#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i82 n ALA 3 N 0.00 0.03 -0.79 3.55 0.00 -1.23 -1.71 120.51 120.36 3i82 n ALA 3 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3i82 n ALA 3 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.40 3i82 n ALA 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i82 n LEU 4 N 0.64 0.52 -4.78 0.00 4.77 0.73 -4.93 117.00 113.95 3i82 n LEU 4 Ca 0.10 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.71 3i82 n LEU 4 Cb 0.38 -0.93 -0.03 0.00 -2.33 0.00 0.00 43.42 40.51 3i82 n LEU 4 CO 0.57 -0.31 0.76 -1.81 -1.33 0.00 0.00 177.39 175.27 3i82 s ASP 5 N -2.39 6.65 0.27 -1.43 1.01 -0.69 -4.72 116.67 115.37 3i82 s ASP 5 Ca 0.00 2.10 -0.30 0.00 0.71 0.00 0.00 52.55 55.07 3i82 s ASP 5 Cb 0.00 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.25 3i82 s ASP 5 CO 0.00 -0.57 1.09 -0.76 0.21 0.00 0.00 175.17 175.14 3i82 s LEU 6 N -2.68 4.55 -0.23 1.23 1.43 -1.26 -1.91 118.68 119.82 3i82 s LEU 6 Ca 0.58 2.23 -0.17 0.00 -1.03 0.00 0.00 54.13 55.74 3i82 s LEU 6 Cb -0.24 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.33 3i82 s LEU 6 CO 0.30 -0.13 0.45 -0.63 0.23 0.00 0.00 176.35 176.57 3i82 s ILE 7 N -1.06 5.15 -0.37 -0.59 1.01 -0.24 -4.93 121.20 120.16 3i82 s ILE 7 Ca 0.45 0.78 -0.19 0.00 0.00 0.00 0.00 60.65 61.69 3i82 s ILE 7 Cb -0.31 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.39 3i82 s ILE 7 CO 0.40 0.18 0.54 -0.13 0.00 0.00 0.00 174.94 175.93 3i82 s ARG 8 N 1.72 3.52 0.66 2.79 1.81 -1.26 -4.26 118.95 123.93 3i82 s ARG 8 Ca 0.20 -0.22 -0.09 0.00 -1.72 0.00 0.00 55.73 53.90 3i82 s ARG 8 Cb -0.15 -3.85 0.02 0.00 -0.45 0.00 0.00 34.95 30.52 3i82 s ARG 8 CO 0.09 -0.74 1.01 -1.25 -0.68 0.00 0.00 175.30 173.73 3i82 s PRO 9 N 2.48 2.84 0.02 3.54 0.04 -1.26 -5.09 135.00 137.57 3i82 s PRO 9 Ca 0.19 0.21 -0.00 0.00 0.04 0.00 0.00 61.00 61.45 3i82 s PRO 9 Cb -0.15 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 3i82 s PRO 9 CO 0.14 -0.91 -0.03 -1.54 0.04 0.00 0.00 177.00 174.71 3i82 s SER 10 N -4.35 0.25 0.06 6.66 1.04 -1.26 -4.50 113.70 111.60 3i82 s SER 10 Ca 0.56 -0.52 -0.30 0.00 0.48 0.00 0.00 55.95 56.17 3i82 s SER 10 Cb -0.11 0.11 -0.05 0.00 0.10 0.00 0.00 66.02 66.07 3i82 s SER 10 CO 0.48 -0.32 1.07 -0.69 0.98 0.00 0.00 173.24 174.76 3i82 s VAL 11 N -1.58 4.42 -0.09 5.02 1.01 -1.26 -2.13 120.40 125.78 3i82 s VAL 11 Ca -0.15 1.80 0.17 0.00 0.00 0.00 0.00 61.98 63.80 3i82 s VAL 11 Cb -0.09 -4.15 -0.25 0.00 0.00 0.00 0.00 36.38 31.89 3i82 s VAL 11 CO -0.01 0.18 0.23 0.35 0.00 0.00 0.00 175.10 175.85 3i82 n THR 12 N 3.58 0.57 -3.52 3.92 -2.24 0.61 -4.95 114.28 112.25 3i82 n THR 12 Ca 0.06 -0.57 -0.17 0.00 -2.27 0.00 0.00 64.05 61.11 3i82 n THR 12 Cb 0.49 -0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.43 3i82 n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i82 s ALA 13 N -2.85 -1.77 -0.18 6.98 0.00 -1.05 -4.56 121.76 118.33 3i82 s ALA 13 Ca -0.08 1.28 -0.25 0.00 0.00 0.00 0.00 51.96 52.91 3i82 s ALA 13 Cb 0.08 0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.29 3i82 s ALA 13 CO 0.73 -0.40 0.65 1.41 0.00 0.00 0.00 175.76 178.15 3i82 s MET 14 N -1.38 0.85 0.07 0.00 0.00 -1.26 -1.01 119.30 116.57 3i82 s MET 14 Ca -0.09 0.66 -0.22 0.00 0.00 0.00 0.00 55.69 56.04 3i82 s MET 14 Cb -0.00 0.41 0.05 0.00 0.00 0.00 0.00 34.83 35.29 3i82 s MET 14 CO 0.08 -0.17 0.51 1.03 0.00 0.00 0.00 175.02 176.47 3i82 s ARG 15 N -0.20 1.06 -0.09 4.11 1.81 -0.48 -5.02 118.95 120.14 3i82 s ARG 15 Ca -0.04 -0.31 0.03 0.00 -1.72 0.00 0.00 55.73 53.69 3i82 s ARG 15 Cb -0.03 0.48 0.00 0.00 -0.45 0.00 0.00 34.95 34.95 3i82 s ARG 15 CO 0.04 -0.39 -0.21 0.08 -0.68 0.00 0.00 175.30 174.14 3i82 s VAL 16 N -2.71 1.82 -0.45 3.52 1.01 -1.26 -0.61 120.40 121.72 3i82 s VAL 16 Ca -0.04 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 60.93 3i82 s VAL 16 Cb -0.00 -1.59 0.08 0.00 0.00 0.00 0.00 36.38 34.86 3i82 s VAL 16 CO -0.04 0.51 0.35 -0.63 0.00 0.00 0.00 175.10 175.28 3i82 s ILE 17 N 0.45 4.85 0.28 2.22 1.01 0.43 -4.96 121.20 125.48 3i82 s ILE 17 Ca -0.17 -1.20 -0.03 0.00 0.00 0.00 0.00 60.65 59.25 3i82 s ILE 17 Cb -0.17 -3.93 0.24 0.00 0.01 0.00 0.00 42.46 38.61 3i82 s ILE 17 CO 0.07 -0.56 1.94 0.00 0.00 0.00 0.00 174.94 176.39 3i82 h ALA 18 N 8.62 1.35 -2.53 9.38 0.00 -1.90 -0.72 119.26 133.46 3i82 h ALA 18 Ca -0.26 -0.08 -0.42 0.00 0.00 0.00 0.00 54.91 54.14 3i82 h ALA 18 Cb 1.10 -0.33 -0.37 0.00 0.00 0.00 0.00 17.79 18.19 3i82 h ALA 18 CO 0.84 0.57 -0.70 0.45 0.00 0.00 0.00 179.25 180.41 3i82 s SER 19 N -6.30 2.47 0.31 0.00 0.15 -1.26 -4.25 113.70 104.83 3i82 s SER 19 Ca -0.12 -0.90 -0.29 0.00 0.70 0.00 0.00 55.95 55.34 3i82 s SER 19 Cb 0.17 0.08 -0.10 0.00 -1.71 0.00 0.00 66.02 64.46 3i82 s SER 19 CO 0.80 -0.40 1.41 -0.69 1.20 0.00 0.00 173.24 175.57 3i82 s VAL 20 N 2.23 2.49 0.35 4.45 1.01 -0.33 -4.94 120.40 125.66 3i82 s VAL 20 Ca 0.08 0.46 -0.28 0.00 0.00 0.00 0.00 61.98 62.24 3i82 s VAL 20 Cb -0.15 -3.29 -0.12 0.00 0.00 0.00 0.00 36.38 32.82 3i82 s VAL 20 CO -0.30 0.09 1.39 -3.20 0.00 0.00 0.00 175.10 173.08 3i82 n ASN 21 N 1.32 3.26 0.10 3.32 2.85 -1.26 -4.83 115.26 120.02 3i82 n ASN 21 Ca 0.03 1.21 -0.13 0.00 -0.11 0.00 0.00 54.58 55.59 3i82 n ASN 21 Cb 0.40 -1.55 -0.06 0.00 1.24 0.00 0.00 39.78 39.82 3i82 n ASN 21 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3i82 h ALA 22 N 2.87 -0.44 -0.01 5.20 0.00 -1.98 0.64 119.26 125.54 3i82 h ALA 22 Ca -0.48 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.43 3i82 h ALA 22 Cb 1.26 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 3i82 h ALA 22 CO 0.64 -0.80 -0.31 0.22 0.00 0.00 0.00 179.25 179.01 3i82 h ASP 23 N -0.47 -0.92 -0.72 0.00 1.82 -2.00 -0.50 116.42 113.64 3i82 h ASP 23 Ca 0.04 0.12 0.03 0.00 -0.39 0.00 0.00 57.03 56.83 3i82 h ASP 23 Cb 0.50 0.37 -0.04 0.00 0.68 0.00 0.00 39.33 40.84 3i82 h ASP 23 CO -0.17 -0.37 0.48 0.15 -1.61 0.00 0.00 179.24 177.72 3i82 h PHE 24 N -0.45 0.85 -0.82 0.28 3.57 -1.93 -1.66 116.94 116.78 3i82 h PHE 24 Ca 0.06 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 3i82 h PHE 24 Cb 0.54 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 3i82 h PHE 24 CO -0.34 0.50 0.39 0.00 -2.23 0.00 0.00 178.31 176.62 3i82 h ALA 25 N 1.58 1.05 -0.14 2.41 0.00 0.25 -0.22 119.26 124.19 3i82 h ALA 25 Ca 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3i82 h ALA 25 Cb 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3i82 h ALA 25 CO -0.08 0.63 0.02 0.00 0.00 0.00 0.00 179.25 179.82 3i82 h ARG 26 N 1.16 0.23 -0.35 0.00 3.08 -0.25 -0.34 114.38 117.91 3i82 h ARG 26 Ca 0.28 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.28 3i82 h ARG 26 Cb 0.13 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3i82 h ARG 26 CO -0.03 0.42 0.23 0.93 -1.07 0.00 0.00 179.97 180.44 3i82 h GLU 27 N 0.01 0.43 -0.00 0.04 4.39 -1.09 -0.40 114.58 117.96 3i82 h GLU 27 Ca 0.04 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3i82 h GLU 27 Cb 0.30 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3i82 h GLU 27 CO 0.00 0.28 -0.12 1.28 -1.16 0.00 0.00 179.01 179.29 3i82 n LEU 28 N -4.49 0.12 -3.36 1.33 4.77 -0.12 -4.94 117.00 110.32 3i82 n LEU 28 Ca 0.02 0.38 -0.20 0.00 -0.03 0.00 0.00 56.01 56.18 3i82 n LEU 28 Cb 0.09 -0.44 0.08 0.00 -2.33 0.00 0.00 43.42 40.82 3i82 n LEU 28 CO 0.35 0.03 0.18 0.29 -1.33 0.00 0.00 177.39 176.91 3i82 n LYS 29 N -1.50 -6.95 -2.45 3.23 5.02 -0.16 -4.96 118.16 110.39 3i82 n LYS 29 