#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bd3 s VAL 17 N 0.00 4.96 -1.35 2.52 1.01 -0.00 -4.12 120.40 123.41 2bd3 s VAL 17 Ca 0.00 1.04 -0.01 0.00 0.00 0.00 0.00 61.98 63.01 2bd3 s VAL 17 Cb 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2bd3 s VAL 17 CO 0.00 0.49 0.15 0.61 0.00 0.00 0.00 175.10 176.36 2bd3 n GLY 18 N 2.19 -0.30 3.89 4.51 0.00 -1.24 -1.62 105.19 112.63 2bd3 n GLY 18 Ca -0.10 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 2bd3 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bd3 n GLY 19 N -1.13 0.38 3.30 -0.02 0.00 -1.26 -4.78 105.19 101.67 2bd3 n GLY 19 Ca -0.16 -1.99 -0.19 0.00 0.00 0.00 0.00 46.02 43.68 2bd3 n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bd3 s THR 20 N -3.20 1.57 0.08 2.61 -4.23 0.34 -4.92 115.64 107.89 2bd3 s THR 20 Ca 0.68 -1.92 -0.31 0.00 -1.18 0.00 0.00 61.69 58.96 2bd3 s THR 20 Cb -0.04 -1.77 -0.07 0.00 1.34 0.00 0.00 72.50 71.96 2bd3 s THR 20 CO 0.45 -0.45 1.42 -0.70 -0.54 0.00 0.00 174.62 174.81 2bd3 s GLU 21 N -3.01 4.29 0.53 3.99 2.12 -1.26 -0.74 118.70 124.63 2bd3 s GLU 21 Ca 0.15 2.08 -0.20 0.00 0.36 0.00 0.00 54.97 57.36 2bd3 s GLU 21 Cb -0.04 -3.37 -0.06 0.00 0.26 0.00 0.00 34.13 30.92 2bd3 s GLU 21 CO 0.05 -0.51 1.13 0.00 -0.54 0.00 0.00 175.26 175.39 2bd3 s ALA 22 N 1.63 2.73 0.56 6.30 0.00 -0.34 -4.83 121.76 127.81 2bd3 s ALA 22 Ca 0.65 0.83 -0.19 0.00 0.00 0.00 0.00 51.96 53.25 2bd3 s ALA 22 Cb -0.36 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.35 2bd3 s ALA 22 CO 0.29 -0.75 1.17 -1.14 0.00 0.00 0.00 175.76 175.34 2bd3 s GLN 23 N -3.23 3.19 0.43 0.00 2.00 -1.26 -4.88 119.66 115.92 2bd3 s GLN 23 Ca 0.72 1.73 0.21 0.00 -2.00 0.00 0.00 55.36 56.01 2bd3 s GLN 23 Cb -0.24 -1.99 1.16 0.00 0.80 0.00 0.00 33.01 32.74 2bd3 s GLN 23 CO 0.27 -1.00 1.84 -0.09 -0.50 0.00 0.00 175.29 175.81 2bd3 h ARG 24 N 1.10 0.32 -0.21 1.67 2.43 -1.98 -2.54 114.38 115.16 2bd3 h ARG 24 Ca -0.50 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 2bd3 h ARG 24 Cb 1.28 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2bd3 h ARG 24 CO 0.56 0.21 0.00 0.27 -1.51 0.00 0.00 179.97 179.51 2bd3 n ASN 25 N -4.49 3.15 -0.05 -3.80 6.94 -1.26 -4.69 115.26 111.05 2bd3 n ASN 25 Ca 0.21 -2.61 -0.16 0.00 -0.02 0.00 0.00 54.58 52.00 2bd3 n ASN 25 Cb 0.81 -0.37 -0.06 0.00 -2.36 0.00 0.00 39.78 37.79 2bd3 n ASN 25 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2bd3 h SER 26 N 1.38 0.86 -2.10 0.53 0.02 -1.79 -3.40 113.55 109.05 2bd3 h SER 26 Ca 0.00 -0.58 -0.56 0.00 -0.84 0.00 0.00 61.79 59.81 2bd3 h SER 26 Cb 1.06 -0.25 -0.41 0.00 0.14 0.00 0.00 62.40 62.94 2bd3 h SER 26 CO 0.10 1.29 -0.89 0.79 -1.14 0.00 0.00 176.83 176.98 2bd3 n TRP 27 N -4.07 1.66 0.68 3.45 7.02 -1.26 -4.96 117.44 119.96 2bd3 n TRP 27 Ca -0.06 -3.86 0.07 0.00 -1.02 0.00 0.00 57.50 52.63 2bd3 n TRP 27 Cb 0.64 -0.45 0.37 0.00 -2.42 0.00 0.00 31.31 29.45 2bd3 n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 2bd3 n PRO 28 N 0.80 0.17 0.00 -0.99 -0.04 -1.26 -1.90 