.47 0.41 5.15 -1.07 -4.95 115.26 106.66 2j16 n ASN 160 Ca 0.05 -1.03 -0.27 0.00 -0.60 0.00 0.00 54.58 52.73 2j16 n ASN 160 Cb 0.38 -1.23 -0.11 0.00 -0.53 0.00 0.00 39.78 38.28 2j16 n ASN 160 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2j16 s LEU 161 N -6.94 2.59 0.94 1.20 1.43 -0.99 -5.05 118.68 111.85 2j16 s LEU 161 Ca 0.36 -0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 52.54 2j16 s LEU 161 Cb -0.20 -1.29 0.15 0.00 0.03 0.00 0.00 46.19 44.88 2j16 s LEU 161 CO 0.77 0.11 1.09 -0.94 0.23 0.00 0.00 176.35 177.60 2j16 s SER 162 N -2.80 3.08 0.19 2.29 1.04 -1.26 -4.39 113.70 111.85 2j16 s SER 162 Ca 0.23 1.47 -0.12 0.00 0.48 0.00 0.00 55.95 58.01 2j16 s SER 162 Cb -0.08 -2.14 0.12 0.00 0.10 0.00 0.00 66.02 64.02 2j16 s SER 162 CO 0.12 -2.89 1.85 0.25 0.98 0.00 0.00 173.24 173.55 2j16 h LEU 163 N -1.72 0.77 -0.13 2.42 5.85 -1.97 -1.88 115.31 118.66 2j16 h LEU 163 Ca -0.51 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.20 2j16 h LEU 163 Cb 1.30 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 2j16 h LEU 163 CO 0.54 0.57 -0.03 -0.09 -0.34 0.00 0.00 178.44 179.10 2j16 h ARG 164 N 0.90 0.01 -0.37 1.25 9.65 -1.99 -0.55 114.38 123.28 2j16 h ARG 164 Ca 0.24 -0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 59.07 2j16 h ARG 164 Cb -0.08 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 2j16 h ARG 164 CO -0.05 0.01 0.03 0.45 2.80 0.00 0.00 179.97 183.20 2j16 h HIS 165 N 0.01 0.68 0.11 2.20 3.86 -1.90 -0.04 115.15 120.07 2j16 h HIS 165 Ca 0.06 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2j16 h HIS 165 Cb 0.09 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 2j16 h HIS 165 CO -0.17 0.70 -0.08 0.77 0.86 0.00 0.00 177.93 180.02 2j16 h SER 166 N 0.46 -0.21 -0.41 2.45 0.02 -1.22 0.80 113.55 115.44 2j16 h SER 166 Ca 0.11 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.13 2j16 h SER 166 Cb 0.41 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.97 2j16 h SER 166 CO 0.01 -0.13 0.11 0.22 -1.14 0.00 0.00 176.83 175.90 2j16 h TYR 167 N -0.20 0.19 -0.91 3.45 3.20 -1.05 -2.21 116.97 119.44 2j16 h TYR 167 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2j16 h TYR 167 Cb 0.18 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 2j16 h TYR 167 CO -0.09 0.05 0.57 -0.44 -1.64 0.00 0.00 178.16 176.61 2j16 h ASP 168 N 0.26 1.07 -0.12 -2.11 3.32 -0.67 0.24 116.42 118.41 2j16 h ASP 168 Ca 0.19 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2j16 h ASP 168 Cb 0.21 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2j16 h ASP 168 CO -0.23 0.80 0.05 -0.07 -1.72 0.00 0.00 179.24 178.08 2j16 h LEU 169 N 1.24 0.16 -0.29 1.55 3.38 -0.57 -1.10 115.31 119.68 2j16 h LEU 169 Ca 0.33 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2j16 h LEU 169 Cb -0.09 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2j16 h LEU 169 CO -0.07 0.28 0.00 0.25 0.09 0.00 0.00 178.44 179.00 2j16 h LEU 170 N 0.04 0.51 -0.42 1.67 5.85 -1.16 -3.11 115.31 118.69 2j16 h LEU 170 Ca 0.04 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.53 2j16 h LEU 170 Cb 0.17 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 2j16 h LEU 170 CO -0.00 0.69 -0.03 0.50 -0.34 0.00 0.00 178.44 179.26 2j16 h LYS 171 N 0.31 0.07 -0.30 1.25 1.63 -0.44 0.34 116.57 119.44 2j16 h LYS 171 Ca 0.08 -0.00 0.09 0.00 -0.85 0.00 0.00 60.65 59.97 2j16 h LYS 171 Cb 0.43 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 2j16 h LYS 171 CO 0.02 0.05 0.24 0.77 -3.45 0.00 0.00 179.45 177.07 2j16 h SER 172 N 0.08 0.00 0.02 4.20 0.02 -1.13 -2.60 113.55 