#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3is2 s HIS 37 N 0.00 3.05 -0.45 1.12 5.04 -1.26 -5.01 115.29 117.79 3is2 s HIS 37 Ca 0.00 -0.96 -0.20 0.00 -1.54 0.00 0.00 55.06 52.36 3is2 s HIS 37 Cb 0.00 -3.89 0.03 0.00 0.04 0.00 0.00 32.58 28.76 3is2 s HIS 37 CO 0.00 -1.20 0.61 0.99 -2.34 0.00 0.00 174.74 172.80 3is2 s THR 38 N 2.46 4.88 -0.24 0.89 2.01 -1.26 -5.02 115.64 119.35 3is2 s THR 38 Ca 0.10 -0.06 -0.26 0.00 0.31 0.00 0.00 61.69 61.78 3is2 s THR 38 Cb -0.25 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.07 3is2 s THR 38 CO 0.06 -0.61 0.90 -0.76 -0.69 0.00 0.00 174.62 173.53 3is2 s LEU 39 N 2.68 4.08 -0.14 4.42 1.43 -1.26 -5.01 118.68 124.88 3is2 s LEU 39 Ca 0.20 1.13 -0.10 0.00 -1.03 0.00 0.00 54.13 54.32 3is2 s LEU 39 Cb -0.15 -3.31 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 3is2 s LEU 39 CO 0.17 -0.58 0.21 -0.31 0.23 0.00 0.00 176.35 176.07 3is2 s TYR 40 N 2.98 3.53 -0.45 0.29 1.51 -1.26 -4.57 117.35 119.38 3is2 s TYR 40 Ca 0.38 0.55 -0.19 0.00 -1.01 0.00 0.00 57.07 56.80 3is2 s TYR 40 Cb -0.15 -2.14 0.04 0.00 -0.11 0.00 0.00 41.96 39.59 3is2 s TYR 40 CO 0.07 0.48 0.55 0.00 -1.11 0.00 0.00 175.55 175.55 3is2 s ALA 41 N -0.29 3.39 0.00 3.71 0.00 0.14 -4.82 121.76 123.89 3is2 s ALA 41 Ca 0.15 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.58 3is2 s ALA 41 Cb -0.13 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3is2 s ALA 41 CO 0.03 -1.78 0.00 -2.30 0.00 0.00 0.00 175.76 171.71 3is2 n PRO 42 N 5.95 -0.27 0.00 0.00 -0.02 -1.26 -3.53 135.00 135.88 3is2 n PRO 42 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 3is2 n PRO 42 Cb 0.47 -0.66 0.00 0.00 -0.02 0.00 0.00 33.50 33.29 3is2 n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3is2 n GLY 43 N 0.00 0.45 0.00 -1.23 0.00 -1.26 -4.95 105.19 98.19 3is2 n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 1.59 3.66 -0.02 0.00 -1.25 -5.10 105.19 104.07 3is2 n GLY 44 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 3.37 -1.28 1.61 1.51 -1.23 -4.87 117.35 114.46 3is2 s TYR 45 Ca 0.00 0.71 -0.11 0.00 -1.01 0.00 0.00 57.07 56.66 3is2 s TYR 45 Cb 0.00 -2.61 0.16 0.00 -0.11 0.00 0.00 41.96 39.40 3is2 s TYR 45 CO 0.00 -0.07 1.81 -3.47 -1.11 0.00 0.00 175.55 172.71 3is2 n ASP 46 N 4.67 5.05 -0.25 2.29 2.03 -1.26 0.23 116.55 129.32 3is2 n ASP 46 Ca -0.06 -3.07 -0.04 0.00 0.52 0.00 0.00 54.79 52.14 3is2 n ASP 46 Cb 0.51 -1.51 0.07 0.00 -0.72 0.00 0.00 41.12 39.47 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 3.95 1.12 -0.58 5.18 1.08 -1.94 -1.98 117.51 124.35 3is2 h ILE 47 Ca 0.39 -0.30 -0.06 0.00 -0.39 0.00 0.00 64.86 64.49 3is2 h ILE 47 Cb 0.68 0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.57 3is2 h ILE 47 CO 1.57 0.16 0.10 0.24 -0.69 0.00 0.00 178.15 179.53 3is2 h MET 48 N 0.88 0.92 -0.83 2.37 2.86 -1.88 -1.30 114.93 117.95 3is2 h MET 48 Ca 0.27 -0.22 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3is2 h MET 48 Cb -0.02 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.47 3is2 h MET 48 CO -0.09 0.84 0.54 0.78 1.06 0.00 0.00 176.91 180.04 3is2 h GLY 49 N 1.01 1.17 1.76 8.32 0.00 -1.79 -1.50 103.07 112.04 3is2 h GLY 49 Ca 0.18 -0.45 -0.15 0.00 0.00 0.00 0.00 47.33 46.91 3is2 h GLY 49 CO 0.01 0.44 -0.63 -0.97 0.00 0.00 0.00 176.54 175.38 3is2 h TYR 50 N 1.12 0.31 -0.61 5.60 0.05 -0.98 -0.39 116.97 122.08 3is2 h TYR 50 Ca 0.30 -0.13 -0.05 0.00 0.05 0.00 0.00 58.73 58.91 3is2 h TYR 50 Cb -0.11 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.55 3is2 h TYR 50 CO -0.01 0.81 0.19 -0.07 -1.05 0.00 0.00 178.16 178.02 3is2 h LEU 51 N 0.17 0.88 -0.20 3.88 3.38 -0.84 0.21 115.31 122.79 3is2 h LEU 51 Ca -0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3is2 h LEU 51 Cb 1.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3is2 h LEU 51 CO 0.10 0.86 0.01 0.40 0.09 0.00 0.00 178.44 179.90 3is2 h ILE 52 N 0.86 1.25 -0.43 1.22 2.04 -1.13 -1.38 117.51 119.93 3is2 h ILE 52 Ca 0.19 -0.83 0.07 0.00 1.00 0.00 0.00 64.86 65.30 3is2 h ILE 52 Cb 0.29 1.41 -0.06 0.00 -0.74 0.00 0.00 36.82 37.72 3is2 h ILE 52 CO -0.01 0.25 0.08 -0.61 0.00 0.00 0.00 178.15 177.86 3is2 h GLN 53 N 0.11 0.20 -0.68 2.37 4.15 -0.72 -1.60 115.11 118.94 3is2 h GLN 53 Ca 0.06 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 3is2 h GLN 53 Cb 0.37 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 3is2 h GLN 53 CO 0.01 0.13 0.29 0.82 -1.93 0.00 0.00 178.83 178.15 3is2 h ILE 54 N 0.20 1.24 0.00 2.39 2.04 -0.45 -2.29 117.51 120.64 3is2 h ILE 54 Ca 0.21 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 3is2 h ILE 54 Cb 0.27 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3is2 h ILE 54 CO -0.29 0.29 -0.08 0.24 0.00 0.00 0.00 178.15 178.31 3is2 h MET 55 N 0.95 0.00 -0.50 2.37 2.86 -0.87 -2.95 114.93 116.80 3is2 h MET 55 Ca 0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3is2 h MET 55 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3is2 h MET 55 CO -0.02 0.08 0.00 0.09 1.06 0.00 0.00 176.91 178.12 3is2 n ASN 56 N -3.21 4.55 -4.73 1.22 3.02 -0.64 -5.01 115.26 110.46 3is2 n ASN 56 Ca 0.00 -2.64 -0.42 0.00 -0.03 0.00 0.00 54.58 51.50 3is2 n ASN 56 Cb 0.35 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 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 -2.19 4.37 0.42 3.52 1.70 -0.90 -4.95 118.95 120.93 3is2 s ARG 57 Ca 0.46 2.02 0.11 0.00 -0.47 0.00 0.00 55.73 57.86 3is2 s ARG 57 Cb 0.33 -3.23 0.97 0.00 -0.57 0.00 0.00 34.95 32.44 3is2 s ARG 57 CO 0.18 -0.31 2.01 -1.00 -1.08 0.00 0.00 175.30 175.09 3is2 h PRO 58 N 6.05 0.45 -2.23 3.89 0.13 -1.93 -3.35 132.00 135.02 3is2 h PRO 58 Ca -0.43 -0.03 -0.58 0.00 -0.87 0.00 0.00 66.00 64.09 3is2 h PRO 58 Cb 1.21 -0.10 -0.40 0.00 0.13 0.00 0.00 31.00 31.84 3is2 h PRO 58 CO 0.81 0.30 -0.89 0.09 -0.23 0.00 0.00 178.00 178.08 3is2 n ASN 59 N -4.47 1.32 -4.69 1.44 3.02 -1.26 -5.10 115.26 105.52 3is2 n ASN 59 Ca 0.07 -2.89 -0.42 0.00 -0.03 0.00 0.00 54.58 51.31 3is2 n ASN 59 Cb 0.26 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.76 3is2 n ASN 59 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3is2 s PRO 60 N -1.34 4.26 0.00 3.52 0.04 -1.26 -4.89 135.00 135.33 3is2 s PRO 60 Ca 0.35 2.04 0.26 0.00 0.04 0.00 0.00 61.00 63.68 3is2 s PRO 60 Cb 0.12 -3.59 0.63 0.00 0.04 0.00 0.00 34.50 31.70 3is2 s PRO 60 CO -0.11 -0.61 1.50 1.04 0.04 0.00 0.00 177.00 178.86 3is2 n GLN 61 N 5.45 1.80 -3.70 4.56 1.13 -1.26 -4.83 117.38 120.54 3is2 n GLN 61 Ca 0.14 -1.28 -0.11 0.00 -1.94 0.00 0.00 57.00 53.80 3is2 n GLN 61 Cb 0.43 -1.47 -0.11 0.00 0.11 0.00 0.00 30.24 29.20 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 -2.08 -0.02 -0.12 5.09 1.01 -1.26 -5.02 120.40 118.00 3is2 s VAL 62 Ca 0.32 0.08 -0.26 0.00 0.00 0.00 0.00 61.98 62.11 3is2 s VAL 62 Cb 0.20 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 3is2 s VAL 62 CO 0.36 0.03 0.86 -1.61 0.00 0.00 0.00 175.10 174.73 3is2 s GLU 63 N 1.19 4.37 -0.08 2.72 8.01 -1.26 -4.87 118.70 128.77 3is2 s GLU 63 Ca -0.08 1.11 0.12 0.00 0.01 0.00 0.00 54.97 56.12 3is2 s GLU 63 Cb -0.07 -3.53 -0.17 0.00 -4.31 0.00 0.00 34.13 26.04 3is2 s GLU 63 CO -0.10 -0.23 0.13 -0.11 0.01 0.00 0.00 175.26 174.96 3is2 n LEU 64 N 4.79 0.00 0.00 1.80 7.94 -1.26 -5.12 117.00 125.15 3is2 n LEU 64 Ca 0.04 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.97 3is2 n LEU 64 Cb 0.49 0.19 -0.01 0.00 0.53 0.00 0.00 43.42 44.63 3is2 n LEU 64 CO 0.49 0.19 -0.04 0.61 -1.11 0.00 0.00 177.39 177.54 3is2 n GLY 65 N 2.07 -2.08 3.76 -3.96 0.00 -1.26 -4.81 105.19 98.91 3is2 n GLY 65 Ca -0.14 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.81 3.21 0.08 1.61 0.04 -1.26 -4.99 135.00 132.88 3is2 s PRO 66 Ca 0.00 1.80 -0.05 0.00 0.04 0.00 0.00 61.00 62.78 3is2 s PRO 66 Cb 0.00 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 3is2 s PRO 66 CO 0.00 -1.00 0.10 0.14 0.04 0.00 0.00 177.00 176.27 3is2 s VAL 67 N -1.61 0.17 0.23 -0.36 -7.23 -1.26 -5.18 120.40 105.17 3is2 s VAL 67 Ca 0.74 -1.48 -0.07 0.00 -1.81 0.00 0.00 61.98 59.36 3is2 s VAL 67 Cb -0.29 -1.47 0.03 0.00 0.56 0.00 0.00 36.38 35.21 3is2 s VAL 67 CO 0.33 -0.77 0.43 -0.90 -0.31 0.00 0.00 175.10 173.88 3is2 n ASP 68 N -0.00 -1.23 0.00 4.85 5.68 -1.26 -4.98 116.55 119.61 3is2 n ASP 68 Ca -0.14 -2.01 0.07 0.00 -0.50 0.00 0.00 54.79 52.21 3is2 n ASP 68 Cb 0.62 2.09 0.42 0.00 -1.14 0.00 0.00 41.12 43.11 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 -0.33 0.00 1.54 2.12 -2.24 -1.26 -3.18 114.28 110.94 3is2 n THR 69 Ca -0.04 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.88 3is2 n THR 69 Cb 0.36 -0.38 0.56 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.78 1.32 -4.89 3.42 3.41 -1.26 -4.81 113.62 110.04 3is2 n SER 70 Ca 0.11 -1.42 -0.21 0.00 -0.26 0.00 0.00 58.87 57.09 3is2 n SER 70 Cb 0.05 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 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 -2.48 2.56 0.14 0.00 0.00 -1.26 -4.49 121.76 116.24 3is2 s ALA 72 Ca 0.48 -1.31 0.04 0.00 0.00 0.00 0.00 51.96 51.17 3is2 s ALA 72 Cb -0.04 -4.31 -0.04 0.00 0.00 0.00 0.00 23.12 18.73 3is2 s ALA 72 CO 0.28 -3.54 -0.10 -0.48 0.00 0.00 0.00 175.76 171.93 3is2 s LEU 73 N 6.61 2.52 0.07 0.00 0.05 -1.26 -0.56 118.68 126.11 3is2 s LEU 73 Ca 0.45 -1.02 -0.09 0.00 0.05 0.00 0.00 54.13 53.53 3is2 s LEU 73 Cb -0.08 -0.32 -0.00 0.00 -2.05 0.00 0.00 46.19 43.74 3is2 s LEU 73 CO 0.13 -0.35 0.19 0.27 -0.55 0.00 0.00 176.35 176.03 3is2 s ILE 74 N -3.36 0.13 -0.07 1.48 -4.36 -0.57 -1.66 121.20 112.79 3is2 s ILE 74 Ca 0.16 -1.07 0.04 0.00 -0.26 