135.00 131.77 2bd3 n PRO 28 Ca 0.26 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 64.01 2bd3 n PRO 28 Cb 0.49 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.76 2bd3 n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2bd3 n SER 29 N -1.34 0.80 -4.73 3.54 3.41 -1.23 -1.59 113.62 112.49 2bd3 n SER 29 Ca 0.06 -0.61 -0.42 0.00 -0.26 0.00 0.00 58.87 57.65 2bd3 n SER 29 Cb 0.14 0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 2bd3 n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2bd3 s GLN 30 N -2.74 4.41 0.26 4.33 2.00 -0.80 -0.73 119.66 126.39 2bd3 s GLN 30 Ca 0.18 1.95 0.11 0.00 -2.00 0.00 0.00 55.36 55.60 2bd3 s GLN 30 Cb 0.18 -3.25 -0.05 0.00 0.80 0.00 0.00 33.01 30.69 2bd3 s GLN 30 CO 0.61 -0.25 -0.20 0.96 -0.50 0.00 0.00 175.29 175.91 2bd3 s ILE 31 N 0.48 2.38 -0.23 -2.34 -5.25 -0.57 -4.52 121.20 111.16 2bd3 s ILE 31 Ca 0.58 -2.33 -0.07 0.00 -0.99 0.00 0.00 60.65 57.84 2bd3 s ILE 31 Cb -0.34 -2.24 -0.03 0.00 2.95 0.00 0.00 42.46 42.80 2bd3 s ILE 31 CO 0.34 -0.37 0.07 -0.55 -1.79 0.00 0.00 174.94 172.64 2bd3 s SER 32 N -3.35 5.33 -0.25 4.36 0.15 -0.62 -2.60 113.70 116.73 2bd3 s SER 32 Ca 0.28 -0.10 -0.14 0.00 0.70 0.00 0.00 55.95 56.68 2bd3 s SER 32 Cb -0.05 -1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 62.27 2bd3 s SER 32 CO 0.13 0.04 0.32 -0.22 1.20 0.00 0.00 173.24 174.71 2bd3 s LEU 33 N 1.20 4.08 0.13 3.45 2.96 0.08 -0.79 118.68 129.79 2bd3 s LEU 33 Ca 0.05 0.29 0.08 0.00 -0.22 0.00 0.00 54.13 54.33 2bd3 s LEU 33 Cb -0.14 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 2bd3 s LEU 33 CO 0.03 -0.10 -0.19 -1.10 -1.32 0.00 0.00 176.35 173.68 2bd3 s GLN 34 N 1.64 1.17 0.14 1.98 -0.21 -0.29 -0.83 119.66 123.27 2bd3 s GLN 34 Ca 0.14 -1.27 0.10 0.00 0.02 0.00 0.00 55.36 54.34 2bd3 s GLN 34 Cb -0.15 -1.28 -0.04 0.00 1.00 0.00 0.00 33.01 32.54 2bd3 s GLN 34 CO 0.08 0.27 -0.22 1.52 -2.12 0.00 0.00 175.29 174.82 2bd3 s TYR 35 N -1.69 2.03 0.14 0.91 -0.85 -0.28 -1.04 117.35 116.55 2bd3 s TYR 35 Ca 0.11 -0.41 -0.30 0.00 -0.52 0.00 0.00 57.07 55.95 2bd3 s TYR 35 Cb -0.07 -1.06 -0.07 0.00 0.38 0.00 0.00 41.96 41.13 2bd3 s TYR 35 CO 0.05 0.33 1.19 0.50 -1.52 0.00 0.00 175.55 176.10 2bd3 s ARG 36 N -2.31 4.48 -0.29 -3.49 3.00 -0.44 -0.97 118.95 118.93 2bd3 s ARG 36 Ca 0.13 1.82 -0.02 0.00 -1.00 0.00 0.00 55.73 56.66 2bd3 s ARG 36 Cb -0.09 -3.29 0.12 0.00 0.00 0.00 0.00 34.95 31.70 2bd3 s ARG 36 CO 0.06 -0.13 0.23 0.45 0.00 0.00 0.00 175.30 175.91 2bd3 s SER 36 N 0.46 2.44 1.67 -2.12 0.15 0.37 -4.80 113.70 111.87 2bd3 s SER 36 Ca 0.55 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 56.18 2bd3 s SER 36 Cb -0.31 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 2bd3 s SER 36 CO 0.33 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2bd3 n GLY 36 N 5.23 3.24 1.28 9.45 0.00 -1.26 -1.33 105.19 121.80 2bd3 n GLY 36 Ca -0.03 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 45.96 2bd3 n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bd3 n SER 36 N 