Ca 0.07 0.79 -0.41 0.00 -2.02 0.00 0.00 58.31 56.74 3i82 n LYS 29 Cb 0.34 -5.68 -0.04 0.00 -0.02 0.00 0.00 35.03 29.63 3i82 n LYS 29 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i82 s LEU 30 N -6.56 4.51 0.89 -0.35 1.43 -0.80 -5.02 118.68 112.79 3i82 s LEU 30 Ca 0.30 2.24 -0.10 0.00 -1.03 0.00 0.00 54.13 55.53 3i82 s LEU 30 Cb -0.13 -3.62 0.13 0.00 0.03 0.00 0.00 46.19 42.60 3i82 s LEU 30 CO 0.69 -0.22 1.12 -2.84 0.23 0.00 0.00 176.35 175.33 3i82 s PRO 31 N -0.96 1.25 0.26 1.29 0.02 -1.26 -4.89 135.00 130.70 3i82 s PRO 31 Ca 0.47 1.33 -0.03 0.00 0.02 0.00 0.00 61.00 62.80 3i82 s PRO 31 Cb -0.32 -1.77 0.42 0.00 0.02 0.00 0.00 34.50 32.85 3i82 s PRO 31 CO 0.39 -2.40 1.84 -1.00 -0.33 0.00 0.00 177.00 175.50 3i82 h PRO 32 N -1.69 0.92 0.00 5.54 0.13 -2.01 -2.20 132.00 132.68 3i82 h PRO 32 Ca -0.45 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 3i82 h PRO 32 Cb 1.26 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3i82 h PRO 32 CO 0.46 0.61 -0.31 1.12 -0.23 0.00 0.00 178.00 179.65 3i82 h HIS 33 N 0.94 0.00 -2.80 1.56 2.07 -1.97 -3.40 115.15 111.56 3i82 h HIS 33 Ca 0.42 0.00 -0.65 0.00 -2.85 0.00 0.00 60.37 57.29 3i82 h HIS 33 Cb 0.31 0.00 -0.16 0.00 2.57 0.00 0.00 27.41 30.14 3i82 h HIS 33 CO -0.03 0.31 0.41 0.42 -3.07 0.00 0.00 177.93 175.96 3i82 s ILE 34 N -4.24 4.49 0.00 6.12 1.01 -0.83 -4.12 121.20 123.63 3i82 s ILE 34 Ca -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.15 3i82 s ILE 34 Cb 0.14 -4.60 0.00 0.00 0.01 0.00 0.00 42.46 38.01 3i82 s ILE 34 CO 0.70 -1.31 0.57 0.54 0.00 0.00 0.00 174.94 175.44 3i82 n ARG 35 N 7.25 0.45 -4.74 2.79 5.12 -1.04 -4.54 116.66 121.96 3i82 n ARG 35 Ca -0.05 -0.71 -0.33 0.00 -1.93 0.00 0.00 57.85 54.83 3i82 n ARG 35 Cb 0.45 -0.86 -0.12 0.00 -1.16 0.00 0.00 32.46 30.76 3i82 n ARG 35 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3i82 s SER 36 N -0.30 4.26 -0.03 0.55 0.01 -0.78 -1.18 113.70 116.22 3i82 s SER 36 Ca 0.00 -0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.09 3i82 s SER 36 Cb 0.00 -0.94 0.03 0.00 0.21 0.00 0.00 66.02 65.32 3i82 s SER 36 CO 0.00 0.33 0.03 -0.22 0.41 0.00 0.00 173.24 173.79 3i82 s LEU 37 N -0.92 0.77 -0.21 2.44 2.96 -0.28 -1.20 118.68 122.23 3i82 s LEU 37 Ca 0.13 0.02 -0.08 0.00 -0.22 0.00 0.00 54.13 53.98 3i82 s LEU 37 Cb -0.11 -0.17 -0.04 0.00 0.50 0.00 0.00 46.19 46.37 3i82 s LEU 37 CO 0.02 -0.16 0.07 -0.83 -1.32 0.00 0.00 176.35 174.13 3i82 s GLY 38 N 1.48 1.86 -0.11 7.98 0.00 0.42 -0.43 107.32 118.52 3i82 s GLY 38 Ca -0.04 -0.90 -0.02 0.00 0.00 0.00 0.00 44.72 43.76 3i82 s GLY 38 CO -0.03 0.26 -0.02 1.08 0.00 0.00 0.00 173.10 174.39 3i82 s LEU 39 N 0.88 3.42 -0.12 0.66 1.43 0.22 -0.65 118.68 124.53 3i82 s LEU 39 Ca 0.04 0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.05 3i82 s LEU 39 Cb -0.14 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.32 3i82 s LEU 39 CO 0.03 0.29 0.32 -0.51 0.23 0.00 0.00 176.35 176.71 3i82 s ILE 40 N -0.38 -0.00 0.01 -0.59 2.07 -0.51 -1.39 121.20 120.41 3i82 s ILE 40 Ca 0.07 0.01 0.06 0.00 -1.41 0.00 0.00 60.65 59.38 3i82 s ILE 40 Cb -0.12 -0.46 -0.02 0.00 0.13 0.00 0.00 42.46 41.99 3i82 s ILE 40 CO 0.02 0.00 -0.18 -0.94 -1.91 0.00 0.00 174.94 171.93 3i82 s SER 41 N 0.26 2.16 0.17 4.50 1.04 -0.18 -0.98 113.70 120.67 3i82 s SER 41 Ca -0.01 -0.41 -0.01 0.00 0.48 0.00 0.00 55.95 56.01 3i82 s SER 41 Cb -0.03 -0.21 -0.04 0.00 0.10 0.00 0.00 66.02 65.84 3i82 s SER 41 CO -0.00 0.18 0.09 0.00 0.98 0.00 0.00 173.24 174.48 3i82 s ALA 42 N -0.60 1.06 -2.15 5.32 0.00 -1.21 -0.29 121.76 123.89 3i82 s ALA 42 Ca 0.06 -1.60 0.19 0.00 0.00 0.00 0.00 51.96 50.61 3i82 s ALA 42 Cb -0.08 1.12 0.82 0.00 0.00 0.00 0.00 23.12 24.98 3i82 s ALA 42 CO 0.00 -0.53 1.56 -0.40 0.00 0.00 0.00 175.76 176.40 3i82 n ASP 43 N -0.20 1.03 -3.65 0.00 5.68 -0.91 -1.00 116.55 117.51 3i82 n ASP 43 Ca -0.02 -1.64 -0.26 0.00 -0.50 0.00 0.00 54.79 52.38 3i82 n ASP 43 Cb 0.65 -0.07 -0.17 0.00 -1.14 0.00 0.00 41.12 40.39 3i82 n ASP 43 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3i82 s SER 44 N -1.51 2.34 -0.00 -1.12 0.15 -1.26 -4.41 113.70 107.88 3i82 s SER 44 Ca 0.29 -0.58 -0.25 0.00 0.70 0.00 0.00 55.95 56.10 3i82 s SER 44 Cb 0.15 -0.31 -0.18 0.00 -1.71 0.00 0.00 66.02 63.96 3i82 s SER 44 CO 0.23 -0.33 1.30 -2.24 1.20 0.00 0.00 173.24 173.40 3i82 h ASP 45 N 8.38 -0.10 -0.47 5.45 2.03 -1.84 -2.42 116.42 127.45 3i82 h ASP 45 Ca -0.15 -0.34 -0.08 0.00 -0.73 0.00 0.00 57.03 55.73 3i82 h ASP 45 Cb 1.14 0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 39.65 3i82 h ASP 45 CO 0.29 0.30 -0.01 0.44 -1.03 0.00 0.00 179.24 179.22 3i82 h ASP 46 N -0.51 0.82 -0.74 4.15 3.32 -1.98 -0.01 116.42 121.47 3i82 h ASP 46 Ca -0.01 -0.31 0.06 0.00 0.02 0.00 0.00 57.03 56.79 3i82 h ASP 46 Cb 0.43 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.70 3i82 h ASP 46 CO 0.02 0.93 0.43 0.58 -1.72 0.00 0.00 179.24 179.49 3i82 h VAL 47 N 0.68 0.99 -0.35 -1.35 2.07 -1.87 -1.20 116.25 115.22 3i82 h VAL 47 Ca 0.13 -0.27 -0.08 0.00 0.82 0.00 0.00 66.70 67.30 3i82 h VAL 47 Cb 0.52 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3i82 h VAL 47 CO 0.03 0.14 -0.14 0.74 0.02 0.00 0.00 177.57 178.36 3i82 h THR 48 N 0.79 1.25 -0.54 2.57 2.02 -0.86 -0.98 112.91 117.15 3i82 h THR 48 Ca 0.33 -1.12 -0.08 0.00 0.77 0.00 0.00 66.41 66.31 3i82 h THR 48 Cb 0.20 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3i82 h THR 48 CO -0.19 0.37 0.01 1.88 0.37 0.00 0.00 175.52 177.97 3i82 h TYR 49 N 0.56 0.98 -0.47 3.16 0.05 -0.09 -0.81 116.97 120.36 3i82 h TYR 49 Ca 0.10 -0.15 -0.14 0.00 0.05 0.00 0.00 58.73 58.59 3i82 h TYR 49 Cb 0.56 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 3i82 h TYR 49 CO 0.02 0.88 -0.24 0.82 -1.05 0.00 0.00 178.16 178.59 3i82 h ILE 50 N 0.85 1.27 -0.64 -2.88 2.04 -0.80 -2.22 117.51 115.12 3i82 h ILE 50 Ca 0.16 -1.41 -0.04 0.00 1.00 0.00 0.00 64.86 64.57 3i82 h ILE 50 Cb 0.48 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 3i82 h ILE 50 CO 0.02 0.48 0.23 0.00 0.00 0.00 0.00 178.15 178.89 3i82 h ALA 51 N 0.87 0.84 -0.44 1.87 0.00 -0.84 -0.43 119.26 121.13 3i82 h ALA 51 Ca 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i82 h ALA 51 Cb 0.82 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3i82 h ALA 51 CO 0.07 0.48 0.26 0.00 0.00 0.00 0.00 179.25 180.06 3i82 h ALA 52 N 1.09 0.56 -0.69 0.00 0.00 -1.01 0.32 119.26 119.53 3i82 h ALA 52 Ca 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3i82 h ALA 52 Cb 0.25 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3i82 h ALA 52 CO -0.01 0.06 0.40 0.22 0.00 0.00 0.00 179.25 179.91 3i82 h ASP 53 N 0.58 0.84 -0.63 0.00 3.58 -1.15 -1.25 116.42 118.40 3i82 h ASP 53 Ca 0.16 -0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 3i82 h ASP 53 Cb 0.01 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 3i82 h ASP 53 CO -0.03 0.68 0.39 -0.08 -2.88 0.00 0.00 179.24 177.32 3i82 h GLU 54 N 0.94 0.85 -0.75 0.28 4.57 -0.57 -2.36 114.58 117.54 3i82 h GLU 54 Ca 0.25 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 3i82 h GLU 54 Cb 0.00 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.37 3i82 h GLU 54 CO -0.04 0.59 0.44 0.00 -1.18 0.00 0.00 179.01 178.82 3i82 h ALA 55 N 1.56 1.36 0.00 2.92 0.00 0.24 -1.23 119.26 124.11 3i82 h ALA 55 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3i82 h ALA 55 Cb -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.44 3i82 h ALA 55 CO -0.04 0.54 0.00 