0.00 0.00 60.65 59.53 3is2 s ILE 74 Cb 0.03 -1.15 0.00 0.00 1.25 0.00 0.00 42.46 42.59 3is2 s ILE 74 CO 0.00 -0.59 -0.19 -0.22 0.24 0.00 0.00 174.94 174.18 3is2 s LEU 75 N -2.52 1.93 0.03 0.37 2.96 0.67 -0.96 118.68 121.16 3is2 s LEU 75 Ca 0.01 -0.43 0.08 0.00 -0.22 0.00 0.00 54.13 53.56 3is2 s LEU 75 Cb 0.02 -1.15 -0.03 0.00 0.50 0.00 0.00 46.19 45.54 3is2 s LEU 75 CO -0.08 0.14 -0.24 0.00 -1.32 0.00 0.00 176.35 174.85 3is2 s ASP 77 N -1.14 6.35 0.51 0.00 -1.08 -0.31 -2.21 116.67 118.79 3is2 s ASP 77 Ca 0.12 -0.32 0.30 0.00 -0.52 0.00 0.00 52.55 52.13 3is2 s ASP 77 Cb -0.10 -2.36 1.31 0.00 -1.46 0.00 0.00 42.92 40.32 3is2 s ASP 77 CO 0.02 -0.90 1.98 -0.07 0.52 0.00 0.00 175.17 176.72 3is2 h LEU 78 N 10.02 0.00 -2.94 -1.34 3.38 -1.54 -3.00 115.31 119.89 3is2 h LEU 78 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3is2 h LEU 78 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3is2 h LEU 78 CO 0.95 0.11 0.00 0.29 0.09 0.00 0.00 178.44 179.88 3is2 n LYS 79 N -3.33 3.92 -4.34 1.13 4.01 -1.25 -4.78 118.16 113.52 3is2 n LYS 79 Ca -0.00 -2.46 -0.26 0.00 -0.51 0.00 0.00 58.31 55.08 3is2 n LYS 79 Cb 0.32 -2.04 -0.12 0.00 -0.51 0.00 0.00 35.03 32.67 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 -2.27 1.29 -0.10 1.97 -0.21 -1.13 -5.08 119.66 114.11 3is2 s GLN 80 Ca 0.43 -1.31 -0.37 0.00 0.02 0.00 0.00 55.36 54.13 3is2 s GLN 80 Cb 0.32 -1.60 -0.14 0.00 1.00 0.00 0.00 33.01 32.58 3is2 s GLN 80 CO 0.14 0.37 1.70 1.17 -2.12 0.00 0.00 175.29 176.54 3is2 n LYS 81 N 0.80 1.60 -3.22 2.91 4.81 -1.26 -2.46 118.16 121.33 3is2 n LYS 81 Ca -0.17 0.58 -0.20 0.00 -0.87 0.00 0.00 58.31 57.66 3is2 n LYS 81 Cb 0.54 -2.32 0.05 0.00 0.02 0.00 0.00 35.03 33.32 3is2 n LYS 81 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3is2 n ASP 82 N 5.04 -5.57 -3.42 3.14 2.03 -1.26 -4.14 116.55 112.37 3is2 n ASP 82 Ca 0.23 -0.37 -0.17 0.00 0.52 0.00 0.00 54.79 54.99 3is2 n ASP 82 Cb 0.21 -4.27 0.00 0.00 -0.72 0.00 0.00 41.12 36.35 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 -4.49 -1.67 -2.50 5.18 5.66 -1.03 -4.53 114.28 110.90 3is2 n THR 83 Ca -0.03 -0.10 -0.35 0.00 -3.05 0.00 0.00 64.05 60.52 3is2 n THR 83 Cb 0.57 -1.47 -0.03 0.00 -1.55 0.00 0.00 70.33 67.85 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 -4.42 3.90 -0.03 1.09 0.04 -1.25 -4.61 135.00 129.71 3is2 s PRO 84 Ca 0.08 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 3is2 s PRO 84 Cb -0.04 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 3is2 s PRO 84 CO 0.51 -0.37 1.42 0.42 0.04 0.00 0.00 177.00 179.02 3is2 s ILE 85 N -1.81 3.78 -0.66 0.56 1.01 -0.65 -1.16 121.20 122.27 3is2 s ILE 85 Ca 0.64 1.10 0.11 0.00 0.00 0.00 0.00 60.65 62.50 3is2 s ILE 85 Cb -0.20 -3.71 -0.08 0.00 0.01 0.00 0.00 42.46 38.48 3is2 s ILE 85 CO 0.25 -0.03 0.52 1.33 0.00 0.00 0.00 174.94 177.01 3is2 n VAL 86 N 4.90 0.00 -3.66 2.92 0.24 0.88 -0.55 118.33 123.06 3is2 n VAL 86 Ca 0.14 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.34 62.04 3is2 n VAL 86 Cb 0.44 1.04 -0.08 0.00 -1.47 0.00 0.00 33.84 33.76 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 -1.87 -0.75 -0.02 6.34 6.14 -1.09 -4.89 117.35 121.21 3is2 s TYR 87 Ca 0.06 1.70 -0.00 0.00 0.64 0.00 0.00 57.07 59.47 3is2 s TYR 87 Cb 0.08 0.33 0.03 0.00 0.42 0.00 0.00 41.96 42.82 3is2 s TYR 87 CO 0.40 -0.37 0.02 0.00 0.64 0.00 0.00 175.55 176.24 3is2 s ALA 88 N 0.78 0.15 0.88 3.97 0.00 -1.26 -0.24 121.76 126.04 3is2 s ALA 88 Ca -0.04 0.26 -0.12 0.00 0.00 0.00 0.00 51.96 52.07 3is2 s ALA 88 Cb -0.05 -0.29 0.12 0.00 0.00 0.00 0.00 23.12 22.89 3is2 s ALA 88 CO -0.06 -0.13 1.10 -1.54 0.00 0.00 0.00 175.76 175.14 3is2 s SER 89 N 1.14 3.74 0.41 0.00 1.04 -0.67 -4.90 113.70 114.46 3is2 s SER 89 Ca -0.08 1.28 0.12 0.00 0.48 0.00 0.00 55.95 57.74 3is2 s SER 89 Cb -0.13 -1.96 0.86 0.00 0.10 0.00 0.00 66.02 64.89 3is2 s SER 89 CO -0.03 -2.44 1.94 -0.33 0.98 0.00 0.00 173.24 173.36 3is2 h GLU 90 N -1.41 0.12 -0.44 4.02 5.08 -1.88 -2.59 114.58 117.48 3is2 h GLU 90 Ca -0.49 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 57.75 3is2 h GLU 90 Cb 1.29 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 3is2 h GLU 90 CO 0.58 0.30 -0.07 0.00 -1.00 0.00 0.00 179.01 178.82 3is2 h ALA 91 N 1.71 1.05 -0.19 3.43 0.00 -1.88 -1.33 119.26 122.07 3is2 h ALA 91 Ca 0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3is2 h ALA 91 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3is2 h ALA 91 CO 0.03 0.58 0.02 0.35 0.00 0.00 0.00 179.25 180.22 3is2 h PHE 92 N 0.70 0.35 0.00 0.00 3.57 -1.71 -0.76 116.94 119.08 3is2 h PHE 92 Ca 0.13 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3is2 h PHE 92 Cb 0.53 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 3is2 h PHE 92 CO 0.03 0.50 