#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3is2 n HIS 37 N 0.00 1.63 -1.65 1.12 8.25 -1.26 -5.10 115.22 118.21 3is2 n HIS 37 Ca 0.00 -3.06 -0.45 0.00 -0.26 0.00 0.00 57.72 53.95 3is2 n HIS 37 Cb 0.00 -0.33 -0.02 0.00 1.12 0.00 0.00 29.99 30.76 3is2 n HIS 37 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3is2 n THR 38 N -0.11 1.34 -4.06 1.59 -1.04 -1.26 -5.01 114.28 105.73 3is2 n THR 38 Ca 0.19 -0.33 -0.32 0.00 -2.04 0.00 0.00 64.05 61.55 3is2 n THR 38 Cb 0.74 -1.34 -0.06 0.00 -1.82 0.00 0.00 70.33 67.85 3is2 n THR 38 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3is2 s LEU 39 N -0.03 3.90 -0.09 -4.42 1.02 -1.26 -4.98 118.68 112.83 3is2 s LEU 39 Ca 0.64 0.09 0.02 0.00 0.02 0.00 0.00 54.13 54.90 3is2 s LEU 39 Cb -0.67 -2.44 -0.02 0.00 0.02 0.00 0.00 46.19 43.09 3is2 s LEU 39 CO 0.54 0.22 -0.14 -0.31 0.02 0.00 0.00 176.35 176.68 3is2 s TYR 40 N -1.31 2.75 -0.00 0.29 2.02 -1.26 -5.02 117.35 114.81 3is2 s TYR 40 Ca 0.27 -0.41 -0.32 0.00 -0.37 0.00 0.00 57.07 56.24 3is2 s TYR 40 Cb -0.12 -1.73 -0.10 0.00 -0.40 0.00 0.00 41.96 39.60 3is2 s TYR 40 CO 0.19 -0.02 1.92 0.00 -1.57 0.00 0.00 175.55 176.08 3is2 n ALA 41 N 2.91 1.34 -1.93 3.71 0.00 -1.26 -4.90 120.51 120.38 3is2 n ALA 41 Ca -0.18 0.25 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 3is2 n ALA 41 Cb 0.52 -2.60 -0.03 0.00 0.00 0.00 0.00 19.45 17.35 3is2 n ALA 41 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3is2 s PRO 42 N 4.12 4.21 0.00 0.00 0.04 -1.26 -1.45 135.00 140.66 3is2 s PRO 42 Ca 0.90 2.35 0.00 0.00 0.04 0.00 0.00 61.00 64.29 3is2 s PRO 42 Cb -0.55 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 30.68 3is2 s PRO 42 CO 0.45 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 177.25 3is2 n GLY 43 N 3.84 0.59 5.75 0.56 0.00 -1.26 -4.99 105.19 109.67 3is2 n GLY 43 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.17 3is2 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3is2 n GLY 44 N -2.01 -1.95 3.55 -0.02 0.00 -0.53 -4.96 105.19 99.28 3is2 n GLY 44 Ca 0.00 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 3is2 n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3is2 s TYR 45 N -0.23 2.67 -1.50 1.61 1.51 -1.26 -4.85 117.35 115.30 3is2 s TYR 45 Ca 0.00 -0.20 -0.10 0.00 -1.01 0.00 0.00 57.07 55.76 3is2 s TYR 45 Cb 0.00 -1.39 0.01 0.00 -0.11 0.00 0.00 41.96 40.47 3is2 s TYR 45 CO 0.00 0.42 2.57 -3.47 -1.11 0.00 0.00 175.55 173.97 3is2 n ASP 46 N 0.65 7.10 -0.06 2.29 2.03 -1.26 -4.73 116.55 122.57 3is2 n ASP 46 Ca -0.14 -2.80 -0.07 0.00 0.52 0.00 0.00 54.79 52.30 3is2 n ASP 46 Cb 0.53 -1.54 -0.01 0.00 -0.72 0.00 0.00 41.12 39.38 3is2 n ASP 46 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3is2 h ILE 47 N 3.24 0.57 -0.75 5.18 1.08 -1.99 -0.92 117.51 123.91 3is2 h ILE 47 Ca 0.72 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 65.23 3is2 h ILE 47 Cb 0.41 0.57 -0.05 0.00 -3.07 0.00 0.00 36.82 34.67 3is2 h ILE 47 CO 1.74 0.00 0.47 0.24 -0.69 0.00 0.00 178.15 179.91 3is2 h MET 48 N -0.12 0.87 -0.16 2.37 2.86 -2.00 -0.08 114.93 118.67 3is2 h MET 48 Ca 0.14 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 3is2 h MET 48 Cb 0.33 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3is2 h MET 48 CO -0.34 0.57 -0.12 0.78 1.06 0.00 0.00 176.91 178.87 3is2 h GLY 49 N 0.89 0.27 1.85 8.32 0.00 -1.80 -1.82 103.07 110.78 3is2 h GLY 49 Ca 0.31 -0.16 -0.20 0.00 0.00 0.00 0.00 47.33 47.28 3is2 h GLY 49 CO -0.13 0.15 -0.93 -0.97 0.00 0.00 0.00 176.54 174.66 3is2 h TYR 50 N 0.24 0.21 -0.38 5.60 0.05 0.03 -1.32 116.97 121.39 3is2 h TYR 50 Ca 0.05 -0.12 -0.12 0.00 0.05 0.00 0.00 58.73 58.58 3is2 h TYR 50 Cb 0.36 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 3is2 h TYR 50 CO 0.01 0.98 -0.25 -0.07 -1.05 0.00 0.00 178.16 177.78 3is2 h LEU 51 N 0.06 0.79 -0.43 3.88 3.38 -0.69 0.05 115.31 122.35 3is2 h LEU 51 Ca -0.04 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.51 3is2 h LEU 51 Cb 1.60 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 3is2 h LEU 51 CO 0.14 1.01 -0.22 0.40 0.09 0.00 0.00 178.44 179.85 3is2 h ILE 52 N 0.67 1.27 -0.35 1.22 2.04 -1.29 -1.79 117.51 119.28 3is2 h ILE 52 Ca 0.09 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.58 3is2 h ILE 52 Cb 0.77 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 3is2 h ILE 52 CO 0.06 0.47 0.23 -0.61 0.00 0.00 0.00 178.15 178.30 3is2 h GLN 53 N 0.74 0.46 -0.29 2.37 4.15 -0.96 -2.07 115.11 119.52 3is2 h GLN 53 Ca 0.09 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 3is2 h GLN 53 Cb 0.79 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 3is2 h GLN 53 CO 0.07 0.30 0.15 0.82 -1.93 0.00 0.00 178.83 178.24 3is2 h ILE 54 N 0.47 1.14 0.00 2.39 2.04 -0.85 -1.71 117.51 121.00 3is2 h ILE 54 Ca 0.13 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3is2 h ILE 54 Cb -0.05 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3is2 h ILE 54 CO -0.03 0.14 -0.04 0.24 0.00 0.00 0.00 178.15 178.46 3is2 h MET 55 N 0.34 0.00 -0.20 2.37 2.86 -1.22 -2.66 114.93 