0.25 0.00 0.00 0.00 179.25 180.00 3i82 n THR 56 N -4.38 0.33 -0.10 0.00 -2.24 -0.89 -1.47 114.28 105.53 3i82 n THR 56 Ca 0.08 0.08 -0.11 0.00 -2.27 0.00 0.00 64.05 61.83 3i82 n THR 56 Cb 0.08 -0.82 -0.14 0.00 -2.10 0.00 0.00 70.33 67.34 3i82 n THR 56 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3i82 n LYS 57 N -1.18 0.83 0.00 -0.78 5.02 -0.51 -4.55 118.16 117.00 3i82 n LYS 57 Ca 0.10 0.02 0.13 0.00 -2.02 0.00 0.00 58.31 56.54 3i82 n LYS 57 Cb 0.10 -1.49 0.43 0.00 -0.02 0.00 0.00 35.03 34.05 3i82 n LYS 57 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3i82 n GLN 58 N -2.80 1.37 -3.85 1.97 1.13 -0.69 -4.96 117.38 109.55 3i82 n GLN 58 Ca -0.33 -0.84 -0.07 0.00 -1.94 0.00 0.00 57.00 53.82 3i82 n GLN 58 Cb 1.09 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 29.94 3i82 n GLN 58 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i82 s ALA 59 N -2.21 -1.24 -1.18 -1.58 0.00 -0.54 -4.78 121.76 110.23 3i82 s ALA 59 Ca 0.32 -0.28 -0.07 0.00 0.00 0.00 0.00 51.96 51.92 3i82 s ALA 59 Cb 0.20 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 24.12 3i82 s ALA 59 CO 0.41 -1.04 2.88 -1.33 0.00 0.00 0.00 175.76 176.69 3i82 n MET 60 N -0.46 3.59 -4.38 0.00 2.81 -1.26 -4.60 117.12 112.82 3i82 n MET 60 Ca -0.04 -2.40 -0.21 0.00 -1.81 0.00 0.00 57.70 53.24 3i82 n MET 60 Cb 0.59 -2.57 -0.10 0.00 -0.71 0.00 0.00 33.22 30.43 3i82 n MET 60 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3i82 s VAL 61 N 0.61 1.97 -0.00 2.03 -7.23 -1.26 -4.25 120.40 112.27 3i82 s VAL 61 Ca 0.64 -2.22 -0.07 0.00 -1.81 0.00 0.00 61.98 58.52 3i82 s VAL 61 Cb 0.22 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 35.08 3i82 s VAL 61 CO -0.08 -0.49 0.13 -1.83 -0.31 0.00 0.00 175.10 172.53 3i82 s GLU 62 N -3.46 0.44 -0.37 4.82 -1.05 -0.68 -4.48 118.70 113.92 3i82 s GLU 62 Ca 0.23 -0.32 -0.29 0.00 -0.15 0.00 0.00 54.97 54.44 3i82 s GLU 62 Cb -0.03 0.18 0.01 0.00 -0.44 0.00 0.00 34.13 33.85 3i82 s GLU 62 CO 0.09 -0.10 1.31 0.08 0.95 0.00 0.00 175.26 177.60 3i82 s VAL 63 N -1.19 4.07 0.08 1.83 1.01 -1.26 -0.51 120.40 124.43 3i82 s VAL 63 Ca -0.13 1.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.89 3i82 s VAL 63 Cb -0.07 -4.25 -0.25 0.00 0.00 0.00 0.00 36.38 31.81 3i82 s VAL 63 CO 0.01 -0.66 1.17 0.58 0.00 0.00 0.00 175.10 176.20 3i82 h VAL 64 N 6.19 1.32 -2.86 2.92 2.07 -1.07 -3.47 116.25 121.35 3i82 h VAL 64 Ca -0.26 -2.45 -0.12 0.00 0.82 0.00 0.00 66.70 64.69 3i82 h VAL 64 Cb 1.09 2.58 -0.23 0.00 -1.52 0.00 0.00 31.29 33.22 3i82 h VAL 64 CO 1.07 0.74 -0.25 -0.47 0.02 0.00 0.00 177.57 178.68 3i82 s TYR 65 N -3.10 -0.34 -0.30 1.57 5.04 -1.04 -4.99 117.35 114.19 3i82 s TYR 65 Ca -0.08 0.75 -0.02 0.00 -2.44 0.00 0.00 57.07 55.29 3i82 s TYR 65 Cb 0.07 0.14 0.18 0.00 0.35 0.00 0.00 41.96 42.70 3i82 s TYR 65 CO 0.91 -0.29 0.60 0.20 -1.34 0.00 0.00 175.55 175.64 3i82 s GLY 66 N -0.41 -0.97 -0.05 8.97 0.00 -1.26 -1.30 107.32 112.31 3i82 s GLY 66 Ca -0.05 1.86 -0.14 0.00 0.00 0.00 0.00 44.72 46.39 3i82 s GLY 66 CO 0.02 3.34 0.32 -1.60 0.00 0.00 0.00 173.10 175.19 3i82 s ARG 67 N 2.86 0.59 0.32 2.90 6.06 -1.19 -5.05 118.95 125.44 3i82 s ARG 67 Ca 0.19 0.01 0.06 0.00 -2.50 0.00 0.00 55.73 53.50 3i82 s ARG 67 Cb -0.15 0.27 -0.01 0.00 0.06 0.00 0.00 34.95 35.12 3i82 s ARG 67 CO -0.21 -0.14 0.46 -1.54 -2.50 0.00 0.00 175.30 171.36 3i82 s SER 68 N -0.87 6.03 0.06 -2.12 1.04 -1.26 -2.62 113.70 113.97 3i82 s SER 68 Ca -0.09 -0.13 -0.04 0.00 0.48 0.00 0.00 55.95 56.16 3i82 s SER 68 Cb -0.04 -1.35 -0.05 0.00 0.10 0.00 0.00 66.02 64.68 3i82 s SER 68 CO 0.03 -0.37 0.29 -0.76 0.98 0.00 0.00 173.24 173.40 3i82 s LEU 69 N -4.15 4.33 0.04 2.42 1.43 -0.44 -4.88 118.68 117.43 3i82 s LEU 69 Ca 0.43 0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 53.72 3i82 s LEU 69 Cb -0.09 -2.95 -0.08 0.00 0.03 0.00 0.00 46.19 43.10 3i82 s LEU 69 CO 0.31 0.17 1.71 -0.31 0.23 0.00 0.00 176.35 178.45 3i82 s TYR 70 N -1.47 2.16 0.00 0.29 2.02 -1.26 -2.33 117.35 116.76 3i82 s TYR 70 Ca 0.34 0.17 0.00 0.00 -0.37 0.00 0.00 57.07 57.20 3i82 s TYR 70 Cb -0.13 -4.00 0.00 0.00 -0.40 0.00 0.00 41.96 37.43 3i82 s TYR 70 CO 0.22 -4.15 0.00 0.00 -1.57 0.00 0.00 175.55 170.05 3i82 n ALA 71 N 6.19 0.00 -0.12 3.71 0.00 0.56 -4.86 120.51 125.99 3i82 n ALA 71 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.62 3i82 n ALA 71 Cb 0.41 -0.28 -0.00 0.00 0.00 0.00 0.00 19.45 19.58 3i82 n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i82 n GLY 72 N -2.04 -2.23 0.31 0.00 0.00 -0.98 -4.15 105.19 96.10 3i82 n GLY 72 Ca 0.00 -1.51 -0.03 0.00 0.00 0.00 0.00 46.02 44.48 3i82 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i82 h ALA 73 N -0.11 1.04 0.00 4.61 0.00 -1.81 -2.27 119.26 120.72 3i82 h ALA 73 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i82 h ALA 73 Cb 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3i82 h ALA 73 CO 0.00 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.63 3i82 h ALA 74 N 1.32 1.00 -0.12 0.00 0.00 -1.89 -0.78 119.26 118.78 3i82 h ALA 74 Ca 0.31 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 3i82 h ALA 74 Cb -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.58 3i82 h ALA 74 CO -0.09 0.00 -0.68 0.72 0.00 0.00 0.00 179.25 179.20 3i82 n HIS 75 N -2.57 0.44 -1.51 0.00 -0.00 -0.88 -5.07 115.22 105.63 3i82 n HIS 75 Ca -0.01 -1.44 -0.31 0.00 -0.00 0.00 0.00 57.72 55.96 3i82 n HIS 75 Cb 0.10 -0.24 0.06 0.00 -0.00 0.00 0.00 29.99 29.91 3i82 n HIS 75 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 3i82 s GLY 76 N -3.08 1.67 0.45 -1.41 0.00 -0.30 -4.85 107.32 99.80 3i82 s GLY 76 Ca 0.39 0.09 0.25 0.00 0.00 0.00 0.00 44.72 45.45 3i82 s GLY 76 CO -0.07 0.42 1.73 -0.56 0.00 0.00 0.00 173.10 174.61 3i82 h PRO 77 N -0.83 0.00 -2.45 2.90 0.13 -1.89 -3.47 132.00 126.40 3i82 h PRO 77 Ca -0.44 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.73 3i82 h PRO 77 Cb 1.22 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 3i82 h PRO 77 CO 0.56 0.10 0.36 -1.54 -0.23 0.00 0.00 178.00 177.25 3i82 s SER 78 N -6.10 -0.48 0.56 1.44 1.04 -1.26 -5.05 113.70 103.86 3i82 s SER 78 Ca 0.04 0.12 0.25 0.00 0.48 0.00 0.00 55.95 56.84 3i82 s SER 78 Cb 0.07 0.47 1.62 0.00 0.10 0.00 0.00 66.02 68.29 3i82 s SER 78 CO 0.64 -0.72 2.21 1.55 0.98 0.00 0.00 173.24 177.90 3i82 h PRO 79 N 2.17 0.00 0.00 4.02 0.13 -1.97 -1.59 132.00 134.76 3i82 h PRO 79 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3i82 h PRO 79 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3i82 h PRO 79 CO 0.34 0.01 0.00 1.79 -0.23 0.00 0.00 178.00 179.91 3i82 h THR 80 N 0.00 0.00 -0.10 1.56 1.35 -1.97 -3.31 112.91 110.44 3i82 h THR 80 Ca -0.00 -0.82 -0.22 0.00 -0.55 0.00 0.00 66.41 64.82 3i82 h THR 80 Cb 0.02 1.82 0.01 0.00 -1.73 0.00 0.00 68.15 68.27 3i82 h THR 80 CO 0.00 0.00 -0.82 0.00 -0.25 0.00 0.00 175.52 174.46 3i82 h ALA 81 N 2.02 0.37 -0.85 6.62 0.00 -1.62 -3.36 119.26 122.44 3i82 h ALA 81 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3i82 h ALA 81 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3i82 h ALA 81 CO 0.00 0.72 0.00 0.41 0.00 0.00 0.00 179.25 180.38 3i82 n GLY 82 N 0.73 3.47 0.46 0.00 0.00 -1.24 -3.42 105.19 105.19 3i82 n GLY 82 Ca -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3i82 n GLY 82 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i82 n GLU 83 N 14.00 0.00 -3.61 1.61 0.28 -0.17 -4.04 120.64 128.70 3i82 n GLU 83 Ca 0.00 -0.91 -0.14 0.00 -0.16 0.00 0.00 