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.40 3is2 h LEU 93 N 0.09 0.00 0.02 0.59 3.38 -1.33 -1.30 115.31 116.77 3is2 h LEU 93 Ca 0.06 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 3is2 h LEU 93 Cb 0.35 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.11 3is2 h LEU 93 CO 0.01 0.13 -0.53 0.22 0.09 0.00 0.00 178.44 178.36 3is2 h TYR 94 N 0.00 0.48 -0.36 1.13 -0.00 -1.01 -2.70 116.97 114.51 3is2 h TYR 94 Ca -0.00 -0.28 -0.07 0.00 -0.00 0.00 0.00 58.73 58.38 3is2 h TYR 94 Cb 0.23 -0.05 -0.02 0.00 -0.00 0.00 0.00 36.73 36.90 3is2 h TYR 94 CO 0.00 1.12 -0.08 1.98 -0.00 0.00 0.00 178.16 181.17 3is2 h MET 95 N -0.29 0.61 -0.00 1.82 4.05 -0.79 -3.20 114.93 117.13 3is2 h MET 95 Ca -0.07 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 3is2 h MET 95 Cb 1.28 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 3is2 h MET 95 CO 0.10 0.69 -0.72 0.25 0.23 0.00 0.00 176.91 177.47 3is2 n THR 96 N -4.20 0.00 -0.38 -0.77 -2.24 -0.52 -4.88 114.28 101.29 3is2 n THR 96 Ca 0.01 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3is2 n THR 96 Cb 0.32 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 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 1.48 1.77 3.92 3.38 0.00 -1.02 -0.15 105.19 114.57 3is2 n GLY 97 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.98 3.53 0.48 1.61 1.51 -1.22 -4.73 117.35 115.55 3is2 s TYR 98 Ca 0.00 0.63 0.09 0.00 -1.01 0.00 0.00 57.07 56.78 3is2 s TYR 98 Cb 0.00 -2.14 0.04 0.00 -0.11 0.00 0.00 41.96 39.75 3is2 s TYR 98 CO 0.00 -0.10 0.65 -1.54 -1.11 0.00 0.00 175.55 173.45 3is2 s SER 99 N -4.01 5.42 0.41 2.29 1.04 -1.26 -4.60 113.70 112.98 3is2 s SER 99 Ca 0.44 -0.60 0.10 0.00 0.48 0.00 0.00 55.95 56.37 3is2 s SER 99 Cb -0.10 -0.27 0.86 0.00 0.10 0.00 0.00 66.02 66.61 3is2 s SER 99 CO 0.40 -0.99 1.98 0.78 0.98 0.00 0.00 173.24 176.39 3is2 h ASN 100 N 0.47 0.25 0.46 7.02 2.35 -1.97 -1.96 115.58 122.20 3is2 h ASN 100 Ca -0.36 -0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.22 3is2 h ASN 100 Cb 1.28 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 3is2 h ASN 100 CO 0.44 0.33 -0.58 0.00 -1.65 0.00 0.00 177.43 175.97 3is2 h ALA 101 N 1.71 0.96 0.00 -0.83 0.00 -1.95 -2.66 119.26 116.50 3is2 h ALA 101 Ca 0.06 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3is2 h ALA 101 Cb 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3is2 h ALA 101 CO 0.01 0.72 -0.16 0.39 0.00 0.00 0.00 179.25 180.21 3is2 n GLU 102 N -3.87 0.05 -0.02 0.00 1.02 -0.77 -4.36 120.64 112.68 3is2 n GLU 102 Ca -0.02 0.03 -0.03 0.00 -0.02 0.00 0.00 57.16 57.12 3is2 n GLU 102 Cb 0.59 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 30.43 3is2 n GLU 102 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3is2 n VAL 103 N -1.63 0.30 -1.73 2.62 0.24 -0.99 -4.91 118.33 112.23 3is2 n VAL 103 Ca 0.06 -0.14 -0.42 0.00 -2.04 0.00 0.00 64.34 61.80 3is2 n VAL 103 Cb 0.36 -0.77 -0.02 0.00 -1.47 0.00 0.00 33.84 31.94 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 -2.47 4.17 0.00 1.34 4.32 -1.01 -2.13 117.00 121.23 3is2 n LEU 104 Ca -0.08 1.14 0.00 0.00 -0.02 0.00 0.00 56.01 57.05 3is2 n LEU 104 Cb 0.61 -1.57 0.00 0.00 -1.62 0.00 0.00 43.42 40.84 3is2 n LEU 104 CO 0.07 0.07 0.00 0.61 -1.22 0.00 0.00 177.39 176.92 3is2 n GLY 105 N 2.28 0.78 3.58 -0.72 0.00 0.29 -4.96 105.19 106.44 3is2 n GLY 105 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.12 2.09 0.30 1.61 0.52 -0.90 -4.73 118.95 117.71 3is2 s ARG 106 Ca 0.00 -1.23 -0.28 0.00 -0.52 0.00 0.00 55.73 53.71 3is2 s ARG 106 Cb 0.00 -2.19 -0.09 0.00 0.52 0.00 0.00 34.95 33.19 3is2 s ARG 106 CO 0.00 0.45 1.03 1.21 0.02 0.00 0.00 175.30 178.00 3is2 s ASN 107 N -2.75 7.27 0.00 0.23 3.84 -1.26 -1.64 114.94 120.63 3is2 s ASN 107 Ca 0.24 2.08 0.11 0.00 0.21 0.00 0.00 52.86 55.50 3is2 s ASN 107 Cb -0.09 -2.61 0.62 0.00 -0.55 0.00 0.00 41.25 38.62 3is2 s ASN 107 CO 0.15 -0.13 1.19 0.00 -2.79 0.00 0.00 177.10 175.52 3is2 n ARG 109 N -1.15 0.23 0.26 0.00 1.85 -1.26 -2.93 116.66 113.66 3is2 n ARG 109 Ca 0.07 0.13 0.17 0.00 -1.00 0.00 0.00 57.85 57.22 3is2 n ARG 109 Cb 0.06 -1.50 0.75 0.00 -1.05 0.00 0.00 32.46 30.73 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 -1.84 -1.95 116.94 110.89 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 0.16 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.33 3is2 h PHE 110 CO 0.00 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.59 3is2 n LEU 111 N -2.91 0.55 0.00 2.10 4.77 -1.15 -2.94 117.00 117.41 3is2 n LEU 111 Ca 0.00 0.60 0.10 0.00 -0.03 0.00 0.00 56.01 56.68 3is2 n LEU 111 Cb 0.24 -0.48 0.58 0.00 -2.33 0.00 0.00 43.42 41.43 3is2 n LEU 111 CO 0.24 -0.34 0.79 0.00 -1.33 0.00 0.00 177.39 176.74 3is2 n GLN 112 N -2.07 0.70 -3.91 3.23 6.02 -0.73 -0.53 117.38 