116.42 3is2 h MET 55 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3is2 h MET 55 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3is2 h MET 55 CO -0.01 0.04 0.00 0.09 1.06 0.00 0.00 176.91 178.09 3is2 n ASN 56 N -3.25 3.09 -4.73 1.22 3.02 -0.79 -5.00 115.26 108.83 3is2 n ASN 56 Ca -0.01 -1.94 -0.42 0.00 -0.03 0.00 0.00 54.58 52.18 3is2 n ASN 56 Cb 0.22 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.25 3is2 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3is2 s ARG 57 N -1.62 4.13 0.26 3.52 1.70 -0.68 -4.93 118.95 121.33 3is2 s ARG 57 Ca 0.31 2.59 -0.02 0.00 -0.47 0.00 0.00 55.73 58.14 3is2 s ARG 57 Cb 0.20 -3.06 0.48 0.00 -0.57 0.00 0.00 34.95 31.99 3is2 s ARG 57 CO 0.28 -0.71 1.81 -1.00 -1.08 0.00 0.00 175.30 174.60 3is2 h PRO 58 N 6.26 0.81 -2.15 3.89 0.13 -1.92 -3.34 132.00 135.68 3is2 h PRO 58 Ca -0.44 -0.05 -0.55 0.00 -0.87 0.00 0.00 66.00 64.09 3is2 h PRO 58 Cb 1.21 -0.18 -0.41 0.00 0.13 0.00 0.00 31.00 31.74 3is2 h PRO 58 CO 0.91 0.54 -0.87 0.09 -0.23 0.00 0.00 178.00 178.44 3is2 n ASN 59 N -4.72 2.78 -4.66 1.44 3.02 -1.26 -5.10 115.26 106.76 3is2 n ASN 59 Ca 0.16 -3.35 -0.46 0.00 -0.03 0.00 0.00 54.58 50.91 3is2 n ASN 59 Cb 0.33 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 3is2 n ASN 59 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3is2 n PRO 60 N 0.17 2.01 0.03 3.52 -0.04 -1.26 -4.88 135.00 134.56 3is2 n PRO 60 Ca 0.28 0.72 0.03 0.00 -0.04 0.00 0.00 63.50 64.49 3is2 n PRO 60 Cb 0.50 -2.42 -0.09 0.00 -0.04 0.00 0.00 33.50 31.45 3is2 n PRO 60 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3is2 n GLN 61 N 2.62 0.63 -4.65 0.54 1.13 -1.26 -4.86 117.38 111.53 3is2 n GLN 61 Ca 0.14 0.11 -0.24 0.00 -1.94 0.00 0.00 57.00 55.08 3is2 n GLN 61 Cb 0.29 -1.74 -0.16 0.00 0.11 0.00 0.00 30.24 28.75 3is2 n GLN 61 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3is2 s VAL 62 N -3.07 1.15 -0.09 5.09 1.01 -1.26 -5.10 120.40 118.14 3is2 s VAL 62 Ca -0.04 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.17 3is2 s VAL 62 Cb 0.09 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 3is2 s VAL 62 CO 0.82 0.34 0.56 -1.61 0.00 0.00 0.00 175.10 175.21 3is2 s GLU 63 N 0.06 4.36 -0.07 2.72 8.01 -1.26 -4.93 118.70 127.59 3is2 s GLU 63 Ca -0.03 0.61 0.08 0.00 0.01 0.00 0.00 54.97 55.64 3is2 s GLU 63 Cb -0.10 -3.42 -0.11 0.00 -4.31 0.00 0.00 34.13 26.19 3is2 s GLU 63 CO 0.01 0.17 0.05 -0.11 0.01 0.00 0.00 175.26 175.39 3is2 n LEU 64 N 3.55 0.00 0.00 1.80 7.94 -1.26 -5.12 117.00 123.90 3is2 n LEU 64 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 3is2 n LEU 64 Cb 0.51 0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.65 3is2 n LEU 64 CO 0.44 0.18 0.00 0.61 -1.11 0.00 0.00 177.39 177.51 3is2 n GLY 65 N 2.43 -2.32 3.77 -3.96 0.00 -1.26 -4.86 105.19 98.99 3is2 n GLY 65 Ca -0.12 -1.56 -0.39 0.00 0.00 0.00 0.00 46.02 43.95 3is2 n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3is2 s PRO 66 N -0.60 3.94 0.05 1.61 0.04 -1.26 -4.98 135.00 133.79 3is2 s PRO 66 Ca 0.00 2.10 -0.00 0.00 0.04 0.00 0.00 61.00 63.14 3is2 s PRO 66 Cb 0.00 -2.71 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 3is2 s PRO 66 CO 0.00 -0.50 -0.04 0.14 0.04 0.00 0.00 177.00 176.64 3is2 s VAL 67 N -1.29 0.26 0.00 -0.36 -7.23 -1.26 -5.17 120.40 105.35 3is2 s VAL 67 Ca 0.58 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 3is2 s VAL 67 Cb -0.37 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.45 3is2 s VAL 67 CO 0.47 -0.81 0.00 -0.90 -0.31 0.00 0.00 175.10 173.55 3is2 n ASP 68 N 0.60 0.00 -0.15 4.85 5.68 -1.26 -4.97 116.55 121.31 3is2 n ASP 68 Ca -0.17 -0.78 0.07 0.00 -0.50 0.00 0.00 54.79 53.41 3is2 n ASP 68 Cb 0.59 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.94 3is2 n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3is2 n THR 69 N 0.00 0.07 -0.10 2.12 -2.24 -1.26 -4.92 114.28 107.95 3is2 n THR 69 Ca 0.00 -0.10 -0.05 0.00 -2.27 0.00 0.00 64.05 61.63 3is2 n THR 69 Cb 0.00 -0.07 0.02 0.00 -2.10 0.00 0.00 70.33 68.18 3is2 n THR 69 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3is2 n SER 70 N -0.43 4.61 -4.45 3.42 3.41 -1.26 -4.79 113.62 114.13 3is2 n SER 70 Ca 0.11 -2.49 -0.38 0.00 -0.26 0.00 0.00 58.87 55.85 3is2 n SER 70 Cb 0.11 -0.87 -0.12 0.00 -0.26 0.00 0.00 64.21 63.08 3is2 n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3is2 s ALA 72 N -0.64 3.27 0.11 7.33 0.00 -1.26 -4.72 121.76 125.86 3is2 s ALA 72 Ca 0.11 -1.32 -0.10 0.00 0.00 0.00 0.00 51.96 50.64 3is2 s ALA 72 Cb 0.09 -2.33 0.01 0.00 0.00 0.00 0.00 23.12 20.88 3is2 s ALA 72 CO 0.01 -0.80 0.25 -0.48 0.00 0.00 0.00 175.76 174.74 3is2 s LEU 73 N 1.62 1.11 0.08 0.00 0.05 -1.26 -0.86 118.68 119.43 3is2 s LEU 73 Ca 0.05 -0.62 -0.14 0.00 0.05 0.00 0.00 54.13 53.47 3is2 s LEU 73 Cb -0.17 1.25 0.02 0.00 -2.05 0.00 0.00 46.19 45.24 3is2 s LEU 73 CO 0.06 -0.79 0.32 0.27 -0.55 0.00 0.00 176.35 175.66 3is2 s ILE 74 N -3.87 0.09 -0.09 1.48 -4.36 -0.70 -1.74 121.20 112.01 3is2 s ILE 74 Ca 0.07 -0.74 0.04 0.00 -0.26 0.00 0.00 60.65 59.76 