114.13 2j16 h SER 172 Ca 0.21 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.77 2j16 h SER 172 Cb 0.31 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.78 2j16 h SER 172 CO -0.37 0.00 -2.41 -1.14 -1.14 0.00 0.00 176.83 171.77 2j16 n ARG 173 N -4.24 0.67 -3.90 3.45 3.00 -0.70 -4.69 116.66 110.25 2j16 n ARG 173 Ca 0.04 0.16 -0.29 0.00 -0.00 0.00 0.00 57.85 57.76 2j16 n ARG 173 Cb 0.40 -1.55 -0.12 0.00 0.00 0.00 0.00 32.46 31.19 2j16 n ARG 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2j16 s ALA 174 N -2.52 3.66 0.53 5.13 0.00 0.11 -4.97 121.76 123.69 2j16 s ALA 174 Ca -0.32 -3.63 0.24 0.00 0.00 0.00 0.00 51.96 48.25 2j16 s ALA 174 Cb 0.09 -2.22 1.38 0.00 0.00 0.00 0.00 23.12 22.36 2j16 s ALA 174 CO 0.63 -2.07 2.02 0.22 0.00 0.00 0.00 175.76 176.55 2j16 h ASP 175 N 5.87 0.01 0.26 0.00 -0.00 -1.71 -2.90 116.42 117.95 2j16 h ASP 175 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.09 2j16 h ASP 175 Cb 0.81 -0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.14 2j16 h ASP 175 CO 0.72 0.00 -0.03 0.29 -0.00 0.00 0.00 179.24 180.22 2j16 n LYS 176 N -4.40 0.80 -2.19 0.28 4.01 -1.26 -4.89 118.16 110.50 2j16 n LYS 176 Ca 0.08 -0.14 -0.41 0.00 -0.51 0.00 0.00 58.31 57.33 2j16 n LYS 176 Cb 0.54 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.53 2j16 n LYS 176 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 2j16 s ILE 177 N -2.30 3.07 -0.33 -0.18 -4.36 -1.10 -5.01 121.20 111.00 2j16 s ILE 177 Ca 0.36 0.93 0.01 0.00 -0.26 0.00 0.00 60.65 61.69 2j16 s ILE 177 Cb 0.21 -3.59 0.14 0.00 1.25 0.00 0.00 42.46 40.47 2j16 s ILE 177 CO 0.42 0.16 0.32 0.54 0.24 0.00 0.00 174.94 176.63 2j16 s ASN 178 N 0.08 1.58 0.67 4.36 4.22 -1.21 -5.06 114.94 119.58 2j16 s ASN 178 Ca 0.54 -1.17 -0.16 0.00 -2.14 0.00 0.00 52.86 49.93 2j16 s ASN 178 Cb -0.37 0.46 0.01 0.00 1.28 0.00 0.00 41.25 42.62 2j16 s ASN 178 CO 0.42 -0.33 1.20 -2.16 -2.04 0.00 0.00 177.10 174.18 2j16 s PRO 179 N 1.92 2.53 0.85 3.55 0.04 -1.26 -4.46 135.00 138.17 2j16 s PRO 179 Ca 0.13 1.75 -0.11 0.00 0.04 0.00 0.00 61.00 62.81 2j16 s PRO 179 Cb -0.15 -1.88 0.10 0.00 0.04 0.00 0.00 34.50 32.61 2j16 s PRO 179 CO -0.20 -1.53 1.09 -1.54 0.04 0.00 0.00 177.00 174.86 2j16 s SER 180 N -1.92 3.90 0.40 6.66 1.04 -1.26 -4.83 113.70 117.69 2j16 s SER 180 Ca 0.75 1.48 0.09 0.00 0.48 0.00 0.00 55.95 58.76 2j16 s SER 180 Cb -0.29 -2.19 0.83 0.00 0.10 0.00 0.00 66.02 64.48 2j16 s SER 180 CO 0.40 -2.37 1.97 0.40 0.98 0.00 0.00 173.24 174.62 2j16 h ILE 181 N -1.36 1.14 -0.41 -1.02 2.04 -1.99 -0.83 117.51 115.08 2j16 h ILE 181 Ca -0.48 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 64.86 2j16 h ILE 181 Cb 1.27 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 2j16 h ILE 181 CO 0.55 0.19 0.16 1.23 0.00 0.00 0.00 178.15 180.28 2j16 h GLY 182 N 0.62 0.54 1.71 5.37 0.00 -1.99 -0.88 103.07 108.44 2j16 h GLY 182 Ca 0.07 -0.10 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 2j16 h GLY 182 CO 0.01 0.04 -0.53 1.41 0.00 0.00 0.00 176.54 177.47 2j16 h LEU 183 N 0.33 0.34 -0.38 3.11 3.38 -1.66 -1.83 115.31 118.60 2j16 h LEU 183 Ca 0.19 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2j16 h LEU 183 Cb 0.15 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2j16 h LEU 183 CO -0.18 0.80 0.12 0.40 0.09 0.00 0.00 178.44 179.68 2j16 h ILE 184 N 0.24 1.21 -0.46 1.22 1.08 -0.93 -1.06 117.51 118.81 2j16 h ILE 184 Ca 0.01 -0.70 -0.02 0.00 -0.39 0.00 0.00 64.86 63.76 2j16 h ILE 184 Cb 1.01 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 35.69 2j16 h ILE 184 CO 0.09 0.25 0.20 -0.26 -0.69 0.00 0.00 178.15 177.73 2j16 h PHE 185 N 0.47 0.64 -0.88 1.37 0.04 -1.07 -0.51 116.94 117.00 2j16 h PHE 185 Ca 0.12 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.89 2j16 h PHE 185 Cb 0.26 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.16 2j16 h PHE 185 CO 0.01 0.49 0.59 0.37 -0.60 0.00 0.00 178.31 179.16 2j16 h GLN 186 N 0.64 1.16 -0.06 1.51 5.75 -0.95 -1.20 115.11 121.96 2j16 h GLN 186 Ca 0.16 -0.07 -0.13 0.00 -0.15 0.00 0.00 58.65 58.46 2j16 h GLN 186 Cb 0.10 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.37 2j16 h GLN 186 CO -0.02 0.77 -0.54 -0.07 -2.65 0.00 0.00 178.83 176.32 2j16 h LEU 187 N 1.19 0.19 -0.31 -2.39 3.38 -0.12 -1.10 115.31 116.15 2j16 h LEU 187 Ca 0.33 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2j16 h LEU 187 Cb -0.13 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2j16 h LEU 187 CO -0.07 0.69 0.10 0.24 0.09 0.00 0.00 178.44 179.48 2j16 h MET 188 N 0.13 0.48 -0.33 1.13 2.86 -0.74 -1.26 114.93 117.21 2j16 h MET 188 Ca 0.00 -0.10 0.05 0.00 -2.06 0.00 0.00 59.70 57.59 2j16 h MET 188 Cb 0.99 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.53 2j16 h MET 188 CO 0.08 0.52 0.03 1.49 1.06 0.00 0.00 176.91 180.09 2j16 h GLU 189 N 0.34 0.13 -0.94 1.72 4.81 -1.07 -2.30 114.58 117.27 2j16 h GLU 189 Ca 0.10 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.43 2j16 h GLU 189 Cb 0.24 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.51 2j16 h GLU 189 CO -0.00 0.08 0.57 2.35 -0.73 0.00 0.00 179.01 181.28 2j16 h TRP 190 N 0.13 1.03 -0.51 0.92 2.91 -1.03 -2.17 115.95 117.23 2j16 h TRP 190 Ca 0.16 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.18 2j16 h TRP 190 Cb 0.20 -0.32 -0.02 0.00 -0.51 0.00 0.00 29.16 28.51 2j16 h TRP 190 CO -0.21 0.41 0.21 1.49 -1.03 0.00 0.00 178.44 179.31 2j16 h GLU 191 N 0.92 0.76 -0.64 2.65 4.81 -0.69 -1.77 114.58 120.62 2j16 h GLU 191 Ca 0.46 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.56 2j16 h GLU 191 Cb 0.45 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 2j16 h GLU 191 CO -0.26 0.67 0.42 0.28 -0.73 0.00 0.00 179.01 179.39 2j16 h VAL 192 N 0.69 1.17 0.00 0.32 2.07 -1.09 -1.54 116.25 117.86 2j16 h VAL 192 Ca 0.17 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2j16 h VAL 192 Cb 0.19 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2j16 h VAL 192 CO -0.01 0.16 -0.09 0.00 0.02 0.00 0.00 177.57 177.65 2j16 h ALA 193 N 1.23 1.23 0.05 1.67 0.00 -1.18 -2.24 119.26 120.02 2j16 h ALA 193 Ca 0.23 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.81 2j16 h ALA 193 Cb -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2j16 h ALA 193 CO -0.05 0.11 -1.23 -0.07 0.00 0.00 0.00 179.25 178.01 2j16 h LEU 194 N 0.00 0.15 0.00 0.00 3.38 -0.41 -3.36 115.31 115.07 2j16 h LEU 194 Ca -0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2j16 h LEU 194 Cb 0.30 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2j16 h LEU 194 CO 0.01 1.15 -0.68 0.59 0.09 0.00 0.00 178.44 179.59 2j16 n ASN 195 N -3.36 0.66 0.07 -0.43 3.02 -0.73 -4.05 115.26 110.43 2j16 n ASN 195 Ca -0.07 0.04 0.12 0.00 -0.03 0.00 0.00 54.58 54.63 2j16 n ASN 195 Cb 0.99 0.28 0.45 0.00 -0.61 0.00 0.00 39.78 40.89 2j16 n ASN 195 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j16 n ALA 196 N -1.80 1.97 0.00 5.41 0.00 -0.88 -5.10 120.51 120.11 2j16 n ALA 196 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2j16 n ALA 196 Cb 0.43 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2j16 n ALA 196 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86