120.10 3is2 n GLN 112 Ca 0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.88 3is2 n GLN 112 Cb 0.29 -1.43 -0.15 0.00 1.02 0.00 0.00 30.24 29.97 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 -1.91 0.21 0.00 1.08 0.15 -1.15 -4.75 113.70 107.33 3is2 s SER 113 Ca 0.29 -0.01 0.04 0.00 0.70 0.00 0.00 55.95 56.97 3is2 s SER 113 Cb 0.13 -0.08 0.21 0.00 -1.71 0.00 0.00 66.02 64.58 3is2 s SER 113 CO 0.23 -0.04 0.75 -0.81 1.20 0.00 0.00 173.24 174.56 3is2 n PRO 114 N 3.57 0.10 0.00 5.44 -0.04 -1.26 -0.39 135.00 142.41 3is2 n PRO 114 Ca -0.19 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 3is2 n PRO 114 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 3is2 n PRO 114 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3is2 n ASP 115 N -1.06 0.79 -0.14 3.54 3.85 -1.26 -4.27 116.55 118.01 3is2 n ASP 115 Ca 0.03 -0.90 -0.02 0.00 -0.71 0.00 0.00 54.79 53.19 3is2 n ASP 115 Cb 0.02 0.22 -0.01 0.00 -1.35 0.00 0.00 41.12 40.00 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 0.24 0.50 3.31 6.12 0.00 0.47 -5.00 105.19 110.82 3is2 n GLY 116 Ca 0.00 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.15 2.83 -0.21 1.61 -1.94 -1.26 -4.75 119.30 114.43 3is2 s MET 117 Ca 0.00 -1.04 -0.04 0.00 -1.71 0.00 0.00 55.69 52.91 3is2 s MET 117 Cb 0.00 -3.43 0.10 0.00 2.01 0.00 0.00 34.83 33.52 3is2 s MET 117 CO 0.00 -0.57 0.26 0.08 -0.01 0.00 0.00 175.02 174.78 3is2 s VAL 118 N 1.45 -0.39 0.12 -6.03 1.01 -1.26 -4.76 120.40 110.54 3is2 s VAL 118 Ca 0.00 -0.11 -0.25 0.00 0.00 0.00 0.00 61.98 61.62 3is2 s VAL 118 Cb -0.18 -0.71 -0.07 0.00 0.00 0.00 0.00 36.38 35.41 3is2 s VAL 118 CO 0.03 -0.19 0.78 -0.54 0.00 0.00 0.00 175.10 175.18 3is2 s LYS 119 N 2.38 4.55 0.53 2.72 -0.14 -1.26 -4.82 119.74 123.69 3is2 s LYS 119 Ca 0.08 1.14 -0.20 0.00 -1.36 0.00 0.00 55.97 55.63 3is2 s LYS 119 Cb -0.16 -3.30 -0.09 0.00 -1.68 0.00 0.00 37.83 32.60 3is2 s LYS 119 CO -0.13 0.45 0.68 -2.30 -0.76 0.00 0.00 175.35 173.30 3is2 n PRO 120 N 2.08 0.72 0.00 -1.68 -0.02 -1.26 -2.03 135.00 132.82 3is2 n PRO 120 Ca -0.04 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3is2 n PRO 120 Cb 0.49 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 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 -0.08 0.00 -1.74 -0.52 4.76 -1.26 -4.96 118.16 114.35 3is2 n LYS 121 Ca 0.12 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.20 3is2 n LYS 121 Cb 0.45 -2.64 0.06 0.00 -1.84 0.00 0.00 35.03 31.06 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 -2.66 4.74 -0.58 4.39 1.04 -0.86 -4.96 113.70 114.80 3is2 s SER 122 Ca 0.00 2.38 -0.22 0.00 0.48 0.00 0.00 55.95 58.59 3is2 s SER 122 Cb 0.00 -2.59 0.06 0.00 0.10 0.00 0.00 66.02 63.59 3is2 s SER 122 CO 0.00 -1.90 0.86 -0.89 0.98 0.00 0.00 173.24 172.29 3is2 s THR 123 N -1.76 4.51 0.54 2.02 2.01 -1.26 -5.02 115.64 116.68 3is2 s THR 123 Ca 0.76 -0.22 -0.21 0.00 0.31 0.00 0.00 61.69 62.33 3is2 s THR 123 Cb -0.30 -4.53 -0.06 0.00 0.01 0.00 0.00 72.50 67.62 3is2 s THR 123 CO 0.39 -1.17 1.19 0.54 -0.69 0.00 0.00 174.62 174.88 3is2 n ARG 124 N 7.17 1.40 0.00 4.92 3.00 -1.26 -4.93 116.66 126.95 3is2 n ARG 124 Ca -0.03 0.52 0.11 0.00 -0.01 0.00 0.00 57.85 58.43 3is2 n ARG 124 Cb 0.46 -2.37 0.08 0.00 0.00 0.00 0.00 32.46 30.63 3is2 n ARG 124 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 3is2 n LYS 125 N -0.85 1.93 0.00 5.56 0.00 -1.26 -4.43 118.16 119.12 3is2 n LYS 125 Ca 0.11 -1.73 0.00 0.00 -0.00 0.00 0.00 58.31 56.70 3is2 n LYS 125 Cb 0.45 -1.41 0.00 0.00 -0.00 0.00 0.00 35.03 34.07 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 1.13 0.00 -4.41 5.58 4.01 -1.26 -5.06 117.16 117.15 3is2 n TYR 126 Ca 0.12 -0.08 -0.22 0.00 -0.16 0.00 0.00 57.90 57.56 3is2 n TYR 126 Cb 0.53 -0.01 -0.16 0.00 -0.31 0.00 0.00 39.34 39.39 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 -0.17 0.87 -0.27 -0.72 1.01 -1.26 -4.79 120.40 115.07 3is2 s VAL 127 Ca 0.00 -0.34 -0.39 0.00 0.00 0.00 0.00 61.98 61.25 3is2 s VAL 127 Cb 0.00 -0.81 -0.15 0.00 0.00 0.00 0.00 36.38 35.42 3is2 s VAL 127 CO 0.00 0.29 1.82 -0.67 0.00 0.00 0.00 175.10 176.54 3is2 n ASP 128 N 3.77 2.47 -0.12 3.32 -0.08 -1.26 -4.70 116.55 119.95 3is2 n ASP 128 Ca -0.23 0.99 0.02 0.00 -1.51 0.00 0.00 54.79 54.06 3is2 n ASP 128 Cb 0.52 -1.18 0.33 0.00 2.34 0.00 0.00 41.12 43.13 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 8.05 0.68 -0.36 1.67 0.02 -1.99 -2.68 113.55 118.95 3is2 h SER 129 Ca -0.44 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.44 3is2 h SER 129 Cb 1.31 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 3is2 h SER 129 CO 0.97 0.49 0.02 -1.13 -1.14 0.00 0.00 176.83 176.04 3is2 h ASN 130 N 0.81 0.61 0.16 3.07 -1.24 -2.00 -2.52 115.58 114.47 3is2 h ASN 130 Ca 0.22 -0.29 0.01 0.00 