3is2 s ILE 74 Cb 0.04 -1.11 0.00 0.00 1.25 0.00 0.00 42.46 42.64 3is2 s ILE 74 CO -0.09 -0.41 -0.21 -0.22 0.24 0.00 0.00 174.94 174.25 3is2 s LEU 75 N -2.49 1.97 0.02 0.37 2.96 -0.65 -0.79 118.68 120.07 3is2 s LEU 75 Ca -0.00 -0.48 0.07 0.00 -0.22 0.00 0.00 54.13 53.50 3is2 s LEU 75 Cb 0.01 -1.24 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 3is2 s LEU 75 CO -0.08 0.13 -0.21 0.00 -1.32 0.00 0.00 176.35 174.87 3is2 s ASP 77 N -1.13 6.34 0.56 0.00 -1.08 0.28 -1.88 116.67 119.77 3is2 s ASP 77 Ca 0.13 -0.37 0.30 0.00 -0.52 0.00 0.00 52.55 52.09 3is2 s ASP 77 Cb -0.10 -2.41 1.69 0.00 -1.46 0.00 0.00 42.92 40.64 3is2 s ASP 77 CO 0.03 -1.11 2.17 -0.07 0.52 0.00 0.00 175.17 176.70 3is2 h LEU 78 N 10.61 0.00 -1.43 -1.34 3.38 -1.10 -2.81 115.31 122.62 3is2 h LEU 78 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3is2 h LEU 78 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3is2 h LEU 78 CO 1.04 0.06 0.00 0.29 0.09 0.00 0.00 178.44 179.92 3is2 n LYS 79 N -3.65 1.96 -4.18 1.13 4.01 -1.24 -4.74 118.16 111.45 3is2 n LYS 79 Ca -0.02 -1.42 -0.28 0.00 -0.51 0.00 0.00 58.31 56.08 3is2 n LYS 79 Cb 0.16 -1.45 -0.08 0.00 -0.51 0.00 0.00 35.03 33.15 3is2 n LYS 79 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 3is2 s GLN 80 N -1.84 2.43 -0.33 1.97 -0.21 -1.06 -5.05 119.66 115.58 3is2 s GLN 80 Ca 0.34 -1.00 -0.44 0.00 0.02 0.00 0.00 55.36 54.29 3is2 s GLN 80 Cb 0.20 -2.42 -0.19 0.00 1.00 0.00 0.00 33.01 31.59 3is2 s GLN 80 CO 0.30 0.49 1.50 1.17 -2.12 0.00 0.00 175.29 176.63 3is2 n LYS 81 N 0.20 0.23 -3.80 2.91 3.00 -1.26 -1.63 118.16 117.82 3is2 n LYS 81 Ca -0.10 0.09 -0.27 0.00 -0.00 0.00 0.00 58.31 58.02 3is2 n LYS 81 Cb 0.54 -1.62 0.04 0.00 0.00 0.00 0.00 35.03 33.99 3is2 n LYS 81 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3is2 n ASP 82 N 3.61 -4.41 -3.50 3.14 2.03 -1.26 -3.84 116.55 112.31 3is2 n ASP 82 Ca 0.27 -0.73 -0.19 0.00 0.52 0.00 0.00 54.79 54.66 3is2 n ASP 82 Cb 0.01 -4.20 0.00 0.00 -0.72 0.00 0.00 41.12 36.22 3is2 n ASP 82 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 3is2 n THR 83 N -4.66 -1.80 -1.86 5.18 5.66 -0.65 -4.43 114.28 111.71 3is2 n THR 83 Ca -0.04 -0.12 -0.34 0.00 -3.05 0.00 0.00 64.05 60.50 3is2 n THR 83 Cb 0.56 -1.58 0.04 0.00 -1.55 0.00 0.00 70.33 67.80 3is2 n THR 83 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 3is2 s PRO 84 N -4.68 2.86 -0.14 1.09 0.04 -1.25 -4.52 135.00 128.40 3is2 s PRO 84 Ca 0.10 1.54 -0.29 0.00 0.04 0.00 0.00 61.00 62.39 3is2 s PRO 84 Cb -0.05 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 3is2 s PRO 84 CO 0.55 -1.23 1.10 0.42 0.04 0.00 0.00 177.00 177.88 3is2 s ILE 85 N -2.07 4.57 -1.10 0.56 1.01 -0.90 -0.55 121.20 122.71 3is2 s ILE 85 Ca 0.71 1.87 0.10 0.00 0.00 0.00 0.00 60.65 63.32 3is2 s ILE 85 Cb -0.24 -4.20 0.13 0.00 0.01 0.00 0.00 42.46 38.16 3is2 s ILE 85 CO 0.37 -0.07 0.92 1.33 0.00 0.00 0.00 174.94 177.49 3is2 n VAL 86 N 4.92 0.27 -3.64 2.92 0.24 0.05 -1.02 118.33 122.07 3is2 n VAL 86 Ca 0.11 -0.63 -0.09 0.00 -2.04 0.00 0.00 64.34 61.69 3is2 n VAL 86 Cb 0.47 1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 33.78 3is2 n VAL 86 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3is2 s TYR 87 N -0.86 -0.48 -0.04 6.34 6.14 -1.17 -4.95 117.35 122.32 3is2 s TYR 87 Ca 0.14 1.17 -0.01 0.00 0.64 0.00 0.00 57.07 59.00 3is2 s TYR 87 Cb 0.09 0.36 0.03 0.00 0.42 0.00 0.00 41.96 42.86 3is2 s TYR 87 CO 0.13 -0.23 0.07 0.00 0.64 0.00 0.00 175.55 176.16 3is2 s ALA 88 N 0.28 -0.05 0.73 3.97 0.00 -1.26 -1.64 121.76 123.79 3is2 s ALA 88 Ca 0.03 0.45 -0.11 0.00 0.00 0.00 0.00 51.96 52.33 3is2 s ALA 88 Cb -0.05 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.76 3is2 s ALA 88 CO -0.07 -0.14 1.07 -1.54 0.00 0.00 0.00 175.76 175.09 3is2 s SER 89 N 1.14 5.08 0.39 0.00 1.04 -0.71 -4.91 113.70 115.72 3is2 s SER 89 Ca -0.09 1.61 0.06 0.00 0.48 0.00 0.00 55.95 58.02 3is2 s SER 89 Cb -0.12 -2.44 0.78 0.00 0.10 0.00 0.00 66.02 64.34 3is2 s SER 89 CO -0.04 -1.64 2.00 -0.33 0.98 0.00 0.00 173.24 174.21 3is2 h GLU 90 N -0.85 0.53 -0.20 4.02 5.08 -1.91 -2.05 114.58 119.20 3is2 h GLU 90 Ca -0.44 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 57.81 3is2 h GLU 90 Cb 1.22 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3is2 h GLU 90 CO 0.56 0.42 -0.09 0.00 -1.00 0.00 0.00 179.01 178.90 3is2 h ALA 91 N 1.67 1.49 -0.34 3.43 0.00 -1.87 -0.53 119.26 123.11 3is2 h ALA 91 Ca 0.13 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3is2 h ALA 91 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3is2 h ALA 91 CO -0.02 0.36 -0.04 0.35 0.00 0.00 0.00 179.25 179.90 3is2 h PHE 92 N 0.29 0.70 -0.46 0.00 3.57 -1.66 -0.25 116.94 119.14 3is2 h PHE 92 Ca 0.06 -0.14 -0.07 0.00 3.53 0.00 0.00 57.97 61.35 3is2 h PHE 92 Cb 0.34 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3is2 h PHE 92 CO 0.01 0.77 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.78 3is2 h LEU 93 N 0.43 0.74 -0.49 0.59 3.38 -1.25 -1.55 115.31 117.15 3is2 h LEU 93 Ca 0.09 