57.16 55.94 3i82 n GLU 83 Cb 0.00 -0.47 -0.06 0.00 1.43 0.00 0.00 31.44 32.33 3i82 n GLU 83 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 3i82 s VAL 84 N 0.00 0.03 -0.05 3.84 -7.23 -1.21 -1.33 120.40 114.46 3i82 s VAL 84 Ca 0.00 -0.28 -0.00 0.00 -1.81 0.00 0.00 61.98 59.88 3i82 s VAL 84 Cb 0.00 -0.92 0.03 0.00 0.56 0.00 0.00 36.38 36.05 3i82 s VAL 84 CO 0.00 -0.15 -0.00 -0.22 -0.31 0.00 0.00 175.10 174.42 3i82 s LEU 85 N -1.74 0.85 -0.09 1.32 2.96 -1.08 -3.30 118.68 117.59 3i82 s LEU 85 Ca -0.08 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 3i82 s LEU 85 Cb -0.01 -0.34 -0.02 0.00 0.50 0.00 0.00 46.19 46.32 3i82 s LEU 85 CO 0.01 -0.15 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.13 3i82 s ILE 86 N 1.51 3.06 -0.27 6.68 -1.09 -0.15 -3.17 121.20 127.77 3i82 s ILE 86 Ca -0.02 -0.69 0.01 0.00 -2.23 0.00 0.00 60.65 57.71 3i82 s ILE 86 Cb -0.13 -2.24 0.05 0.00 -1.58 0.00 0.00 42.46 38.56 3i82 s ILE 86 CO -0.03 0.56 -0.07 -0.04 -1.23 0.00 0.00 174.94 174.13 3i82 s MET 87 N -0.20 2.44 -0.11 2.79 -1.94 -0.42 -1.42 119.30 120.44 3i82 s MET 87 Ca 0.00 -1.23 -0.15 0.00 -1.71 0.00 0.00 55.69 52.60 3i82 s MET 87 Cb -0.13 -2.99 -0.05 0.00 2.01 0.00 0.00 34.83 33.67 3i82 s MET 87 CO 0.03 -0.54 0.36 -0.51 -0.01 0.00 0.00 175.02 174.35 3i82 s LEU 88 N 1.20 4.31 -0.08 -0.03 1.43 0.18 -0.41 118.68 125.28 3i82 s LEU 88 Ca -0.06 0.69 -0.01 0.00 -1.03 0.00 0.00 54.13 53.72 3i82 s LEU 88 Cb -0.19 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 3i82 s LEU 88 CO -0.04 0.14 -0.02 -0.83 0.23 0.00 0.00 176.35 175.83 3i82 s GLY 89 N 0.06 1.80 0.19 -3.19 0.00 0.34 -0.44 107.32 106.07 3i82 s GLY 89 Ca 0.20 -0.84 -0.05 0.00 0.00 0.00 0.00 44.72 44.03 3i82 s GLY 89 CO 0.08 -0.61 0.22 -0.32 0.00 0.00 0.00 173.10 172.47 3i82 s GLY 90 N -0.87 0.92 0.43 0.20 0.00 -0.34 -1.68 107.32 105.97 3i82 s GLY 90 Ca 0.13 -1.28 0.24 0.00 0.00 0.00 0.00 44.72 43.81 3i82 s GLY 90 CO 0.02 -1.09 1.68 -0.56 0.00 0.00 0.00 173.10 173.15 3i82 h PRO 91 N 2.58 0.00 -3.09 2.90 0.13 -1.74 -2.01 132.00 130.77 3i82 h PRO 91 Ca -0.33 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 3i82 h PRO 91 Cb 1.23 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.25 3i82 h PRO 91 CO 0.50 0.12 0.15 0.54 -0.23 0.00 0.00 178.00 179.07 3i82 s ASN 92 N -6.15 -0.48 0.49 1.44 2.20 -1.26 -4.65 114.94 106.54 3i82 s ASN 92 Ca 0.05 -0.12 0.18 0.00 -0.94 0.00 0.00 52.86 52.03 3i82 s ASN 92 Cb 0.07 0.58 1.22 0.00 -2.00 0.00 0.00 41.25 41.13 3i82 s ASN 92 CO 0.66 -0.98 2.04 -0.65 -2.94 0.00 0.00 177.10 175.22 3i82 h PRO 93 N 2.08 0.15 -0.25 3.55 0.11 -1.91 -2.52 132.00 133.21 3i82 h PRO 93 Ca -0.33 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 3i82 h PRO 93 Cb 1.29 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3i82 h PRO 93 CO 0.39 0.10 0.08 0.00 -0.21 0.00 0.00 178.00 178.35 3i82 h ALA 94 N 1.80 0.32 -0.40 -0.75 0.00 -1.99 -0.38 119.26 117.86 3i82 h ALA 94 Ca 0.19 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3i82 h ALA 94 Cb 0.54 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3i82 h ALA 94 CO -0.03 -0.05 0.12 0.93 0.00 0.00 0.00 179.25 180.22 3i82 h GLU 95 N 0.23 0.62 -0.65 0.00 4.39 -1.85 -1.44 114.58 115.89 3i82 h GLU 95 Ca 0.08 -0.14 0.05 0.00 0.34 0.00 0.00 59.36 59.70 3i82 h GLU 95 Cb 0.23 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.74 3i82 h GLU 95 CO -0.00 0.63 0.36 0.28 -1.16 0.00 0.00 179.01 179.12 3i82 h VAL 96 N 0.50 0.98 -0.34 3.13 2.07 -1.36 0.22 116.25 121.45 3i82 h VAL 96 Ca 0.13 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.32 3i82 h VAL 96 Cb 0.27 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 3i82 h VAL 96 CO -0.00 0.12 -0.19 0.03 0.02 0.00 0.00 177.57 177.55 3i82 h ARG 97 N 0.67 0.63 -0.53 1.57 3.08 -0.83 0.07 114.38 119.05 3i82 h ARG 97 Ca 0.29 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 3i82 h ARG 97 Cb 0.17 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3i82 h ARG 97 CO -0.17 0.78 0.09 0.00 -1.07 0.00 0.00 179.97 179.60 3i82 h ALA 98 N 1.23 0.70 -0.08 0.04 0.00 -0.44 0.33 119.26 121.05 3i82 h ALA 98 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3i82 h ALA 98 Cb 0.63 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3i82 h ALA 98 CO 0.04 0.43 0.05 0.78 0.00 0.00 0.00 179.25 180.55 3i82 h GLY 99 N 0.75 0.10 1.02 0.00 0.00 -0.68 -1.45 103.07 102.80 3i82 h GLY 99 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3i82 h GLY 99 CO 0.01 0.04 0.62 1.41 0.00 0.00 0.00 176.54 178.61 3i82 h LEU 100 N 0.10 1.14 -0.80 3.11 3.38 -0.78 -0.33 115.31 121.12 3i82 h LEU 100 Ca 0.03 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3i82 h LEU 100 Cb -0.01 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 3i82 h LEU 100 CO -0.01 0.85 0.53 0.44 0.09 0.00 0.00 178.44 180.34 3i82 h ASP 101 N 1.33 0.90 -0.31 -0.43 3.32 -0.54 0.24 116.42 120.92 3i82 h ASP 101 Ca 0.35 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.30 3i82 h ASP 101 Cb -0.11 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 3i82 h ASP 101 CO -0.07 0.64 -0.10 0.00 -1.72 0.00 0.00 179.24 177.98 3i82 h ALA 102 N 1.31 1.04 -0.39 3.45 0.00 -0.50 -2.03 119.26 122.13 3i82 h ALA 102 Ca 0.30 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3i82 h ALA 102 Cb -0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3i82 h ALA 102 CO -0.08 0.58 0.03 0.52 0.00 0.00 0.00 179.25 180.30 3i82 h MET 103 N 0.67 0.67 0.32 0.00 2.86 -0.15 -1.89 114.93 117.42 3i82 h MET 103 Ca 0.12 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3i82 h MET 103 Cb 0.57 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 3i82 h MET 103 CO 0.04 0.75 -0.17 0.82 1.06 0.00 0.00 176.91 179.40 3i82 h ILE 104 N 0.51 0.64 -0.75 -1.22 2.04 -0.82 -0.23 117.51 117.69 3i82 h ILE 104 Ca 0.11 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.09 3i82 h ILE 104 Cb 0.43 0.64 -0.08 0.00 -0.74 0.00 0.00 36.82 37.07 3i82 h ILE 104 CO 0.01 0.00 0.36 0.00 0.00 0.00 0.00 178.15 178.52 3i82 h ALA 105 N 0.22 1.05 0.00 1.87 0.00 -1.31 -0.66 119.26 120.43 3i82 h ALA 105 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i82 h ALA 105 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3i82 h ALA 105 CO 0.05 -0.08 0.00 0.45 0.00 0.00 0.00 179.25 179.67 3i82 h HIS 106 N 0.58 0.00 0.09 0.00 3.86 -1.14 0.06 115.15 118.59 3i82 h HIS 106 Ca 0.38 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 59.30 3i82 h HIS 106 Cb 0.47 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 3i82 h HIS 106 CO -0.12 0.00 -1.48 0.82 0.86 0.00 0.00 177.93 178.02 3i82 h ILE 107 N 0.00 1.20 0.16 2.45 2.04 -0.11 -3.06 117.51 120.19 3i82 h ILE 107 Ca 0.00 -2.87 -0.35 0.00 1.00 0.00 0.00 64.86 62.64 3i82 h ILE 107 Cb 0.79 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.60 3i82 h ILE 107 CO 0.00 0.80 -1.78 -0.33 0.00 0.00 0.00 178.15 176.84 3i82 h GLU 108 N 0.05 0.34 -2.00 2.37 5.08 -1.13 -3.38 114.58 115.90 3i82 h GLU 108 Ca -0.21 -0.58 -0.52 0.00 -1.00 0.00 0.00 59.36 57.05 3i82 h GLU 108 Cb 1.98 0.22 -0.41 0.00 0.50 0.00 0.00 28.75 31.04 3i82 h GLU 108 CO 0.15 1.25 -0.97 0.09 -1.00 0.00 0.00 179.01 178.53 3i82 n ASN 109 N -3.54 2.45 0.00 1.42 3.02 0.00 -4.81 115.26 113.81 3i82 n ASN 109 Ca -0.25 -3.28 0.00 0.00 -0.03 0.00 0.00 54.58 51.02 3i82 n ASN 109 Cb 1.07 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 3i82 n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i82 n GLY 110 N 0.02 4.13 