7.67 3.72 -3.21 1.61 3.41 -1.26 -4.97 113.62 120.58 2bd3 n SER 36 Ca 0.00 -2.00 -0.17 0.00 -0.26 0.00 0.00 58.87 56.45 2bd3 n SER 36 Cb 0.00 -0.44 -0.04 0.00 -0.26 0.00 0.00 64.21 63.47 2bd3 n SER 36 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2bd3 n SER 37 N 1.55 2.00 -4.23 4.04 3.41 -0.44 -5.16 113.62 114.79 2bd3 n SER 37 Ca 0.23 -2.27 -0.26 0.00 -0.26 0.00 0.00 58.87 56.31 2bd3 n SER 37 Cb 0.59 0.39 -0.15 0.00 -0.26 0.00 0.00 64.21 64.79 2bd3 n SER 37 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2bd3 s TRP 38 N -2.23 1.82 -0.08 7.33 0.52 -1.26 -0.48 118.94 124.55 2bd3 s TRP 38 Ca 0.06 -0.36 0.04 0.00 0.02 0.00 0.00 56.10 55.86 2bd3 s TRP 38 Cb 0.00 -1.13 0.00 0.00 -1.15 0.00 0.00 33.47 31.19 2bd3 s TRP 38 CO 0.04 0.02 -0.20 0.00 0.02 0.00 0.00 176.95 176.83 2bd3 s ALA 39 N -0.62 1.86 0.27 0.98 0.00 -0.14 -4.92 121.76 119.19 2bd3 s ALA 39 Ca 0.08 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 2bd3 s ALA 39 Cb -0.08 -0.71 -0.11 0.00 0.00 0.00 0.00 23.12 22.22 2bd3 s ALA 39 CO 0.00 0.24 1.52 -1.58 0.00 0.00 0.00 175.76 175.95 2bd3 s HIS 40 N 0.39 2.88 0.00 0.00 2.46 -1.26 -1.13 115.29 118.63 2bd3 s HIS 40 Ca -0.16 0.89 0.00 0.00 0.47 0.00 0.00 55.06 56.26 2bd3 s HIS 40 Cb -0.17 -3.95 0.00 0.00 -0.13 0.00 0.00 32.58 28.33 2bd3 s HIS 40 CO 0.07 -3.16 0.00 -2.37 -2.47 0.00 0.00 174.74 166.80 2bd3 n THR 41 N 2.28 0.00 -3.82 0.89 5.66 -0.01 -4.93 114.28 114.35 2bd3 n THR 41 Ca 0.08 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.99 2bd3 n THR 41 Cb 0.39 -0.74 -0.04 0.00 -1.55 0.00 0.00 70.33 68.39 2bd3 n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2bd3 n GLY 43 N -0.38 1.18 3.74 0.00 0.00 0.71 -0.74 105.19 109.70 2bd3 n GLY 43 Ca -0.07 -2.10 -0.02 0.00 0.00 0.00 0.00 46.02 43.83 2bd3 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bd3 s GLY 44 N -4.68 -0.23 -0.11 -0.02 0.00 -1.07 -3.38 107.32 97.83 2bd3 s GLY 44 Ca 0.58 0.20 0.02 0.00 0.00 0.00 0.00 44.72 45.52 2bd3 s GLY 44 CO 0.38 0.43 -0.16 -1.59 0.00 0.00 0.00 173.10 172.16 2bd3 s THR 45 N -2.91 1.56 -0.07 0.90 2.01 0.41 -1.51 115.64 116.03 2bd3 s THR 45 Ca 0.14 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 2bd3 s THR 45 Cb 0.00 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 2bd3 s THR 45 CO 0.01 0.45 1.49 -0.22 -0.69 0.00 0.00 174.62 175.66 2bd3 s LEU 46 N 0.95 4.28 -0.02 4.42 2.96 0.09 -0.45 118.68 130.90 2bd3 s LEU 46 Ca -0.07 2.06 0.06 0.00 -0.22 0.00 0.00 54.13 55.96 2bd3 s LEU 46 Cb -0.15 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.90 2bd3 s LEU 46 CO -0.01 -0.84 0.12 2.30 -1.32 0.00 0.00 176.35 176.60 2bd3 n ILE 47 N 5.27 0.11 -4.25 6.68 -5.35 0.00 -0.09 119.36 121.73 2bd3 n ILE 47 Ca 0.15 -0.18 -0.14 0.00 -0.27 0.00 0.00 62.75 62.32 2bd3 n ILE 47 Cb 0.43 0.05 -0.10 0.00 -1.74 0.00 0.00 39.64 38.28 2bd3 n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2bd3 s ARG 48 N -2.39 1.18 0.64 6.28 1.81 -0.92 -4.73 118.95 120.83 2bd3 s ARG 48 Ca -0.03 -1.60 0.38 0.00 -1.72 