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 3is2 h LEU 93 Cb 0.52 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3is2 h LEU 93 CO 0.03 0.81 -0.22 0.22 0.09 0.00 0.00 178.44 179.37 3is2 h TYR 94 N 0.72 1.15 -0.28 1.13 -0.00 -0.90 -0.85 116.97 117.94 3is2 h TYR 94 Ca 0.14 -0.28 -0.15 0.00 -0.00 0.00 0.00 58.73 58.44 3is2 h TYR 94 Cb 0.46 -0.27 -0.01 0.00 -0.00 0.00 0.00 36.73 36.91 3is2 h TYR 94 CO 0.02 1.11 -0.42 1.98 -0.00 0.00 0.00 178.16 180.85 3is2 h MET 95 N 0.86 0.69 0.00 1.82 4.05 -0.71 -3.29 114.93 118.36 3is2 h MET 95 Ca 0.11 -0.37 -0.03 0.00 -0.28 0.00 0.00 59.70 59.13 3is2 h MET 95 Cb 0.81 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.62 3is2 h MET 95 CO 0.07 0.98 -1.15 0.25 0.23 0.00 0.00 176.91 177.29 3is2 n THR 96 N -4.03 0.70 -0.05 -0.77 -2.24 -0.61 -4.89 114.28 102.39 3is2 n THR 96 Ca -0.02 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3is2 n THR 96 Cb 0.54 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3is2 n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3is2 n GLY 97 N 1.23 1.73 3.91 3.38 0.00 -0.33 0.14 105.19 115.25 3is2 n GLY 97 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 3is2 n GLY 97 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3is2 s TYR 98 N -2.66 3.56 0.68 1.61 1.51 -1.22 -4.72 117.35 116.10 3is2 s TYR 98 Ca 0.00 0.76 0.01 0.00 -1.01 0.00 0.00 57.07 56.83 3is2 s TYR 98 Cb 0.00 -2.25 0.13 0.00 -0.11 0.00 0.00 41.96 39.73 3is2 s TYR 98 CO 0.00 -0.23 0.93 -1.13 -1.11 0.00 0.00 175.55 174.01 3is2 n SER 99 N -2.19 1.40 -0.16 2.29 3.41 -1.26 -4.61 113.62 112.49 3is2 n SER 99 Ca -0.00 -2.14 -0.09 0.00 -0.26 0.00 0.00 58.87 56.37 3is2 n SER 99 Cb 0.55 -0.59 0.04 0.00 -0.26 0.00 0.00 64.21 63.95 3is2 n SER 99 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3is2 h ASN 100 N -0.48 0.97 0.15 4.04 -0.73 -1.97 -2.84 115.58 114.72 3is2 h ASN 100 Ca -0.31 -0.32 -0.09 0.00 1.87 0.00 0.00 56.30 57.45 3is2 h ASN 100 Cb 1.17 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 39.49 3is2 h ASN 100 CO 0.34 1.09 -0.31 0.00 -0.37 0.00 0.00 177.43 178.19 3is2 h ALA 101 N 0.99 1.24 0.00 1.57 0.00 -1.95 -2.49 119.26 118.63 3is2 h ALA 101 Ca 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3is2 h ALA 101 Cb 0.67 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3is2 h ALA 101 CO 0.05 0.51 0.00 0.93 0.00 0.00 0.00 179.25 180.74 3is2 h GLU 102 N 0.22 0.00 0.00 0.00 5.08 -1.91 -3.38 114.58 114.60 3is2 h GLU 102 Ca 0.03 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.03 3is2 h GLU 102 Cb 0.66 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 3is2 h GLU 102 CO 0.05 0.00 -2.34 1.33 -1.00 0.00 0.00 179.01 177.05 3is2 n VAL 103 N -3.06 1.34 -1.66 3.13 0.24 -1.09 -4.90 118.33 112.32 3is2 n VAL 103 Ca 0.04 -0.48 -0.43 0.00 -2.04 0.00 0.00 64.34 61.43 3is2 n VAL 103 Cb 0.51 -1.43 -0.01 0.00 -1.47 0.00 0.00 33.84 31.44 3is2 n VAL 103 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3is2 n LEU 104 N -3.37 2.92 0.00 1.34 4.32 -0.95 -2.24 117.00 119.01 3is2 n LEU 104 Ca -0.43 1.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.76 3is2 n LEU 104 Cb 0.92 -1.41 0.00 0.00 -1.62 0.00 0.00 43.42 41.31 3is2 n LEU 104 CO 0.19 -0.79 0.00 0.61 -1.22 0.00 0.00 177.39 176.18 3is2 n GLY 105 N 1.05 0.86 3.51 -0.72 0.00 -0.19 -4.94 105.19 104.75 3is2 n GLY 105 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 3is2 n GLY 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3is2 s ARG 106 N -0.04 1.84 0.25 1.61 0.52 -0.95 -4.68 118.95 117.49 3is2 s ARG 106 Ca 0.00 -1.25 -0.30 0.00 -0.52 0.00 0.00 55.73 53.66 3is2 s ARG 106 Cb 0.00 -2.09 -0.09 0.00 0.52 0.00 0.00 34.95 33.28 3is2 s ARG 106 CO 0.00 0.46 1.11 1.21 0.02 0.00 0.00 175.30 178.10 3is2 s ASN 107 N -2.42 7.25 0.28 0.23 3.84 -1.26 -2.12 114.94 120.73 3is2 s ASN 107 Ca 0.20 2.24 0.16 0.00 0.21 0.00 0.00 52.86 55.67 3is2 s ASN 107 Cb -0.10 -2.62 0.85 0.00 -0.55 0.00 0.00 41.25 38.83 3is2 s ASN 107 CO 0.12 -0.18 1.43 0.00 -2.79 0.00 0.00 177.10 175.67 3is2 n ARG 109 N -2.07 0.11 0.32 0.00 1.85 -1.26 -2.54 116.66 113.07 3is2 n ARG 109 Ca -0.01 0.60 0.20 0.00 -1.00 0.00 0.00 57.85 57.64 3is2 n ARG 109 Cb 0.15 -1.91 1.08 0.00 -1.05 0.00 0.00 32.46 30.72 3is2 n ARG 109 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3is2 h PHE 110 N 0.00 0.00 0.00 2.89 -5.15 -1.86 -1.29 116.94 111.53 3is2 h PHE 110 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3is2 h PHE 110 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.27 3is2 h PHE 110 CO 0.00 0.01 0.00 -0.07 -2.00 0.00 0.00 178.31 176.25 3is2 h LEU 111 N 0.00 0.00 0.00 2.10 3.38 -1.81 -3.05 115.31 115.94 3is2 h LEU 111 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3is2 h LEU 111 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3is2 h LEU 111 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3is2 n GLN 112 N -3.04 0.08 -4.66 1.13 6.02 -0.49 -0.29 117.38 116.14 3is2 n GLN 112 Ca 0.01 0.24 -0.23 0.00 -0.01 0.00 0.00 57.00 57.01 3is2 n GLN 112 Cb 0.30 