3.75 7.41 0.00 -1.15 -4.70 105.19 114.63 3i82 n GLY 110 Ca 0.27 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3i82 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i82 s ALA 111 N -1.65 3.71 -0.10 4.61 0.00 -1.25 -4.99 121.76 122.09 3i82 s ALA 111 Ca 0.00 1.47 -0.07 0.00 0.00 0.00 0.00 51.96 53.35 3i82 s ALA 111 Cb 0.00 -3.61 0.03 0.00 0.00 0.00 0.00 23.12 19.54 3i82 s ALA 111 CO 0.00 -0.88 0.24 0.00 0.00 0.00 0.00 175.76 175.13 3i82 s ALA 112 N 0.10 -0.59 0.92 0.00 0.00 -1.26 -4.80 121.76 116.14 3i82 s ALA 112 Ca 0.62 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 53.28 3i82 s ALA 112 Cb -0.45 -0.49 0.15 0.00 0.00 0.00 0.00 23.12 22.33 3i82 s ALA 112 CO 0.45 -0.15 1.11 -0.06 0.00 0.00 0.00 175.76 177.11 3i82 s PHE 113 N 0.55 1.89 0.07 0.00 0.40 -1.26 -4.81 117.98 114.83 3i82 s PHE 113 Ca -0.03 1.56 0.04 0.00 -0.60 0.00 0.00 56.93 57.90 3i82 s PHE 113 Cb -0.05 -3.21 -0.03 0.00 0.51 0.00 0.00 43.02 40.24 3i82 s PHE 113 CO -0.03 -2.70 -0.12 -0.65 0.70 0.00 0.00 175.22 172.42 3i82 s GLN 114 N -4.72 0.77 0.14 0.44 -0.21 0.44 -1.08 119.66 115.44 3i82 s GLN 114 Ca 0.65 -0.96 -0.30 0.00 0.02 0.00 0.00 55.36 54.77 3i82 s GLN 114 Cb -0.21 -0.67 -0.07 0.00 1.00 0.00 0.00 33.01 33.05 3i82 s GLN 114 CO 0.58 0.14 1.25 -1.58 -2.12 0.00 0.00 175.29 173.56 3i82 s TRP 115 N -1.53 3.37 -0.32 0.91 0.52 -0.80 -1.36 118.94 119.72 3i82 s TRP 115 Ca -0.02 1.27 0.20 0.00 0.02 0.00 0.00 56.10 57.57 3i82 s TRP 115 Cb -0.09 -3.50 0.20 0.00 -1.15 0.00 0.00 33.47 28.94 3i82 s TRP 115 CO 0.02 -1.55 1.47 0.00 0.02 0.00 0.00 176.95 176.91 3i82 h ALA 116 N 6.03 0.84 -2.40 0.98 0.00 -0.89 0.21 119.26 124.02 3i82 h ALA 116 Ca -0.43 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.15 3i82 h ALA 116 Cb 1.21 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.84 3i82 h ALA 116 CO 0.79 0.23 -0.62 0.54 0.00 0.00 0.00 179.25 180.19 3i82 s ASN 117 N -6.18 0.33 0.36 0.00 2.20 -1.26 -4.65 114.94 105.74 3i82 s ASN 117 Ca 0.05 -1.10 0.09 0.00 -0.94 0.00 0.00 52.86 50.96 3i82 s ASN 117 Cb 0.06 0.28 0.68 0.00 -2.00 0.00 0.00 41.25 40.27 3i82 s ASN 117 CO 0.71 -0.71 1.84 0.44 -2.94 0.00 0.00 177.10 176.45 3i82 h ASP 118 N 2.92 0.20 0.09 3.54 3.32 -1.91 -1.77 116.42 122.81 3i82 h ASP 118 Ca -0.34 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 3i82 h ASP 118 Cb 1.18 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 3i82 h ASP 118 CO 0.60 0.46 -0.03 0.00 -1.72 0.00 0.00 179.24 178.54 3i82 h ALA 119 N 1.56 1.47 -5.54 3.45 0.00 -1.96 -3.42 119.26 114.83 3i82 h ALA 119 Ca 0.03 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 3i82 h ALA 119 Cb 0.54 -0.01 0.16 0.00 0.00 0.00 0.00 17.79 18.48 3i82 h ALA 119 CO 0.04 0.04 -0.72 1.04 0.00 0.00 0.00 179.25 179.65 3i82 n GLN 120 N -3.81 -6.68 0.00 0.00 6.02 -0.67 -4.91 117.38 107.33 3i82 n GLN 120 Ca -0.03 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 57.78 3i82 n GLN 120 Cb 0.12 -5.74 0.00 0.00 1.02 0.00 0.00 30.24 25.65 3i82 n GLN 120 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3i82 n ASP 121 N -2.99 0.90 -4.02 1.08 5.68 -1.26 -5.01 116.55 110.92 3i82 n ASP 121 Ca -0.21 -0.95 -0.23 0.00 -0.50 0.00 0.00 54.79 52.90 3i82 n ASP 121 Cb 0.64 0.15 -0.16 0.00 -1.14 0.00 0.00 41.12 40.60 3i82 n ASP 121 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3i82 s THR 122 N -0.19 1.01 0.11 2.12 2.01 -1.26 -5.08 115.64 114.36 3i82 s THR 122 Ca 0.01 -0.45 0.05 0.00 0.31 0.00 0.00 61.69 61.61 3i82 s THR 122 Cb 0.00 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 3i82 s THR 122 CO 0.01 0.32 -0.13 0.00 -0.69 0.00 0.00 174.62 174.12 3i82 s ALA 123 N 0.43 1.36 0.18 7.40 0.00 -1.26 -0.16 121.76 129.71 3i82 s ALA 123 Ca -0.09 -1.23 -0.10 0.00 0.00 0.00 0.00 51.96 50.54 3i82 s ALA 123 Cb -0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 3i82 s ALA 123 CO 0.02 0.08 0.33 -0.59 0.00 0.00 0.00 175.76 175.60 3i82 s PHE 124 N -2.09 0.38 -0.06 0.00 -0.71 -0.47 -4.41 117.98 110.62 3i82 s PHE 124 Ca 0.07 -0.73 0.00 0.00 -1.04 0.00 0.00 56.93 55.22 3i82 s PHE 124 Cb -0.05 -0.00 0.02 0.00 -1.21 0.00 0.00 43.02 41.78 3i82 s PHE 124 CO 0.02 -0.78 -0.03 -1.17 -1.34 0.00 0.00 175.22 171.93 3i82 s LEU 125 N -2.98 1.07 -0.35 -1.99 2.96 0.24 -0.42 118.68 117.22 3i82 s LEU 125 Ca 0.18 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.97 3i82 s LEU 125 Cb 0.02 -0.46 0.12 0.00 0.50 0.00 0.00 46.19 46.37 3i82 s LEU 125 CO 0.02 -0.10 0.17 0.00 -1.32 0.00 0.00 176.35 175.11 3i82 s ALA 126 N 1.31 1.26 -0.04 5.97 0.00 -1.25 -0.45 121.76 128.56 3i82 s ALA 126 Ca -0.05 -1.80 0.03 0.00 0.00 0.00 0.00 51.96 50.14 3i82 s ALA 126 Cb -0.14 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.37 3i82 s ALA 126 CO -0.02 -1.89 -0.12 -1.58 0.00 0.00 0.00 175.76 172.15 3i82 s HIS 127 N 1.28 1.29 -0.28 0.00 5.04 -0.60 -4.96 115.29 117.06 3i82 s HIS 127 Ca 0.14 -0.39 -0.21 0.00 -1.54 0.00 0.00 55.06 53.06 3i82 s HIS 127 Cb -0.20 -0.92 -0.01 0.00 0.04 0.00 0.00 32.58 31.48 3i82 s HIS 127 CO -0.14 -0.17 0.65 0.08 -2.34 0.00 0.00 174.74 172.82 3i82 s VAL 128 N 0.32 4.94 -0.59 0.89 1.01 -1.26 -0.61 120.40 125.10 3i82 s VAL 128 Ca -0.07 1.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.75 3i82 s VAL 128 Cb -0.12 -3.99 0.08 0.00 0.00 0.00 0.00 36.38 32.36 3i82 s VAL 128 CO 0.02 -0.07 0.78 -0.69 0.00 0.00 0.00 175.10 175.13 3i82 s VAL 129 N 2.60 4.67 0.33 2.92 1.01 0.20 -4.92 120.40 127.21 3i82 s VAL 129 Ca 0.27 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.62 3i82 s VAL 129 Cb -0.15 -4.51 0.14 0.00 0.00 0.00 0.00 36.38 31.85 3i82 s VAL 129 CO 0.10 -1.16 1.84 0.77 0.00 0.00 0.00 175.10 176.65 3i82 h SER 130 N 9.27 0.48 -2.98 3.32 4.64 -1.90 -0.85 113.55 125.52 3i82 h SER 130 Ca -0.29 -0.10 -0.54 0.00 -0.47 0.00 0.00 61.79 60.39 3i82 h SER 130 Cb 1.08 -0.13 -0.40 0.00 -0.31 0.00 0.00 62.40 62.65 3i82 h SER 130 CO 1.10 0.59 -0.77 -0.60 -0.87 0.00 0.00 176.83 176.28 3i82 s ARG 131 N -4.86 0.39 0.36 4.77 3.52 -1.26 -3.40 118.95 118.47 3i82 s ARG 131 Ca -0.07 -0.63 -0.26 0.00 -0.13 0.00 0.00 55.73 54.64 3i82 s ARG 131 Cb 0.15 -1.59 -0.09 0.00 -1.56 0.00 0.00 34.95 31.86 3i82 s ARG 131 CO 0.77 -0.93 1.11 0.95 -0.81 0.00 0.00 175.30 176.39 3i82 s THR 132 N 1.93 3.46 0.00 4.11 -4.23 -0.49 -4.87 115.64 115.54 3i82 s THR 132 Ca 0.07 1.26 0.00 0.00 -1.18 0.00 0.00 61.69 61.84 3i82 s THR 132 Cb -0.16 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 69.95 3i82 s THR 132 CO -0.27 0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 3i82 n GLY 133 N 0.71 1.22 0.33 3.99 0.00 -1.26 -1.00 105.19 109.18 3i82 n GLY 133 Ca 0.03 -1.96 -0.04 0.00 0.00 0.00 0.00 46.02 44.04 3i82 n GLY 133 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i82 h SER 134 N 0.00 0.97 0.64 1.61 4.64 -1.84 -2.66 113.55 116.91 3i82 h SER 134 Ca 0.00 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.13 3i82 h SER 134 Cb 0.00 -0.25 0.01 0.00 -0.31 0.00 0.00 62.40 61.84 3i82 h SER 134 CO 0.00 0.88 -0.31 0.22 -0.87 0.00 0.00 176.83 176.76 3i82 h TYR 135 N 1.03 -0.80 -0.31 4.77 3.20 -1.92 -1.00 116.97 121.93 3i82 h TYR 135 Ca 0.23 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 3i82 h TYR 135 Cb 0.23 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 3i82 h TYR 135 CO 0.02 -0.49 0.04 -0.07 -1.64 0.00 0.00 178.16 176.02 3i82 h LEU 136 N -0.91 0.43 0.00 2.82 3.38 -1.91 -1.28 115.31 117.84 3i82 h LEU 136 Ca -0.09 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3i82 