0.71 0.00 0.00 56.30 56.94 3is2 h ASN 130 Cb -0.09 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 38.78 3is2 h ASN 130 CO -0.05 0.75 -0.19 0.74 -1.29 0.00 0.00 177.43 177.40 3is2 h THR 131 N 0.44 0.58 -0.39 -3.57 2.02 -1.88 -0.26 112.91 109.85 3is2 h THR 131 Ca 0.10 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.40 3is2 h THR 131 Cb 0.43 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3is2 h THR 131 CO 0.02 0.00 0.32 0.40 0.37 0.00 0.00 175.52 176.62 3is2 h ILE 132 N -0.39 0.66 0.15 3.11 2.04 -1.44 0.81 117.51 122.43 3is2 h ILE 132 Ca 0.01 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.58 3is2 h ILE 132 Cb 0.38 0.77 0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3is2 h ILE 132 CO -0.07 0.00 -1.28 -1.13 0.00 0.00 0.00 178.15 175.68 3is2 h ASN 133 N 0.00 0.53 0.20 1.72 -1.24 -0.87 -2.86 115.58 113.05 3is2 h ASN 133 Ca 0.19 -0.55 0.00 0.00 0.71 0.00 0.00 56.30 56.65 3is2 h ASN 133 Cb 0.82 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.69 3is2 h ASN 133 CO -0.00 1.43 -0.17 0.74 -1.29 0.00 0.00 177.43 178.13 3is2 h THR 134 N 0.10 0.62 -0.24 -3.57 2.02 0.86 -1.22 112.91 111.47 3is2 h THR 134 Ca -0.16 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.08 3is2 h THR 134 Cb 1.99 0.62 -0.06 0.00 -1.74 0.00 0.00 68.15 68.97 3is2 h THR 134 CO 0.22 0.00 -0.11 0.24 0.37 0.00 0.00 175.52 176.24 3is2 h MET 135 N -0.39 -0.07 -0.38 6.66 2.86 -1.44 -1.54 114.93 120.63 3is2 h MET 135 Ca -0.00 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 3is2 h MET 135 Cb 0.36 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.95 3is2 h MET 135 CO -0.03 -0.05 -0.17 -0.09 1.06 0.00 0.00 176.91 177.63 3is2 h ARG 136 N -0.08 -0.10 -0.34 1.72 2.43 -1.23 -1.06 114.38 115.72 3is2 h ARG 136 Ca 0.13 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.18 3is2 h ARG 136 Cb 0.27 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3is2 h ARG 136 CO -0.30 -0.07 -0.29 0.87 -1.51 0.00 0.00 179.97 178.68 3is2 h LYS 137 N -0.10 0.79 -0.44 0.20 1.57 -1.01 -2.28 116.57 115.29 3is2 h LYS 137 Ca 0.19 -0.40 0.06 0.00 -1.87 0.00 0.00 60.65 58.63 3is2 h LYS 137 Cb 0.39 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.65 3is2 h LYS 137 CO -0.44 1.03 0.11 0.00 -0.57 0.00 0.00 179.45 179.58 3is2 h ALA 138 N 0.75 0.50 -0.66 3.86 0.00 -0.94 -1.11 119.26 121.67 3is2 h ALA 138 Ca 0.06 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3is2 h ALA 138 Cb 0.86 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3is2 h ALA 138 CO 0.07 -0.29 0.16 0.82 0.00 0.00 0.00 179.25 180.02 3is2 h ILE 139 N 0.26 1.26 -0.39 0.00 2.04 -1.15 0.27 117.51 119.80 3is2 h ILE 139 Ca 0.21 -0.94 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 3is2 h ILE 139 Cb 0.24 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3is2 h ILE 139 CO -0.25 0.36 0.05 0.44 0.00 0.00 0.00 178.15 178.75 3is2 h ASP 140 N 0.97 0.55 -0.09 1.72 3.45 -0.90 -2.40 116.42 119.72 3is2 h ASP 140 Ca 0.21 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.57 3is2 h ASP 140 Cb 0.36 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 3is2 h ASP 140 CO 0.00 0.58 0.00 0.54 -1.57 0.00 0.00 179.24 178.79 3is2 n ARG 141 N -4.30 1.77 -3.70 3.56 1.74 -0.46 -4.94 116.66 110.33 3is2 n ARG 141 Ca 0.02 -1.14 -0.25 0.00 -0.77 0.00 0.00 57.85 55.72 3is2 n ARG 141 Cb 0.22 -1.45 0.05 0.00 -1.02 0.00 0.00 32.46 30.27 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 0.37 -4.24 -4.50 0.55 3.02 -0.22 -4.98 115.26 105.25 3is2 n ASN 142 Ca 0.18 -0.69 -0.34 0.00 -0.03 0.00 0.00 54.58 53.71 3is2 n ASN 142 Cb 0.37 -4.48 -0.12 0.00 -0.61 0.00 0.00 39.78 34.94 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 -3.39 2.89 0.70 5.41 0.00 0.77 -4.80 121.76 123.35 3is2 s ALA 143 Ca 0.42 -0.87 -0.16 0.00 0.00 0.00 0.00 51.96 51.34 3is2 s ALA 143 Cb -0.20 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.63 3is2 s ALA 143 CO 0.78 0.40 1.17 0.39 0.00 0.00 0.00 175.76 178.49 3is2 n GLU 144 N 2.90 0.73 -3.57 0.00 1.02 -1.26 -4.40 120.64 116.06 3is2 n GLU 144 Ca -0.18 0.31 -0.16 0.00 -0.02 0.00 0.00 57.16 57.11 3is2 n GLU 144 Cb 0.53 -2.41 -0.06 0.00 -0.02 0.00 0.00 31.44 29.48 3is2 n GLU 144 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3is2 s VAL 145 N -1.67 0.02 -0.07 2.62 0.11 -0.90 -5.01 120.40 115.50 3is2 s VAL 145 Ca 0.78 -0.13 -0.03 0.00 -2.93 0.00 0.00 61.98 59.67 3is2 s VAL 145 Cb -0.35 -0.93 0.04 0.00 -1.53 0.00 0.00 36.38 33.61 3is2 s VAL 145 CO 0.46 -0.07 0.14 -1.58 -3.33 0.00 0.00 175.10 170.72 3is2 s GLN 146 N -1.57 0.06 0.29 1.54 0.74 -1.26 -0.94 119.66 118.52 3is2 s GLN 146 Ca -0.10 0.44 -0.03 0.00 0.05 0.00 0.00 55.36 55.72 3is2 s GLN 146 Cb -0.01 -0.23 -0.01 0.00 1.10 0.00 0.00 33.01 33.86 3is2 s GLN 146 CO 0.06 -0.23 0.38 0.14 -0.55 0.00 0.00 175.29 175.09 3is2 s VAL 147 N 1.64 0.00 -0.26 1.34 -7.23 0.03 -5.01 120.40 110.92 3is2 s VAL 147 Ca -0.04 -1.69 0.01 0.00 -1.81 0.00 0.00 61.98 58.45 3is2 s VAL 147 Cb -0.12 -2.50 0.05 0.00 0.56 0.00 0.00 36.38 34.38 3is2 s VAL 147 CO -0.06 0.00 -0.09 -1.61 -0.31 0.00 0.00 175.10 173.03 3is2 s GLU 148 N -3.55 2.39 0.08 4.82 2.02 -1.26 -1.19 118.70 122.01 3is2 s GLU 148 Ca 0.32 -1.26 0.10 0.00 0.02 0.00 0.00 54.97 54.15 3is2 s GLU 148 Cb 0.01 -2.93 -0.03 0.00 0.10 0.00 0.00 34.13 31.28 3is2 s GLU 148 CO 0.17 -0.54 -0.26 0.54 0.02 0.00 0.00 175.26 175.19 3is2 s VAL 149 N 1.16 2.14 -0.01 2.63 0.11 -0.52 -4.94 120.40 120.97 3is2 s VAL 149 Ca -0.06 -1.54 -0.29 0.00 -2.93 0.00 0.00 61.98 57.15 3is2 s VAL 149 Cb -0.19 -1.87 -0.03 0.00 -1.53 0.00 0.00 36.38 32.76 3is2 s VAL 149 CO -0.05 0.22 0.95 -0.69 -3.33 0.00 0.00 175.10 172.20 3is2 s VAL 150 N -0.93 4.89 0.18 2.04 1.01 -1.26 -0.98 120.40 125.35 3is2 s VAL 150 Ca 0.12 1.98 0.01 0.00 0.00 0.00 0.00 61.98 64.10 3is2 s VAL 150 Cb -0.10 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 3is2 s VAL 150 CO 0.04 0.16 0.03 0.20 0.00 0.00 0.00 175.10 175.53 3is2 s ASN 151 N 0.99 1.07 -0.03 3.32 0.02 -0.77 -4.56 114.94 114.98 3is2 s ASN 151 Ca 0.50 -1.22 0.02 0.00 -1.02 0.00 0.00 52.86 51.14 3is2 s ASN 151 Cb -0.20 0.15 0.01 0.00 0.02 0.00 0.00 41.25 41.23 3is2 s ASN 151 CO 0.26 -0.62 -0.08 -0.36 0.02 0.00 0.00 177.10 176.31 3is2 s PHE 152 N -3.74 0.93 0.87 2.20 0.08 0.31 -1.30 117.98 117.34 3is2 s PHE 152 Ca 0.27 -0.24 -0.12 0.00 0.12 0.00 0.00 56.93 56.96 3is2 s PHE 152 Cb 0.07 -0.69 0.11 0.00 -0.57 0.00 0.00 43.02 41.94 3is2 s PHE 152 CO 0.06 -0.12 1.10 0.15 -0.10 0.00 0.00 175.22 176.30 3is2 s LYS 153 N 0.33 1.47 0.49 0.44 1.02 0.21 -4.80 119.74 118.89 3is2 s LYS 153 Ca -0.05 0.64 0.26 0.00 0.02 0.00 0.00 55.97 56.83 3is2 s LYS 153 Cb -0.10 -1.85 1.31 0.00 -0.52 0.00 0.00 37.83 36.68 3is2 s LYS 153 CO 0.01 -2.05 1.87 -0.22 -0.92 0.00 0.00 175.35 174.04 3is2 h LYS 154 N -1.40 0.16 -0.13 1.68 3.64 -0.84 0.38 116.57 120.07 3is2 h LYS 154 Ca -0.49 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3is2 h LYS 154 Cb 1.29 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3is2 h LYS 154 CO 0.58 0.11 0.00 0.27 -2.27 0.00 0.00 179.45 178.14 3is2 n ASN 155 N -4.38 1.09 0.00 4.20 2.04 -1.26 -4.90 115.26 112.04 3is2 n ASN 155 Ca 0.19 -1.68 0.00 0.00 -0.44 0.00 0.00 54.58 52.64 3is2 n ASN 155 Cb 0.85 -0.08 0.00 0.00 -2.53 0.00 0.00 39.78 38.02 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 0.97 0.78 3.70 4.83 0.00 0.13 -5.03 105.19 110.57 3is2 n GLY 156 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.57 4.28 0.13 1.61 0.74 -1.25 -4.68 119.66 119.92 3is2 s GLN 157 Ca 0.00 2.11 -0.25 0.00 0.05 0.00 0.00 55.36 57.27 3is2 s GLN 157 Cb 0.00 -3.41 -0.07 0.00 1.10 0.00 0.00 33.01 30.62 3is2 s GLN 157 CO 0.00 -0.55 0.77 0.50 -0.55 0.00 0.00 175.29 175.45 3is2 s ARG 158 N 1.82 4.54 0.11 1.67 3.52 -1.26 -0.62 118.95 128.72 3is2 s ARG 158 Ca 0.67 1.12 -0.14 0.00 -0.13 0.00 0.00 55.73 57.25 3is2 s ARG 158 Cb -0.36 -3.29 0.02 0.00 -1.56 0.00 0.00 34.95 29.77 3is2 s ARG 158 CO 0.29 0.50 0.34 -0.59 -0.81 0.00 0.00 175.30 175.04 3is2 s PHE 159 N -0.88 -0.10 -0.30 5.12 -0.71 -0.42 -4.98 117.98 115.71 3is2 s PHE 159 Ca 0.36 -0.22 -0.15 0.00 -1.04 0.00 0.00 56.93 55.88 3is2 s PHE 159 Cb -0.22 0.16 -0.03 0.00 -1.21 0.00 0.00 43.02 41.72 3is2 s PHE 159 CO 0.25 -0.64 0.37 0.08 -1.34 0.00 0.00 175.22 173.94 3is2 s VAL 160 N -3.67 5.17 -0.30 -2.49 1.01 -1.26 -1.85 120.40 117.02 3is2 s VAL 160 Ca 0.02 0.38 -0.15 0.00 0.00 0.00 0.00 61.98 62.23 3is2 s VAL 160 Cb 0.02 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 3is2 s VAL 160 CO -0.11 0.07 0.38 0.21 0.00 0.00 0.00 175.10 175.65 3is2 s ASN 161 N 1.68 6.22 -0.98 3.32 3.84 -0.16 -4.43 114.94 124.44 3is2 s ASN 161 Ca 0.14 0.08 -0.17 0.00 0.21 0.00 0.00 52.86 53.11 3is2 s ASN 161 Cb -0.16 -2.21 0.15 0.00 -0.55 0.00 0.00 41.25 38.48 3is2 s ASN 161 CO 0.11 -0.26 1.17 0.12 -2.79 0.00 0.00 177.10 175.45 3is2 s PHE 162 N 2.07 3.25 0.06 0.43 5.99 0.15 -1.44 117.98 128.49 3is2 s PHE 162 Ca 0.14 -1.59 -0.13 0.00 0.00 0.00 0.00 56.93 55.34 3is2 s PHE 162 Cb -0.16 -4.26 -0.06 0.00 0.00 0.00 0.00 43.02 38.54 3is2 s PHE 162 CO 0.11 -1.44 0.44 -1.17 -0.00 0.00 0.00 175.22 173.16 3is2 s LEU 163 N 2.28 4.41 -0.03 6.12 2.96 -0.33 -2.58 118.68 131.50 3is2 s LEU 163 Ca 0.34 0.95 0.01 0.00 -0.22 0.00 0.00 54.13 55.21 3is2 s LEU 163 Cb -0.05 -2.86 0.02 0.00 0.50 0.00 0.00 46.19 43.80 3is2 s LEU 163 CO -0.07 0.23 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.26 3is2 s THR 164 N -1.26 0.40 -0.08 3.68 2.01 -0.72 -0.79 115.64 118.89 3is2 s THR 164 Ca 0.30 -0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.24 