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 29.91 3is2 n GLN 112 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3is2 s SER 113 N -2.79 1.69 0.33 1.08 0.15 -1.15 -4.77 113.70 108.24 3is2 s SER 113 Ca 0.08 -0.26 0.23 0.00 0.70 0.00 0.00 55.95 56.70 3is2 s SER 113 Cb 0.08 -0.22 1.22 0.00 -1.71 0.00 0.00 66.02 65.38 3is2 s SER 113 CO 0.20 0.17 1.70 1.55 1.20 0.00 0.00 173.24 178.06 3is2 h PRO 114 N 5.85 0.00 -0.37 5.44 0.13 -1.87 0.30 132.00 141.47 3is2 h PRO 114 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3is2 h PRO 114 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3is2 h PRO 114 CO 0.49 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.86 3is2 n ASP 115 N -2.30 3.16 -2.20 1.44 3.85 -1.26 -4.35 116.55 114.89 3is2 n ASP 115 Ca -0.01 -2.12 -0.17 0.00 -0.71 0.00 0.00 54.79 51.78 3is2 n ASP 115 Cb 0.06 -0.29 -0.02 0.00 -1.35 0.00 0.00 41.12 39.51 3is2 n ASP 115 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3is2 n GLY 116 N 0.50 -0.01 3.01 6.12 0.00 0.09 -4.95 105.19 109.95 3is2 n GLY 116 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3is2 n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3is2 s MET 117 N -4.66 1.60 -0.21 1.61 -1.94 -1.26 -4.82 119.30 109.62 3is2 s MET 117 Ca 0.00 -2.05 -0.02 0.00 -1.71 0.00 0.00 55.69 51.91 3is2 s MET 117 Cb 0.00 -3.24 0.06 0.00 2.01 0.00 0.00 34.83 33.66 3is2 s MET 117 CO 0.00 -0.98 0.04 0.08 -0.01 0.00 0.00 175.02 174.15 3is2 s VAL 118 N 0.64 0.60 0.22 -6.03 1.01 -1.26 -4.86 120.40 110.72 3is2 s VAL 118 Ca 0.12 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 3is2 s VAL 118 Cb -0.21 -1.13 -0.09 0.00 0.00 0.00 0.00 36.38 34.96 3is2 s VAL 118 CO -0.06 -0.25 0.95 -0.54 0.00 0.00 0.00 175.10 175.20 3is2 s LYS 119 N 1.82 4.83 0.62 2.72 -0.14 -1.26 -4.81 119.74 123.51 3is2 s LYS 119 Ca -0.00 1.49 -0.18 0.00 -1.36 0.00 0.00 55.97 55.93 3is2 s LYS 119 Cb -0.17 -3.29 -0.06 0.00 -1.68 0.00 0.00 37.83 32.62 3is2 s LYS 119 CO -0.10 0.46 0.66 -2.30 -0.76 0.00 0.00 175.35 173.31 3is2 n PRO 120 N 1.69 0.55 -0.21 -1.68 -0.02 -1.26 -1.74 135.00 132.33 3is2 n PRO 120 Ca -0.01 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3is2 n PRO 120 Cb 0.47 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 3is2 n PRO 120 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3is2 n LYS 121 N -0.54 0.00 -1.59 -0.52 4.76 -1.26 -4.95 118.16 114.06 3is2 n LYS 121 Ca 0.12 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.22 3is2 n LYS 121 Cb 0.48 -3.47 0.07 0.00 -1.84 0.00 0.00 35.03 30.27 3is2 n LYS 121 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3is2 s SER 122 N -2.49 4.65 -0.50 4.39 1.04 -0.71 -4.96 113.70 115.11 3is2 s SER 122 Ca 0.00 2.16 -0.20 0.00 0.48 0.00 0.00 55.95 58.39 3is2 s SER 122 Cb 0.00 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.60 3is2 s SER 122 CO 0.00 -1.95 0.70 -0.89 0.98 0.00 0.00 173.24 172.08 3is2 s THR 123 N -2.19 4.76 0.48 2.02 2.01 -1.26 -5.02 115.64 116.44 3is2 s THR 123 Ca 0.70 -0.21 -0.24 0.00 0.31 0.00 0.00 61.69 62.25 3is2 s THR 123 Cb -0.24 -4.33 -0.07 0.00 0.01 0.00 0.00 72.50 67.86 3is2 s THR 123 CO 0.43 -0.83 1.36 -0.13 -0.69 0.00 0.00 174.62 174.76 3is2 s ARG 124 N 2.95 3.55 0.00 4.92 3.00 -1.26 -4.93 118.95 127.18 3is2 s ARG 124 Ca 0.20 2.25 0.22 0.00 0.00 0.00 0.00 55.73 58.40 3is2 s ARG 124 Cb -0.17 -2.51 -0.13 0.00 0.00 0.00 0.00 34.95 32.14 3is2 s ARG 124 CO 0.15 -0.87 0.97 0.36 0.00 0.00 0.00 175.30 175.91 3is2 n LYS 125 N -0.46 0.05 0.00 3.54 0.00 -1.26 -4.39 118.16 115.64 3is2 n LYS 125 Ca 0.07 -0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 3is2 n LYS 125 Cb 0.44 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.97 3is2 n LYS 125 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3is2 n TYR 126 N -1.44 0.00 -4.52 5.58 4.01 -1.26 -5.03 117.16 114.49 3is2 n TYR 126 Ca 0.04 -0.22 -0.21 0.00 -0.16 0.00 0.00 57.90 57.35 3is2 n TYR 126 Cb 0.34 -0.02 -0.15 0.00 -0.31 0.00 0.00 39.34 39.19 3is2 n TYR 126 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3is2 s VAL 127 N -0.44 0.95 -0.04 -0.72 1.01 -1.26 -4.79 120.40 115.11 3is2 s VAL 127 Ca 0.00 -0.49 -0.31 0.00 0.00 0.00 0.00 61.98 61.18 3is2 s VAL 127 Cb 0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 36.38 35.47 3is2 s VAL 127 CO 0.00 0.28 1.98 -0.67 0.00 0.00 0.00 175.10 176.69 3is2 n ASP 128 N 2.99 3.79 -0.29 3.32 -0.08 -1.26 -4.72 116.55 120.29 3is2 n ASP 128 Ca -0.16 0.84 -0.00 0.00 -1.51 0.00 0.00 54.79 53.96 3is2 n ASP 128 Cb 0.55 -1.47 0.12 0.00 2.34 0.00 0.00 41.12 42.66 3is2 n ASP 128 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3is2 h SER 129 N 10.66 0.80 -0.34 1.67 0.02 -1.99 -1.64 113.55 122.72 3is2 h SER 129 Ca -0.48 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.44 3is2 h SER 129 Cb 1.25 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 3is2 h SER 129 CO 0.95 0.52 0.07 -1.13 -1.14 0.00 0.00 176.83 176.10 3is2 h ASN 130 N 0.94 0.60 0.19 3.07 -1.24 -1.99 -0.73 115.58 116.42 3is2 h ASN 130 Ca 0.35 -0.10 -0.01 0.00 0.71 