h LEU 136 Cb 0.66 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3i82 h LEU 136 CO 0.14 0.46 0.00 -1.54 0.09 0.00 0.00 178.44 177.60 3i82 n SER 137 N -4.33 0.00 0.08 -0.43 3.41 -1.00 -2.26 113.62 109.09 3i82 n SER 137 Ca 0.01 -0.57 -0.04 0.00 -0.26 0.00 0.00 58.87 58.02 3i82 n SER 137 Cb 0.20 -0.09 0.18 0.00 -0.26 0.00 0.00 64.21 64.24 3i82 n SER 137 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3i82 h SER 138 N 0.00 0.29 -3.12 4.04 0.02 0.06 -3.43 113.55 111.42 3i82 h SER 138 Ca 0.00 -0.14 -0.53 0.00 -0.84 0.00 0.00 61.79 60.29 3i82 h SER 138 Cb 0.07 -0.08 0.06 0.00 0.14 0.00 0.00 62.40 62.58 3i82 h SER 138 CO 0.00 0.72 0.84 -0.89 -1.14 0.00 0.00 176.83 176.36 3i82 s THR 139 N -4.03 2.52 -0.07 -2.27 2.01 -0.96 -4.90 115.64 107.94 3i82 s THR 139 Ca -0.05 0.41 -0.33 0.00 0.31 0.00 0.00 61.69 62.03 3i82 s THR 139 Cb 0.13 -3.26 -0.11 0.00 0.01 0.00 0.00 72.50 69.27 3i82 s THR 139 CO 0.79 0.05 1.92 0.00 -0.69 0.00 0.00 174.62 176.69 3i82 n ALA 140 N 3.02 1.06 0.00 7.40 0.00 -1.26 -1.44 120.51 129.28 3i82 n ALA 140 Ca 0.10 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3i82 n ALA 140 Cb 0.39 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.28 3i82 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i82 n GLY 141 N 4.53 1.40 3.33 0.00 0.00 -1.26 -4.63 105.19 108.57 3i82 n GLY 141 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 3i82 n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i82 s ILE 142 N -2.13 3.68 -0.01 -0.61 1.01 -0.52 -4.94 121.20 117.68 3i82 s ILE 142 Ca 0.00 -0.55 -0.20 0.00 0.00 0.00 0.00 60.65 59.90 3i82 s ILE 142 Cb 0.00 -2.77 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 3i82 s ILE 142 CO 0.00 0.28 0.56 -0.89 0.00 0.00 0.00 174.94 174.89 3i82 s THR 143 N 1.49 4.95 -0.18 2.92 2.01 -1.26 -4.52 115.64 121.05 3i82 s THR 143 Ca 0.04 1.17 -0.38 0.00 0.31 0.00 0.00 61.69 62.83 3i82 s THR 143 Cb -0.16 -3.89 -0.15 0.00 0.01 0.00 0.00 72.50 68.31 3i82 s THR 143 CO -0.00 0.43 1.74 -0.11 -0.69 0.00 0.00 174.62 175.99 3i82 n LEU 144 N 2.71 2.65 0.00 4.42 -0.00 -1.26 -1.36 117.00 124.15 3i82 n LEU 144 Ca -0.08 1.05 0.00 0.00 -0.00 0.00 0.00 56.01 56.98 3i82 n LEU 144 Cb 0.51 -1.22 0.00 0.00 -0.00 0.00 0.00 43.42 42.71 3i82 n LEU 144 CO 0.43 -0.37 0.00 0.61 -0.00 0.00 0.00 177.39 178.06 3i82 n GLY 145 N 4.09 3.31 3.81 -3.96 0.00 -0.17 -4.99 105.19 107.27 3i82 n GLY 145 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 3i82 n GLY 145 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i82 s ASP 146 N -0.39 4.34 0.72 1.61 1.11 -0.47 -3.96 116.67 119.63 3i82 s ASP 146 Ca 0.00 1.20 -0.04 0.00 0.18 0.00 0.00 52.55 53.89 3i82 s ASP 146 Cb 0.00 -1.90 0.10 0.00 1.07 0.00 0.00 42.92 42.19 3i82 s ASP 146 CO 0.00 -2.05 1.00 -2.16 1.18 0.00 0.00 175.17 173.14 3i82 s PRO 147 N -5.21 1.87 -0.06 8.23 0.04 -1.22 -1.40 135.00 137.25 3i82 s PRO 147 Ca 0.61 -0.68 -0.29 0.00 0.04 0.00 0.00 61.00 60.68 3i82 s PRO 147 Cb -0.14 -2.24 0.11 0.00 0.04 0.00 0.00 34.50 32.26 3i82 s PRO 147 CO 0.54 -1.37 0.92 0.00 0.04 0.00 0.00 177.00 177.13 3i82 s MET 148 N -5.20 0.75 -0.16 4.56 0.23 -0.33 -4.48 119.30 114.67 3i82 s MET 148 Ca 0.64 -0.15 -0.06 0.00 -1.03 0.00 0.00 55.69 55.09 3i82 s MET 148 Cb -0.08 0.35 -0.04 0.00 -1.53 0.00 0.00 34.83 33.53 3i82 s MET 148 CO 0.44 -0.30 0.05 0.00 -2.03 0.00 0.00 175.02 173.19 3i82 s ALA 149 N -2.46 3.42 -0.39 3.16 0.00 -0.00 -0.63 121.76 124.86 3i82 s ALA 149 Ca 0.03 -0.75 -0.08 0.00 0.00 0.00 0.00 51.96 51.16 3i82 s ALA 149 Cb -0.01 -1.83 0.06 0.00 0.00 0.00 0.00 23.12 21.34 3i82 s ALA 149 CO -0.05 0.30 0.20 -0.47 0.00 0.00 0.00 175.76 175.73 3i82 s TYR 150 N 0.01 3.33 -0.15 0.00 6.04 0.22 -1.29 117.35 125.51 3i82 s TYR 150 Ca 0.06 -1.54 -0.01 0.00 0.04 0.00 0.00 57.07 55.62 3i82 s TYR 150 Cb -0.12 -2.72 -0.01 0.00 -1.04 0.00 0.00 41.96 38.07 3i82 s TYR 150 CO 0.01 -0.81 -0.12 -0.51 -1.54 0.00 0.00 175.55 172.58 3i82 s LEU 151 N 1.40 2.70 -0.01 6.97 1.43 -0.10 -1.56 118.68 129.51 3i82 s LEU 151 Ca 0.02 -0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3i82 s LEU 151 Cb -0.22 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.40 3i82 s LEU 151 CO 0.02 0.12 0.02 -0.69 0.23 0.00 0.00 176.35 176.05 3i82 s VAL 152 N 0.62 -0.04 0.15 -1.59 1.01 0.40 -0.56 120.40 120.39 3i82 s VAL 152 Ca -0.07 0.14 -0.25 0.00 0.00 0.00 0.00 61.98 61.80 3i82 s VAL 152 Cb -0.15 -0.06 0.06 0.00 0.00 0.00 0.00 36.38 36.23 3i82 s VAL 152 CO 0.03 0.06 0.90 0.00 0.00 0.00 0.00 175.10 176.09 3i82 s ALA 153 N 0.69 -1.61 0.77 5.51 0.00 -0.68 -0.59 121.76 125.85 3i82 s ALA 153 Ca -0.06 0.19 -0.14 0.00 0.00 0.00 0.00 51.96 51.95 3i82 s ALA 153 Cb -0.08 0.65 0.06 0.00 0.00 0.00 0.00 23.12 23.75 3i82 s ALA 153 CO -0.02 -0.98 1.22 -2.14 0.00 0.00 0.00 175.76 173.84 3i82 s PRO 154 N -3.38 1.83 0.06 0.00 0.02 -1.26 -0.63 135.00 131.64 3i82 s PRO 154 Ca 0.11 1.81 -0.12 0.00 0.02 0.00 0.00 61.00 62.82 3i82 s PRO 154 Cb -0.02 -1.79 -0.03 0.00 0.02 0.00 0.00 34.50 32.68 3i82 s PRO 154 CO 0.01 -2.08 0.66 -2.30 -0.33 0.00 0.00 177.00 172.95 3i82 n PRO 155 N -3.02 -0.17 -0.04 5.54 -0.02 -1.26 -0.60 135.00 135.44 3i82 n PRO 155 Ca 0.14 0.65 -0.15 0.00 -2.02 0.00 0.00 63.50 62.12 3i82 n PRO 155 Cb 0.50 -0.95 -0.08 0.00 -0.02 0.00 0.00 33.50 32.94 3i82 n PRO 155 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3i82 h LEU 156 N 0.00 0.47 -0.63 2.45 6.46 -1.99 -2.08 115.31 119.99 3i82 h LEU 156 Ca 0.06 -0.61 0.06 0.00 -0.12 0.00 0.00 57.88 57.27 3i82 h LEU 156 Cb 0.15 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 39.89 3i82 h LEU 156 CO -0.35 0.99 0.33 -0.33 -0.62 0.00 0.00 178.44 178.46 3i82 h GLU 157 N -0.03 0.59 -0.24 1.25 3.07 -1.69 -1.29 114.58 116.24 3i82 h GLU 157 Ca -0.01 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 3i82 h GLU 157 Cb 0.95 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 3i82 h GLU 157 CO 0.07 0.39 0.08 0.00 -1.40 0.00 0.00 179.01 178.15 3i82 h ALA 158 N 1.34 0.31 -0.02 3.43 0.00 -0.83 0.70 119.26 124.19 3i82 h ALA 158 Ca 0.29 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i82 h ALA 158 Cb 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3i82 h ALA 158 CO -0.20 -0.07 0.01 1.15 0.00 0.00 0.00 179.25 180.14 3i82 h THR 159 N 0.22 1.06 -0.15 0.00 2.02 -1.06 0.12 112.91 115.12 3i82 h THR 159 Ca 0.08 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3i82 h THR 159 Cb 0.21 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 3i82 h THR 159 CO -0.00 0.05 0.10 0.22 0.37 0.00 0.00 175.52 176.25 3i82 h TYR 160 N -0.04 0.19 -0.48 3.16 3.20 -1.23 -2.71 116.97 119.06 3i82 h TYR 160 Ca 0.01 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 3i82 h TYR 160 Cb 0.07 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 3i82 h TYR 160 CO -0.05 0.13 0.09 0.78 -1.64 0.00 0.00 178.16 177.47 3i82 h GLY 161 N 0.20 0.80 0.83 1.82 0.00 -0.73 -1.30 103.07 104.69 3i82 h GLY 161 Ca 0.06 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 3i82 h GLY 161 CO -0.01 0.44 0.02 -2.22 0.00 0.00 0.00 176.54 174.76 3i82 h ILE 162 N 0.71 1.15 -0.40 2.60 2.04 -0.63 0.26 117.51 123.24 3i82 h ILE 162 Ca 0.16 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.62 3i82 h ILE 162 Cb 0.31 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 3i82 h ILE 162 CO 0.00 0.13 0.11 -0.78 0.00 0.00 0.00 178.15 177.61 3i82 h ASP 163 N -0.10 0.09 0.12 1.72 3.58 -1.38 -1.65 116.42 118.80 3i82 h ASP 163 Ca 0.02 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 3i82 h ASP 163 Cb 0.19 0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.29 3i82 h ASP 163 CO -0.00 0.08 -0.10 0.00 -2.88 0.00 0.00 179.24 176.34 3i82 h ALA 164 N 1.28 1.76 0.07 -0.78 0.00 -0.95 -2.67 119.26 117.96 3i82 h ALA 164 Ca 0.19 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 3i82 h ALA 164 Cb 0.20 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.99 3i82 h ALA 164 CO -0.22 0.13 -0.88 0.00 0.00 0.00 0.00 179.25 178.28 3i82 h ALA 165 N 1.90 0.02 0.00 0.00 0.00 -0.22 -2.92 119.26 118.03 3i82 h ALA 165 Ca -0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 3i82 h ALA 165 Cb 0.19 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3i82 h ALA 165 CO 0.01 0.49 -0.03 -0.07 0.00 0.00 0.00 179.25 179.65 3i82 h LEU 166 N -0.00 0.00 0.00 0.00 3.38 -1.12 -1.73 115.31 115.83 3i82 h LEU 166 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3i82 h LEU 166 Cb 1.