3is2 s THR 164 Cb -0.16 -0.42 0.01 0.00 0.01 0.00 0.00 72.50 71.94 3is2 s THR 164 CO 0.16 0.17 -0.17 -0.04 -0.69 0.00 0.00 174.62 174.06 3is2 s MET 165 N 0.66 2.25 -0.09 4.92 1.00 -0.12 -0.34 119.30 127.59 3is2 s MET 165 Ca -0.08 -0.61 0.02 0.00 0.00 0.00 0.00 55.69 55.02 3is2 s MET 165 Cb -0.11 -1.77 0.02 0.00 0.00 0.00 0.00 34.83 32.96 3is2 s MET 165 CO -0.00 0.10 -0.13 0.42 0.00 0.00 0.00 175.02 175.41 3is2 s ILE 166 N 0.51 1.25 0.60 2.53 -1.09 -0.35 -2.11 121.20 122.54 3is2 s ILE 166 Ca -0.16 -0.51 -0.17 0.00 -2.23 0.00 0.00 60.65 57.58 3is2 s ILE 166 Cb -0.17 -1.16 -0.03 0.00 -1.58 0.00 0.00 42.46 39.53 3is2 s ILE 166 CO 0.06 0.39 1.14 -2.16 -1.23 0.00 0.00 174.94 173.13 3is2 s PRO 167 N 0.95 3.02 0.01 2.79 0.04 -1.26 -1.02 135.00 139.53 3is2 s PRO 167 Ca -0.09 1.57 0.03 0.00 0.04 0.00 0.00 61.00 62.55 3is2 s PRO 167 Cb -0.15 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 3is2 s PRO 167 CO -0.00 -1.11 -0.09 0.08 0.04 0.00 0.00 177.00 175.93 3is2 s VAL 168 N -1.97 0.66 -0.13 -0.36 1.01 0.57 -4.85 120.40 115.33 3is2 s VAL 168 Ca 0.71 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 3is2 s VAL 168 Cb -0.24 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 3is2 s VAL 168 CO 0.34 0.02 0.24 -0.13 0.00 0.00 0.00 175.10 175.57 3is2 s ARG 169 N -0.63 3.97 0.00 2.72 0.52 -1.26 -1.38 118.95 122.89 3is2 s ARG 169 Ca -0.00 0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.23 3is2 s ARG 169 Cb -0.05 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 32.09 3is2 s ARG 169 CO 0.00 0.47 0.00 -0.40 0.02 0.00 0.00 175.30 175.39 3is2 n ASP 170 N 2.85 0.00 0.33 0.23 5.68 -1.08 -4.84 116.55 119.72 3is2 n ASP 170 Ca -0.15 -0.53 0.20 0.00 -0.50 0.00 0.00 54.79 53.81 3is2 n ASP 170 Cb 0.53 0.00 1.09 0.00 -1.14 0.00 0.00 41.12 41.59 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 -1.99 -1.49 114.58 115.60 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 -0.12 0.25 -1.16 0.00 0.00 179.01 177.98 3is2 n THR 172 N -2.99 0.00 -0.70 1.13 -2.24 -1.26 -4.91 114.28 103.31 3is2 n THR 172 Ca -0.03 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3is2 n THR 172 Cb 0.16 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 1.42 0.79 3.47 3.38 0.00 -0.56 -5.04 105.19 108.65 3is2 n GLY 173 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.30 2.04 -0.27 1.61 2.02 -1.26 -4.89 118.70 117.65 3is2 s GLU 174 Ca 0.00 -1.01 -0.32 0.00 0.02 0.00 0.00 54.97 53.66 3is2 s GLU 174 Cb 0.00 -2.19 -0.09 0.00 0.10 0.00 0.00 34.13 31.95 3is2 s GLU 174 CO 0.00 0.53 2.17 0.66 0.02 0.00 0.00 175.26 178.64 3is2 n TYR 175 N 1.38 1.83 -0.01 1.61 4.01 -1.26 -2.63 117.16 122.09 3is2 n TYR 175 Ca -0.16 0.08 -0.01 0.00 -0.16 0.00 0.00 57.90 57.66 3is2 n TYR 175 Cb 0.52 -2.62 -0.01 0.00 -0.31 0.00 0.00 39.34 36.91 3is2 n TYR 175 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3is2 n ARG 176 N 8.23 2.95 -4.48 -0.72 3.00 -0.48 -4.95 116.66 120.22 3is2 n ARG 176 Ca 0.35 -0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.95 3is2 n ARG 176 Cb 0.32 -1.05 -0.08 0.00 0.00 0.00 0.00 32.46 31.65 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 -2.06 1.78 -0.05 -0.14 1.51 -0.97 -1.34 117.35 116.08 3is2 s TYR 177 Ca -0.01 -1.29 -0.02 0.00 -1.01 0.00 0.00 57.07 54.74 3is2 s TYR 177 Cb 0.01 -1.12 0.03 0.00 -0.11 0.00 0.00 41.96 40.77 3is2 s TYR 177 CO 0.08 -0.32 0.11 0.45 -1.11 0.00 0.00 175.55 174.75 3is2 s SER 178 N -3.57 -0.07 -0.13 2.29 0.15 -0.94 -0.31 113.70 111.12 3is2 s SER 178 Ca 0.27 0.22 -0.02 0.00 0.70 0.00 0.00 55.95 57.11 3is2 s SER 178 Cb 0.03 0.13 -0.02 0.00 -1.71 0.00 0.00 66.02 64.45 3is2 s SER 178 CO 0.15 -0.11 -0.07 -0.32 1.20 0.00 0.00 173.24 174.09 3is2 s MET 179 N 0.86 3.42 -0.06 5.44 1.75 -0.18 -1.53 119.30 129.00 3is2 s MET 179 Ca -0.07 -0.56 0.02 0.00 -1.25 0.00 0.00 55.69 53.83 3is2 s MET 179 Cb -0.09 -2.78 -0.03 0.00 2.84 0.00 0.00 34.83 34.77 3is2 s MET 179 CO -0.04 0.32 -0.10 0.20 -0.65 0.00 0.00 175.02 174.76 3is2 s GLY 180 N 0.12 1.64 -0.28 2.11 0.00 -0.13 -1.21 107.32 109.56 3is2 s GLY 180 Ca -0.02 -0.93 -0.00 0.00 0.00 0.00 0.00 44.72 43.76 3is2 s GLY 180 CO 0.03 -0.71 -0.04 -1.36 0.00 0.00 0.00 173.10 171.02 3is2 s PHE 181 N -0.79 3.24 -0.17 1.90 0.08 0.54 -1.50 117.98 121.28 3is2 s PHE 181 Ca 0.12 -1.97 -0.09 0.00 0.12 0.00 0.00 56.93 55.12 3is2 s PHE 181 Cb -0.11 -2.05 -0.05 0.00 -0.57 0.00 0.00 43.02 40.25 3is2 s PHE 181 CO 0.01 -0.82 0.13 -0.65 -0.10 0.00 0.00 175.22 173.79 3is2 s GLN 182 N 1.22 3.89 -0.04 0.44 1.11 0.27 -1.76 119.66 124.79 3is2 s GLN 182 Ca -0.06 -0.19 0.01 0.00 0.01 0.00 0.00 55.36 55.13 3is2 s GLN 182 Cb -0.19 -3.32 0.02 0.00 -1.01 0.00 0.00 33.01 28.51 3is2 s GLN 182 CO -0.03 0.48 -0.03 0.00 0.01 0.00 0.00 175.29 175.73