0.00 0.00 56.30 57.25 3is2 h ASN 130 Cb 0.13 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.03 3is2 h ASN 130 CO -0.16 0.63 -0.09 0.74 -1.29 0.00 0.00 177.43 177.26 3is2 h THR 131 N 0.62 0.85 -0.61 -3.57 2.02 -1.71 -0.60 112.91 109.91 3is2 h THR 131 Ca 0.14 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 3is2 h THR 131 Cb 0.29 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 3is2 h THR 131 CO 0.00 0.03 0.29 0.40 0.37 0.00 0.00 175.52 176.61 3is2 h ILE 132 N -0.32 1.20 -0.06 3.11 2.04 -1.08 -2.05 117.51 120.34 3is2 h ILE 132 Ca -0.03 -0.57 -0.12 0.00 1.00 0.00 0.00 64.86 65.15 3is2 h ILE 132 Cb 0.25 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3is2 h ILE 132 CO 0.04 0.24 -0.48 -1.13 0.00 0.00 0.00 178.15 176.82 3is2 h ASN 133 N 0.86 0.17 -0.22 1.72 -1.24 -0.90 -2.05 115.58 113.92 3is2 h ASN 133 Ca 0.21 -0.08 -0.03 0.00 0.71 0.00 0.00 56.30 57.11 3is2 h ASN 133 Cb 0.10 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 3is2 h ASN 133 CO -0.03 0.63 0.03 0.74 -1.29 0.00 0.00 177.43 177.52 3is2 h THR 134 N 0.13 1.23 -0.19 -3.57 2.02 -0.44 -1.17 112.91 110.92 3is2 h THR 134 Ca 0.01 -0.76 0.01 0.00 0.77 0.00 0.00 66.41 66.44 3is2 h THR 134 Cb 0.90 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 3is2 h THR 134 CO 0.07 0.24 0.11 0.24 0.37 0.00 0.00 175.52 176.55 3is2 h MET 135 N 0.17 0.22 -0.53 6.66 2.86 -1.31 -1.27 114.93 121.73 3is2 h MET 135 Ca 0.07 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 3is2 h MET 135 Cb 0.32 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.89 3is2 h MET 135 CO 0.00 0.15 0.28 -0.09 1.06 0.00 0.00 176.91 178.31 3is2 h ARG 136 N 0.23 0.52 -0.13 1.72 2.43 -1.25 -0.75 114.38 117.14 3is2 h ARG 136 Ca 0.07 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.05 3is2 h ARG 136 Cb -0.00 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3is2 h ARG 136 CO -0.04 0.34 -0.61 0.87 -1.51 0.00 0.00 179.97 179.03 3is2 h LYS 137 N 0.53 0.47 -0.18 0.20 1.57 -1.05 -1.91 116.57 116.19 3is2 h LYS 137 Ca 0.24 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3is2 h LYS 137 Cb 0.14 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3is2 h LYS 137 CO -0.16 0.93 0.10 0.00 -0.57 0.00 0.00 179.45 179.76 3is2 h ALA 138 N 0.99 0.23 -0.27 3.86 0.00 -0.87 -2.07 119.26 121.13 3is2 h ALA 138 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3is2 h ALA 138 Cb 1.16 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3is2 h ALA 138 CO 0.11 -0.24 0.17 0.82 0.00 0.00 0.00 179.25 180.11 3is2 h ILE 139 N 0.20 1.09 -0.22 0.00 2.04 -1.08 0.02 117.51 119.55 3is2 h ILE 139 Ca 0.06 -0.18 0.05 0.00 1.00 0.00 0.00 64.86 65.79 3is2 h ILE 139 Cb 0.06 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3is2 h ILE 139 CO -0.01 0.08 0.15 0.44 0.00 0.00 0.00 178.15 178.81 3is2 h ASP 140 N 0.36 0.07 -0.25 1.72 3.45 -1.18 -1.89 116.42 118.71 3is2 h ASP 140 Ca 0.10 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.56 3is2 h ASP 140 Cb -0.01 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 38.74 3is2 h ASP 140 CO -0.02 0.05 0.00 0.54 -1.57 0.00 0.00 179.24 178.24 3is2 n ARG 141 N -4.49 2.23 -3.18 3.56 1.74 -0.79 -4.94 116.66 110.79 3is2 n ARG 141 Ca 0.02 -1.85 -0.23 0.00 -0.77 0.00 0.00 57.85 55.02 3is2 n ARG 141 Cb 0.23 -1.47 0.02 0.00 -1.02 0.00 0.00 32.46 30.22 3is2 n ARG 141 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3is2 n ASN 142 N 1.10 -5.14 -4.71 0.55 3.02 -0.64 -4.96 115.26 104.48 3is2 n ASN 142 Ca 0.18 -0.34 -0.35 0.00 -0.03 0.00 0.00 54.58 54.04 3is2 n ASN 142 Cb 0.52 -4.18 -0.09 0.00 -0.61 0.00 0.00 39.78 35.43 3is2 n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3is2 s ALA 143 N -3.08 3.45 0.31 5.41 0.00 -0.10 -4.77 121.76 122.98 3is2 s ALA 143 Ca 0.35 -0.75 -0.29 0.00 0.00 0.00 0.00 51.96 51.27 3is2 s ALA 143 Cb -0.17 -1.72 -0.11 0.00 0.00 0.00 0.00 23.12 21.12 3is2 s ALA 143 CO 0.43 0.46 1.48 -1.21 0.00 0.00 0.00 175.76 176.92 3is2 s GLU 144 N -0.50 4.19 0.07 0.00 2.02 -1.26 -4.41 118.70 118.81 3is2 s GLU 144 Ca 0.10 2.45 -0.03 0.00 0.02 0.00 0.00 54.97 57.51 3is2 s GLU 144 Cb -0.12 -3.03 -0.03 0.00 0.10 0.00 0.00 34.13 31.05 3is2 s GLU 144 CO 0.02 -0.48 0.04 0.54 0.02 0.00 0.00 175.26 175.40 3is2 s VAL 145 N -0.54 0.19 -0.18 2.63 0.11 -1.09 -4.96 120.40 116.56 3is2 s VAL 145 Ca 0.57 -1.66 -0.08 0.00 -2.93 0.00 0.00 61.98 57.88 3is2 s VAL 145 Cb -0.45 -1.53 0.07 0.00 -1.53 0.00 0.00 36.38 32.95 3is2 s VAL 145 CO 0.52 -0.86 0.39 -1.58 -3.33 0.00 0.00 175.10 170.25 3is2 s GLN 146 N -3.92 0.34 0.33 1.54 0.74 -1.26 -2.03 119.66 115.39 3is2 s GLN 146 Ca 0.08 0.87 0.00 0.00 0.05 0.00 0.00 55.36 56.37 3is2 s GLN 146 Cb 0.07 0.11 -0.01 0.00 1.10 0.00 0.00 33.01 34.28 3is2 s GLN 146 CO -0.09 -0.21 0.39 0.14 -0.55 0.00 0.00 175.29 174.97 3is2 s VAL 147 N 1.97 0.00 -0.16 1.34 -7.23 -0.40 -5.02 120.40 110.90 3is2 s VAL 147 Ca -0.05 -1.75 0.01 0.00 -1.81 0.00 0.00 61.98 58.38 3is2 s VAL 147 Cb -0.10 -2.57 0.02 0.00 0.56 0.00 0.00 36.38 34.28 3is2 s VAL 147 CO -0.12 0.00 -0.20 -1.61 -0.31 0.00 0.00 175.10 172.86 3is2 s GLU 148 N -3.28 2.92 -0.01 4.82 2.02 -1.26 -0.83 118.70 123.08 3is2 s GLU 148 Ca 0.34 -0.81 0.04 0.00 0.02 0.00 0.00 54.97 54.56 3is2 s GLU 148 Cb 0.01 -2.47 -0.01 0.00 0.10 0.00 0.00 34.13 31.76 3is2 s GLU 148 CO 0.22 -0.14 -0.12 0.54 0.02 0.00 0.00 175.26 175.78 3is2 s VAL 149 N 1.14 0.95 -0.01 2.63 0.11 -0.44 -4.94 120.40 119.85 3is2 s VAL 149 Ca 0.01 -0.51 -0.30 0.00 -2.93 0.00 0.00 61.98 58.25 3is2 s VAL 149 Cb -0.14 -0.80 -0.05 0.00 -1.53 0.00 0.00 36.38 33.87 3is2 s VAL 149 CO -0.09 0.27 1.27 -0.69 -3.33 0.00 0.00 175.10 172.53 3is2 s VAL 150 N -0.22 4.00 0.33 2.04 1.01 -1.26 -0.84 120.40 125.45 3is2 s VAL 150 Ca 0.04 1.38 0.03 0.00 0.00 0.00 0.00 61.98 63.43 3is2 s VAL 150 Cb -0.05 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 3is2 s VAL 150 CO -0.00 0.03 0.07 0.20 0.00 0.00 0.00 175.10 175.39 3is2 s ASN 151 N 1.49 2.30 -0.02 3.32 0.02 -0.60 -4.61 114.94 116.84 3is2 s ASN 151 Ca 0.59 -1.41 0.01 0.00 -1.02 0.00 0.00 52.86 51.04 3is2 s ASN 151 Cb -0.28 0.00 0.01 0.00 0.02 0.00 0.00 41.25 40.99 3is2 s ASN 151 CO 0.25 -0.65 -0.04 -0.36 0.02 0.00 0.00 177.10 176.32 3is2 s PHE 152 N -3.34 0.50 0.67 2.20 0.08 0.61 -1.98 117.98 116.72 3is2 s PHE 152 Ca 0.35 -0.10 -0.11 0.00 0.12 0.00 0.00 56.93 57.19 3is2 s PHE 152 Cb 0.08 -0.39 -0.01 0.00 -0.57 0.00 0.00 43.02 42.13 3is2 s PHE 152 CO 0.15 -0.06 1.07 0.15 -0.10 0.00 0.00 175.22 176.42 3is2 s LYS 153 N 0.28 3.13 0.39 0.44 1.02 0.05 -4.81 119.74 120.24 3is2 s LYS 153 Ca -0.03 0.63 0.18 0.00 0.02 0.00 0.00 55.97 56.77 3is2 s LYS 153 Cb -0.07 -2.04 1.08 0.00 -0.52 0.00 0.00 37.83 36.29 3is2 s LYS 153 CO -0.00 -0.88 1.77 -0.22 -0.92 0.00 0.00 175.35 175.10 3is2 h LYS 154 N -0.55 0.40 -0.02 1.68 3.64 -0.59 0.81 116.57 121.94 3is2 h LYS 154 Ca -0.45 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3is2 h LYS 154 Cb 1.22 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3is2 h LYS 154 CO 0.62 0.27 0.00 0.27 -2.27 0.00 0.00 179.45 178.34 3is2 n ASN 155 N -4.64 0.13 0.00 4.20 2.04 -1.26 -4.87 115.26 110.87 3is2 n ASN 155 Ca 0.25 -1.78 0.00 0.00 -0.44 0.00 0.00 54.58 52.61 3is2 n ASN 155 Cb 0.85 -0.01 0.00 0.00 -2.53 0.00 0.00 39.78 38.09 3is2 n ASN 155 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3is2 n GLY 156 N 0.65 1.27 3.69 4.83 0.00 0.28 -5.03 105.19 110.89 3is2 n GLY 156 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3is2 n GLY 156 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3is2 s GLN 157 N -0.50 4.20 0.17 1.61 0.74 -1.25 -4.61 119.66 120.03 3is2 s GLN 157 Ca 0.00 2.34 -0.26 0.00 0.05 0.00 0.00 55.36 57.49 3is2 s GLN 157 Cb 0.00 -3.59 -0.08 0.00 1.10 0.00 0.00 33.01 30.44 3is2 s GLN 157 CO 0.00 -0.73 0.81 0.50 -0.55 0.00 0.00 175.29 175.32 3is2 s ARG 158 N 2.60 4.62 0.23 1.67 3.52 -1.26 -0.77 118.95 129.57 3is2 s ARG 158 Ca 0.74 1.22 -0.15 0.00 -0.13 0.00 0.00 55.73 57.41 3is2 s ARG 158 Cb -0.40 -3.27 0.01 0.00 -1.56 0.00 0.00 34.95 29.72 3is2 s ARG 158 CO 0.32 0.54 0.51 -0.59 -0.81 0.00 0.00 175.30 175.27 3is2 s PHE 159 N -1.08 0.15 -0.26 5.12 -0.71 -0.84 -4.99 117.98 115.38 3is2 s PHE 159 Ca 0.37 -0.52 -0.09 0.00 -1.04 0.00 0.00 56.93 55.65 3is2 s PHE 159 Cb -0.24 0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 3is2 s PHE 159 CO 0.27 -0.98 0.14 0.08 -1.34 0.00 0.00 175.22 173.39 3is2 s VAL 160 N -3.96 4.97 -0.29 -2.49 1.01 -1.26 -1.55 120.40 116.82 3is2 s VAL 160 Ca 0.17 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 3is2 s VAL 160 Cb -0.01 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 3is2 s VAL 160 CO 0.05 0.31 0.33 0.21 0.00 0.00 0.00 175.10 175.99 3is2 s ASN 161 N 1.49 6.18 -0.64 3.32 3.84 -0.02 0.20 114.94 129.32 3is2 s ASN 161 Ca 0.06 0.09 -0.22 0.00 0.21 0.00 0.00 52.86 53.00 3is2 s ASN 161 Cb -0.15 -2.19 0.07 0.00 -0.55 0.00 0.00 41.25 38.43 3is2 s ASN 161 CO 0.07 -0.19 0.93 0.12 -2.79 0.00 0.00 177.10 175.23 3is2 s PHE 162 N 1.99 2.73 -0.14 0.43 5.99 0.17 -1.32 117.98 127.82 3is2 s PHE 162 Ca 0.12 -0.53 -0.04 0.00 0.00 0.00 0.00 56.93 56.48 3is2 s PHE 162 Cb -0.16 -4.21 -0.03 0.00 0.00 0.00 0.00 43.02 38.61 3is2 s PHE 162 CO 0.11 -1.56 0.01 -1.17 -0.00 0.00 0.00 175.22 172.60 3is2 s LEU 163 N 3.88 3.55 -0.07 6.12 2.96 -0.01 -1.90 118.68 133.20 3is2 s LEU 163 Ca 0.22 0.03 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 3is2 s LEU 163 Cb -0.17 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.67 3is2 s LEU 163 CO 0.11 0.24 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.30 3is2 s THR 164 N -0.07 1.64 -0.08 3.68 2.01 -0.35 -1.28 115.64 121.19 3is2 s THR 164 Ca 0.04 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.28 3is2 s THR 164 Cb -0.13 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 70.96 3is2 s THR 164 CO 0.02 0.47 -0.20 -0.04 -0.69 0.00 0.00 174.62 174.18 3is2 s MET 165 N 0.26 2.45 -0.08 4.92 -1.94 -0.86 0.38 119.30 124.43 3is2 s MET 165 Ca -0.11 -0.70 0.00 0.00 -1.71 0.00 0.00 55.69 53.17 3is2 s MET 165 Cb -0.15 -1.93 0.02 0.00 2.01 0.00 0.00 