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.35 3i82 h LEU 166 CO 0.17 0.03 -1.11 0.29 0.09 0.00 0.00 178.44 177.91 3i82 n LYS 167 N -3.24 0.47 0.07 1.13 5.02 -1.03 -4.36 118.16 116.23 3i82 n LYS 167 Ca -0.02 0.03 0.04 0.00 -2.02 0.00 0.00 58.31 56.34 3i82 n LYS 167 Cb 0.19 -1.69 -0.04 0.00 -0.02 0.00 0.00 35.03 33.47 3i82 n LYS 167 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i82 h SER 168 N 0.00 0.00 -5.35 4.39 4.64 -1.12 -3.49 113.55 112.63 3i82 h SER 168 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3i82 h SER 168 Cb 0.88 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.85 3i82 h SER 168 CO 0.00 0.41 -0.33 0.00 -0.87 0.00 0.00 176.83 176.04 3i82 s ALA 169 N -3.05 0.24 -1.07 5.18 0.00 -1.10 -4.86 121.76 117.11 3i82 s ALA 169 Ca -0.01 -1.12 -0.22 0.00 0.00 0.00 0.00 51.96 50.61 3i82 s ALA 169 Cb 0.09 1.09 0.02 0.00 0.00 0.00 0.00 23.12 24.32 3i82 s ALA 169 CO 0.79 -0.71 1.66 0.34 0.00 0.00 0.00 175.76 177.84 3i82 s ASP 170 N -3.04 6.15 0.09 0.00 2.15 -1.26 -4.81 116.67 115.94 3i82 s ASP 170 Ca 0.25 -1.51 -0.06 0.00 0.43 0.00 0.00 52.55 51.66 3i82 s ASP 170 Cb 0.03 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 40.06 3i82 s ASP 170 CO 0.07 -1.85 0.13 0.68 -0.17 0.00 0.00 175.17 174.03 3i82 s VAL 171 N 6.46 0.15 0.12 1.11 -7.23 -1.26 -4.34 120.40 115.41 3i82 s VAL 171 Ca 0.55 -1.43 0.10 0.00 -1.81 0.00 0.00 61.98 59.39 3i82 s VAL 171 Cb -0.01 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 3i82 s VAL 171 CO -0.02 -0.70 -0.25 -1.10 -0.31 0.00 0.00 175.10 172.72 3i82 s GLN 172 N -3.90 1.31 -0.50 4.82 -0.21 -0.01 -4.94 119.66 116.23 3i82 s GLN 172 Ca 0.08 -1.29 -0.27 0.00 0.02 0.00 0.00 55.36 53.90 3i82 s GLN 172 Cb 0.06 -1.71 0.03 0.00 1.00 0.00 0.00 33.01 32.39 3i82 s GLN 172 CO -0.09 0.40 1.03 -1.17 -2.12 0.00 0.00 175.29 173.34 3i82 s LEU 173 N -2.05 3.84 -0.16 2.90 2.96 -1.26 -0.61 118.68 124.29 3i82 s LEU 173 Ca 0.12 0.12 -0.20 0.00 -0.22 0.00 0.00 54.13 53.95 3i82 s LEU 173 Cb -0.10 -3.22 -0.18 0.00 0.50 0.00 0.00 46.19 43.20 3i82 s LEU 173 CO 0.06 -1.20 0.35 0.00 -1.32 0.00 0.00 176.35 174.24 3i82 h ALA 174 N 9.24 0.10 -3.65 5.97 0.00 -1.42 -3.48 119.26 126.01 3i82 h ALA 174 Ca -0.24 -0.71 -0.28 0.00 0.00 0.00 0.00 54.91 53.67 3i82 h ALA 174 Cb 1.07 0.34 -0.31 0.00 0.00 0.00 0.00 17.79 18.89 3i82 h ALA 174 CO 1.09 0.33 -0.73 0.95 0.00 0.00 0.00 179.25 180.88 3i82 s THR 175 N -2.19 0.08 -0.16 0.00 -4.23 -0.90 -4.72 115.64 103.51 3i82 s THR 175 Ca -0.20 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 3i82 s THR 175 Cb 0.01 -0.13 0.03 0.00 1.34 0.00 0.00 72.50 73.75 3i82 s THR 175 CO 0.51 0.07 -0.12 -0.47 -0.54 0.00 0.00 174.62 174.07 3i82 s TYR 176 N 0.46 2.12 -0.51 3.99 6.04 -1.26 -1.11 117.35 127.08 3i82 s TYR 176 Ca -0.04 -1.24 -0.09 0.00 0.04 0.00 0.00 57.07 55.74 3i82 s TYR 176 Cb -0.06 -1.55 0.13 0.00 -1.04 0.00 0.00 41.96 39.44 3i82 s TYR 176 CO -0.01 -0.67 0.39 0.08 -1.54 0.00 0.00 175.55 173.80 3i82 s VAL 177 N 1.50 4.29 0.81 3.14 1.01 -0.11 -5.03 120.40 126.01 3i82 s VAL 177 Ca 0.03 -1.94 -0.11 0.00 0.00 0.00 0.00 61.98 59.97 3i82 s VAL 177 Cb -0.14 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 32.52 3i82 s VAL 177 CO -0.10 -0.81 1.11 -2.16 0.00 0.00 0.00 175.10 173.15 3i82 s PRO 178 N 1.15 1.88 0.33 2.72 0.04 -1.26 -1.60 135.00 138.27 3i82 s PRO 178 Ca 0.08 1.33 -0.27 0.00 0.04 0.00 0.00 61.00 62.17 3i82 s PRO 178 Cb -0.25 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 3i82 s PRO 178 CO -0.02 -1.95 1.08 -1.25 0.04 0.00 0.00 177.00 174.91 3i82 s PRO 179 N -4.74 4.44 0.18 0.56 0.04 -1.26 -4.26 135.00 129.97 3i82 s PRO 179 Ca 0.64 1.69 0.05 0.00 0.04 0.00 0.00 61.00 63.42 3i82 s PRO 179 Cb -0.20 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 3i82 s PRO 179 CO 0.55 0.07 0.23 -1.25 0.04 0.00 0.00 177.00 176.64 3i82 s PRO 180 N -1.86 3.16 0.88 0.56 0.04 -1.26 -5.09 135.00 131.42 3i82 s PRO 180 Ca 0.50 -0.80 -0.09 0.00 0.04 0.00 0.00 61.00 60.65 3i82 s PRO 180 Cb -0.28 -2.77 0.18 0.00 0.04 0.00 0.00 34.50 31.67 3i82 s PRO 180 CO 0.36 0.47 1.20 -1.54 0.04 0.00 0.00 177.00 177.53 3i82 s SER 181 N -3.39 3.49 0.37 6.66 1.04 -0.58 -4.86 113.70 116.43 3i82 s SER 181 Ca 0.33 -0.10 0.09 0.00 0.48 0.00 0.00 55.95 56.75 3i82 s SER 181 Cb -0.10 -0.02 0.84 0.00 0.10 0.00 0.00 66.02 66.85 3i82 s SER 181 CO 0.26 -2.46 1.92 -0.33 0.98 0.00 0.00 173.24 173.61 3i82 h GLU 182 N -1.22 0.63 -0.00 4.02 3.07 -1.89 -1.05 114.58 118.13 3i82 h GLU 182 Ca -0.40 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 3i82 h GLU 182 Cb 1.24 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 3i82 h GLU 182 CO 0.36 0.42 -0.04 0.25 -1.40 0.00 0.00 179.01 178.59 3i82 n THR 183 N -4.51 0.00 -1.89 1.13 -2.24 -1.24 -0.32 114.28 105.21 3i82 n THR 183 Ca 0.14 -0.03 -0.04 0.00 -2.27 0.00 0.00 64.05 61.84 3i82 n THR 183 Cb 0.39 -0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 68.31 3i82 n THR 183 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3i82 n ASN 184 N -1.03 -2.29 -4.83 3.42 3.02 -0.40 -4.51 115.26 108.64 3i82 n ASN 184 Ca 0.17 0.02 -0.27 0.00 -0.03 0.00 0.00 54.58 54.47 3i82 n ASN 184 Cb 0.23 -1.38 -0.04 0.00 -0.61 0.00 0.00 39.78 37.97 3i82 n ASN 184 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3i82 s TYR 185 N -2.20 2.02 0.11 3.10 2.02 -1.26 -4.42 117.35 116.73 3i82 s TYR 185 Ca 0.00 -0.77 0.08 0.00 -0.37 0.00 0.00 57.07 56.01 3i82 s TYR 185 Cb 0.00 -1.89 -0.04 0.00 -0.40 0.00 0.00 41.96 39.64 3i82 s TYR 185 CO 0.00 -0.13 -0.19 0.45 -1.57 0.00 0.00 175.55 174.11 3i82 s SER 186 N -4.09 2.46 0.05 2.29 0.15 0.20 -1.53 113.70 113.23 3i82 s SER 186 Ca 0.31 -0.72 -0.07 0.00 0.70 0.00 0.00 55.95 56.17 3i82 s SER 186 Cb 0.00 -0.13 -0.01 0.00 -1.71 0.00 0.00 66.02 64.17 3i82 s SER 186 CO 0.18 0.01 0.13 0.00 1.20 0.00 0.00 173.24 174.77 3i82 s ALA 187 N -1.41 -0.12 -0.07 5.45 0.00 -0.62 -1.69 121.76 123.28 3i82 s ALA 187 Ca 0.08 -0.54 -0.08 0.00 0.00 0.00 0.00 51.96 51.41 3i82 s ALA 187 Cb -0.09 0.30 0.02 0.00 0.00 0.00 0.00 23.12 23.35 3i82 s ALA 187 CO 0.04 -0.36 0.22 0.00 0.00 0.00 0.00 175.76 175.66 3i82 s ALA 188 N -2.89 -0.54 -0.28 0.00 0.00 0.27 -0.93 121.76 117.39 3i82 s ALA 188 Ca -0.03 0.54 -0.02 0.00 0.00 0.00 0.00 51.96 52.46 3i82 s ALA 188 Cb 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 23.12 22.86 3i82 s ALA 188 CO -0.06 -0.12 -0.02 -0.06 0.00 0.00 0.00 175.76 175.50 3i82 s PHE 189 N -0.10 3.17 0.01 0.00 0.08 -0.27 -0.93 117.98 