34.83 34.79 3is2 s MET 165 CO 0.05 0.15 -0.07 0.42 -0.01 0.00 0.00 175.02 175.56 3is2 s ILE 166 N 0.38 0.84 0.57 2.53 -1.09 0.15 -2.66 121.20 121.92 3is2 s ILE 166 Ca -0.15 -0.23 -0.20 0.00 -2.23 0.00 0.00 60.65 57.85 3is2 s ILE 166 Cb -0.16 -0.86 -0.04 0.00 -1.58 0.00 0.00 42.46 39.81 3is2 s ILE 166 CO 0.06 0.32 1.21 -2.16 -1.23 0.00 0.00 174.94 173.14 3is2 s PRO 167 N 1.38 3.11 -0.04 2.79 0.04 -1.26 -0.56 135.00 140.47 3is2 s PRO 167 Ca -0.02 1.83 0.02 0.00 0.04 0.00 0.00 61.00 62.87 3is2 s PRO 167 Cb -0.14 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.40 3is2 s PRO 167 CO -0.04 -1.09 -0.10 0.08 0.04 0.00 0.00 177.00 175.89 3is2 s VAL 168 N -1.58 0.87 0.04 -0.36 1.01 0.59 -4.84 120.40 116.14 3is2 s VAL 168 Ca 0.75 -0.38 -0.22 0.00 0.00 0.00 0.00 61.98 62.13 3is2 s VAL 168 Cb -0.30 -0.79 -0.06 0.00 0.00 0.00 0.00 36.38 35.22 3is2 s VAL 168 CO 0.34 0.28 0.65 -0.13 0.00 0.00 0.00 175.10 176.23 3is2 s ARG 169 N 0.39 4.36 0.00 2.72 0.52 -1.26 -1.88 118.95 123.79 3is2 s ARG 169 Ca -0.07 0.86 0.00 0.00 -0.52 0.00 0.00 55.73 56.00 3is2 s ARG 169 Cb -0.11 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 32.04 3is2 s ARG 169 CO 0.01 0.43 0.00 -0.40 0.02 0.00 0.00 175.30 175.36 3is2 n ASP 170 N 2.40 0.00 0.27 0.23 5.68 -1.04 -4.89 116.55 119.20 3is2 n ASP 170 Ca -0.06 -0.32 0.16 0.00 -0.50 0.00 0.00 54.79 54.07 3is2 n ASP 170 Cb 0.50 0.00 0.90 0.00 -1.14 0.00 0.00 41.12 41.38 3is2 n ASP 170 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3is2 h GLU 171 N 0.00 0.00 0.00 0.11 4.39 -1.98 -1.82 114.58 115.28 3is2 h GLU 171 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3is2 h GLU 171 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3is2 h GLU 171 CO 0.00 0.00 0.00 0.25 -1.16 0.00 0.00 179.01 178.10 3is2 n THR 172 N -3.81 0.60 -0.13 1.13 -2.24 -1.26 -4.91 114.28 103.66 3is2 n THR 172 Ca -0.02 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3is2 n THR 172 Cb 0.15 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 3is2 n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3is2 n GLY 173 N 1.02 0.66 3.72 3.38 0.00 -0.68 -5.07 105.19 108.22 3is2 n GLY 173 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 3is2 n GLY 173 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3is2 s GLU 174 N -0.76 2.59 0.13 1.61 2.02 -1.26 -4.85 118.70 118.18 3is2 s GLU 174 Ca 0.00 -1.16 -0.31 0.00 0.02 0.00 0.00 54.97 53.52 3is2 s GLU 174 Cb 0.00 -2.39 -0.10 0.00 0.10 0.00 0.00 34.13 31.74 3is2 s GLU 174 CO 0.00 0.41 1.65 0.71 0.02 0.00 0.00 175.26 178.06 3is2 s TYR 175 N -2.05 2.69 0.00 1.61 2.02 -1.26 -2.50 117.35 117.86 3is2 s TYR 175 Ca 0.31 0.39 0.00 0.00 -0.37 0.00 0.00 57.07 57.40 3is2 s TYR 175 Cb -0.08 -4.00 0.00 0.00 -0.40 0.00 0.00 41.96 37.48 3is2 s TYR 175 CO 0.22 -3.89 0.00 -2.13 -1.57 0.00 0.00 175.55 168.18 3is2 n ARG 176 N 4.79 0.57 -4.63 -0.62 3.00 -0.79 -4.93 116.66 114.05 3is2 n ARG 176 Ca 0.15 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.72 3is2 n ARG 176 Cb 0.39 -0.68 -0.09 0.00 0.00 0.00 0.00 32.46 32.08 3is2 n ARG 176 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 3is2 s TYR 177 N -1.35 2.00 -0.01 -0.14 1.51 -1.04 -0.48 117.35 117.84 3is2 s TYR 177 Ca 0.00 -0.97 0.00 0.00 -1.01 0.00 0.00 57.07 55.09 3is2 s TYR 177 Cb 0.00 -1.50 0.01 0.00 -0.11 0.00 0.00 41.96 40.36 3is2 s TYR 177 CO 0.00 0.12 0.01 0.45 -1.11 0.00 0.00 175.55 175.02 3is2 s SER 178 N -3.72 0.07 -0.16 2.29 0.15 -0.79 -0.30 113.70 111.24 3is2 s SER 178 Ca 0.21 0.01 -0.03 0.00 0.70 0.00 0.00 55.95 56.83 3is2 s SER 178 Cb 0.05 -0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.30 3is2 s SER 178 CO 0.11 -0.04 -0.05 -0.32 1.20 0.00 0.00 173.24 174.13 3is2 s MET 179 N 0.38 3.61 -0.08 5.44 1.75 0.28 -1.50 119.30 129.19 3is2 s MET 179 Ca -0.03 -0.55 0.00 0.00 -1.25 0.00 0.00 55.69 53.86 3is2 s MET 179 Cb -0.05 -2.88 -0.03 0.00 2.84 0.00 0.00 34.83 34.71 3is2 s MET 179 CO -0.01 0.20 -0.06 0.20 -0.65 0.00 0.00 175.02 174.70 3is2 s GLY 180 N 0.45 1.71 -0.21 2.11 0.00 0.03 -0.68 107.32 110.74 3is2 s GLY 180 Ca -0.05 -0.88 -0.01 0.00 0.00 0.00 0.00 44.72 43.78 3is2 s GLY 180 CO 0.03 -0.62 -0.11 -1.36 0.00 0.00 0.00 173.10 171.05 3is2 s PHE 181 N -0.74 2.93 -0.12 1.90 0.08 0.16 -1.73 117.98 120.47 3is2 s PHE 181 Ca 0.11 -1.40 -0.02 0.00 0.12 0.00 0.00 56.93 55.74 3is2 s PHE 181 Cb -0.11 -2.02 -0.03 0.00 -0.57 0.00 0.00 43.02 40.29 3is2 s PHE 181 CO 0.02 -0.70 -0.03 -0.65 -0.10 0.00 0.00 175.22 173.75 3is2 s GLN 182 N 1.36 3.27 -0.04 0.44 1.11 -0.04 -1.21 119.66 124.55 3is2 s GLN 182 Ca 0.04 -0.50 -0.01 0.00 0.01 0.00 0.00 55.36 54.90 3is2 s GLN 182 Cb -0.15 -2.80 0.03 0.00 -1.01 0.00 0.00 33.01 29.08 3is2 s GLN 182 CO -0.07 0.46 0.04 0.00 0.01 0.00 0.00 175.29 175.73 3is2 s GLU 184 N 1.70 4.29 0.00 0.00 2.12 -1.26 0.41 118.70 125.96 3is2 s GLU 184 Ca -0.01 1.77 0.00 0.00 0.36 0.00 0.00 54.97 57.09 3is2 s GLU 184 Cb -0.13 -3.65 0.00 0.00 0.26 0.00 0.00 34.13 30.62 3is2 s GLU 184 CO -0.03 -0.57 0.00 2.41 -0.54 0.00 0.00 175.26 176.52