119.94 3i82 s PHE 189 Ca -0.02 -1.68 -0.02 0.00 0.12 0.00 0.00 56.93 55.33 3i82 s PHE 189 Cb -0.02 -2.10 -0.04 0.00 -0.57 0.00 0.00 43.02 40.29 3i82 s PHE 189 CO 0.01 -0.76 0.17 -0.51 -0.10 0.00 0.00 175.22 174.03 3i82 s LEU 190 N 1.30 4.31 0.25 -0.37 1.43 -0.41 -1.02 118.68 124.15 3i82 s LEU 190 Ca -0.03 0.30 0.10 0.00 -1.03 0.00 0.00 54.13 53.48 3i82 s LEU 190 Cb -0.18 -2.64 -0.05 0.00 0.03 0.00 0.00 46.19 43.35 3i82 s LEU 190 CO -0.02 0.25 -0.18 -0.89 0.23 0.00 0.00 176.35 175.73 3i82 s THR 191 N -1.34 2.19 -5.00 5.49 2.01 0.22 -0.82 115.64 118.38 3i82 s THR 191 Ca 0.28 -2.30 0.00 0.00 0.31 0.00 0.00 61.69 59.98 3i82 s THR 191 Cb -0.13 -2.18 0.00 0.00 0.01 0.00 0.00 72.50 70.20 3i82 s THR 191 CO 0.20 -0.45 0.00 0.61 -0.69 0.00 0.00 174.62 174.29 3i82 n GLY 192 N -0.46 0.69 3.69 4.40 0.00 -1.26 -0.83 105.19 111.41 3i82 n GLY 192 Ca -0.07 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 3i82 n GLY 192 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i82 s SER 193 N -4.00 3.13 0.01 1.61 0.15 -1.26 -4.53 113.70 108.81 3i82 s SER 193 Ca 0.00 2.17 -0.25 0.00 0.70 0.00 0.00 55.95 58.57 3i82 s SER 193 Cb 0.00 -2.56 -0.19 0.00 -1.71 0.00 0.00 66.02 61.56 3i82 s SER 193 CO 0.00 -2.97 1.42 -0.61 1.20 0.00 0.00 173.24 172.28 3i82 h GLN 194 N -1.72 0.01 -0.83 5.44 4.15 -1.95 -1.11 115.11 119.09 3i82 h GLN 194 Ca -0.43 -0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.06 3i82 h GLN 194 Cb 1.27 -0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.89 3i82 h GLN 194 CO 0.43 0.34 0.49 0.00 -1.93 0.00 0.00 178.83 178.16 3i82 h ALA 195 N 0.67 1.16 -0.86 3.38 0.00 -2.00 -0.85 119.26 120.77 3i82 h ALA 195 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3i82 h ALA 195 Cb 0.34 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3i82 h ALA 195 CO 0.00 0.18 0.46 0.00 0.00 0.00 0.00 179.25 179.89 3i82 h ALA 196 N 1.42 1.20 -0.70 0.00 0.00 -1.85 -1.35 119.26 117.98 3i82 h ALA 196 Ca 0.38 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3i82 h ALA 196 Cb 0.26 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3i82 h ALA 196 CO -0.21 0.64 0.18 0.00 0.00 0.00 0.00 179.25 179.86 3i82 h LYS 198 N 1.04 0.39 -0.27 0.00 3.11 -0.85 -0.39 116.57 119.59 3i82 h LYS 198 Ca 0.22 -0.03 0.06 0.00 -2.81 0.00 0.00 60.65 58.09 3i82 h LYS 198 Cb 0.36 -0.08 -0.07 0.00 -1.00 0.00 0.00 32.23 31.44 3i82 h LYS 198 CO 0.00 0.29 -0.17 0.00 -2.81 0.00 0.00 179.45 176.76 3i82 h ALA 199 N 1.08 0.03 -0.88 5.00 0.00 -0.78 -0.60 119.26 123.11 3i82 h ALA 199 Ca 0.10 0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.22 3i82 h ALA 199 Cb -0.01 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 3i82 h ALA 199 CO -0.02 -0.57 0.51 0.00 0.00 0.00 0.00 179.25 179.17 3i82 h ALA 200 N 1.04 1.28 -0.73 0.00 0.00 -0.65 -1.04 119.26 119.15 3i82 h ALA 200 Ca 0.15 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3i82 h ALA 200 Cb 0.36 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3i82 h ALA 200 CO -0.36 0.11 0.29 0.00 0.00 0.00 0.00 179.25 179.29 3i82 h ASN 202 N 1.06 0.88 -0.20 0.00 2.35 -0.25 -1.28 115.58 118.15 3i82 h ASN 202 Ca 0.25 -0.36 -0.11 0.00 -0.55 0.00 0.00 56.30 55.52 3i82 h ASN 202 Cb 0.21 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3i82 h ASN 202 CO -0.02 1.04 -0.25 0.00 -1.65 0.00 0.00 177.43 176.55 3i82 h ALA 203 N 0.87 0.94 0.09 -0.83 0.00 -1.07 -1.62 119.26 117.64 3i82 h ALA 203 Ca 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3i82 h ALA 203 Cb 0.65 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3i82 h ALA 203 CO 0.04 0.61 -0.08 0.35 0.00 0.00 0.00 179.25 180.17 3i82 h PHE 204 N 0.58 -0.21 -0.62 0.00 3.57 -0.77 -1.78 116.94 117.71 3i82 h PHE 204 Ca 0.08 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.64 3i82 h PHE 204 Cb 0.73 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 3i82 h PHE 204 CO 0.03 -0.13 0.32 1.15 -2.23 0.00 0.00 178.31 177.45 3i82 h THR 205 N -0.19 0.92 -0.78 4.41 2.02 -1.07 -1.37 112.91 116.84 3i82 h THR 205 Ca 0.00 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 3i82 h THR 205 Cb 0.18 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 3i82 h THR 205 CO -0.02 0.11 0.37 0.44 0.37 0.00 0.00 175.52 176.79 3i82 h ASP 206 N 0.58 1.02 -0.37 4.18 5.19 -1.08 -0.74 116.42 125.21 3i82 h ASP 206 Ca 0.29 -0.12 -0.04 0.00 -0.62 0.00 0.00 57.03 56.53 3i82 h ASP 206 Cb 0.23 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 3i82 h ASP 206 CO -0.21 0.87 0.06 0.00 -3.12 0.00 0.00 179.24 176.84 3i82 h ALA 207 N 1.28 0.49 -0.52 3.45 0.00 -0.54 -1.47 119.26 121.95 3i82 h ALA 207 Ca 0.27 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3i82 h ALA 207 Cb 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3i82 h ALA 207 CO -0.03 0.20 -0.10 0.28 0.00 0.00 0.00 179.25 179.60 3i82 h VAL 208 N 0.45 1.26 -0.52 0.00 2.07 -1.03 -2.47 116.25 116.02 3i82 h VAL 208 Ca 0.11 -1.23 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 3i82 h VAL 208 Cb 0.36 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3i82 h VAL 208 CO 0.01 0.43 0.09 -0.07 0.02 0.00 0.00 177.57 178.05 3i82 h LEU 209 N 0.86 0.82 -0.43 2.57 3.38 -1.05 -0.70 115.31 120.77 3i82 h LEU 209 Ca 0.14 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.91 3i82 h LEU 209 Cb 0.64 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 3i82 h LEU 209 CO 0.04 0.87 0.13 -0.33 0.09 0.00 0.00 178.44 179.24 3i82 h GLU 210 N 0.74 0.28 -0.29 1.13 5.08 -1.05 0.40 114.58 120.87 3i82 h GLU 210 Ca 0.16 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 3i82 h GLU 210 Cb 0.39 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3i82 h GLU 210 CO 0.01 0.18 -0.22 0.82 -1.00 0.00 0.00 179.01 178.80 3i82 h ILE 211 N 0.28 1.26 -0.87 3.13 2.04 -1.32 -1.40 117.51 120.63 3i82 h ILE 211 Ca 0.20 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 3i82 h ILE 211 Cb 0.21 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 3i82 h ILE 211 CO -0.22 0.40 0.50 0.00 0.00 0.00 0.00 178.15 178.83 3i82 h ALA 212 N 1.28 1.12 -0.01 1.87 0.00 0.15 -0.61 119.26 123.04 3i82 h ALA 212 Ca 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3i82 h ALA 212 Cb 0.65 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3i82 h ALA 212 CO 0.05 0.60 -0.04 0.00 0.00 0.00 0.00 179.25 179.85 3i82 h ARG 213 N 1.21 0.05 -2.78 0.00 3.08 -0.70 -3.40 114.38 111.83 3i82 h ARG 213 Ca 0.31 -0.04 -0.61 0.00 0.07 0.00 0.00 59.98 59.72 3i82 h ARG 213 Cb -0.01 0.01 -0.40 0.00 0.08 0.00 0.00 29.97 29.64 3i82 h ARG 213 CO -0.05 0.67 -0.75 -0.80 -1.07 0.00 0.00 179.97 177.97 3i82 s ASN 214 N -5.91 3.36 0.47 7.04 0.01 -0.55 -4.98 114.94 114.38 3i82 s ASN 214 Ca -0.16 -3.47 0.15 0.00 -0.71 0.00 0.00 52.86 48.66 3i82 s ASN 214 Cb 0.01 -1.11 1.09 0.00 0.41 0.00 0.00 41.25 41.65 3i82 s ASN 214 CO 0.69 -0.13 2.04 1.55 -1.51 0.00 0.00 177.10 179.75 3i82 h PRO 215 N 5.56 0.00 -4.43 -0.60 0.13 -1.33 -3.38 132.00 127.94 3i82 h PRO 215 Ca 0.19 -0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.69 3i82 h PRO 215 Cb 0.83 -0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.57 3i82 h PRO 215 CO 0.56 0.12 -0.78 0.42 -0.23 0.00 0.00 178.00 178.10 3i82 s ILE 216 N -4.79 1.68 -2.43 -3.56 1.01 -1.26 -5.02 121.20 106.82 3i82 s ILE 216 Ca -0.04 -1.42 0.29 0.00 0.00 0.00 0.00 60.65 59.48 3i82 s ILE 216 Cb 0.16 -1.96 0.60 0.00 0.01 0.00 0.00 42.46 41.27 3i82 s ILE 216 CO 0.69 -0.17 1.81 0.00 0.00 0.00 0.00 174.94 177.27