0.00 0.00 55.73 52.77 2bd3 s ARG 48 Cb 0.04 -0.15 2.13 0.00 -0.45 0.00 0.00 34.95 36.51 2bd3 s ARG 48 CO 0.27 -0.22 2.28 1.96 -0.68 0.00 0.00 175.30 178.91 2bd3 h GLN 49 N 2.62 0.00 0.00 3.54 4.20 -1.95 -2.31 115.11 121.20 2bd3 h GLN 49 Ca -0.37 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.33 2bd3 h GLN 49 Cb 1.22 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 2bd3 h GLN 49 CO 0.61 0.00 -0.22 0.27 -0.67 0.00 0.00 178.83 178.82 2bd3 n ASN 50 N -3.34 1.72 -3.84 1.46 6.94 -1.26 -1.21 115.26 115.72 2bd3 n ASN 50 Ca -0.02 -2.92 -0.14 0.00 -0.02 0.00 0.00 54.58 51.47 2bd3 n ASN 50 Cb 0.13 -0.39 -0.15 0.00 -2.36 0.00 0.00 39.78 37.01 2bd3 n ASN 50 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 2bd3 s TRP 51 N -2.20 0.14 -0.06 -2.53 0.52 -0.87 -0.87 118.94 113.07 2bd3 s TRP 51 Ca 0.26 0.02 0.05 0.00 0.02 0.00 0.00 56.10 56.46 2bd3 s TRP 51 Cb 0.24 -0.19 -0.02 0.00 -1.15 0.00 0.00 33.47 32.35 2bd3 s TRP 51 CO 0.00 -0.05 -0.21 0.08 0.02 0.00 0.00 176.95 176.78 2bd3 s VAL 52 N 0.49 2.39 -0.19 4.03 1.01 -0.19 -0.82 120.40 127.11 2bd3 s VAL 52 Ca -0.04 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.85 2bd3 s VAL 52 Cb -0.07 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 2bd3 s VAL 52 CO -0.01 0.57 0.27 -0.32 0.00 0.00 0.00 175.10 175.61 2bd3 s MET 53 N -0.27 4.19 0.09 2.72 1.75 0.40 -0.24 119.30 127.93 2bd3 s MET 53 Ca 0.00 0.01 0.01 0.00 -1.25 0.00 0.00 55.69 54.46 2bd3 s MET 53 Cb -0.13 -3.48 -0.00 0.00 2.84 0.00 0.00 34.83 34.06 2bd3 s MET 53 CO 0.03 0.13 0.10 -2.37 -0.65 0.00 0.00 175.02 172.26 2bd3 n THR 54 N 3.93 0.00 -3.30 10.11 5.66 -0.27 -0.44 114.28 129.97 2bd3 n THR 54 Ca -0.12 -0.57 -0.38 0.00 -3.05 0.00 0.00 64.05 59.93 2bd3 n THR 54 Cb 0.52 0.31 -0.06 0.00 -1.55 0.00 0.00 70.33 69.55 2bd3 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2bd3 s ALA 55 N -2.14 3.59 0.26 1.79 0.00 -1.26 -0.97 121.76 123.04 2bd3 s ALA 55 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 51.96 52.02 2bd3 s ALA 55 Cb 0.00 -2.60 0.48 0.00 0.00 0.00 0.00 23.12 21.00 2bd3 s ALA 55 CO 0.07 0.42 1.82 0.00 0.00 0.00 0.00 175.76 178.06 2bd3 h ALA 56 N 4.28 1.35 0.00 0.00 0.00 -1.68 -1.81 119.26 121.40 2bd3 h ALA 56 Ca -0.49 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2bd3 h ALA 56 Cb 1.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2bd3 h ALA 56 CO 0.64 0.16 0.00 1.12 0.00 0.00 0.00 179.25 181.17 2bd3 h HIS 57 N 0.89 0.00 0.00 0.00 2.07 -1.92 -1.70 115.15 114.49 2bd3 h HIS 57 Ca 0.45 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.93 2bd3 h HIS 57 Cb 0.44 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.41 2bd3 h HIS 57 CO -0.03 0.00 -0.19 0.00 -3.07 0.00 0.00 177.93 174.64 2bd3 n VAL 59 N -3.32 2.07 -0.17 0.00 0.24 -0.65 -4.61 118.33 111.89 2bd3 n VAL 59 Ca 0.00 -2.54 -0.09 0.00 -2.04 0.00 0.00 64.34 59.68 2bd3 n VAL 59 Cb 0.43 -0.25 0.05 0.00 -1.47 0.00 0.00 33.84 32.60 2bd3 n VAL 59 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2bd3 h ASP 60 N 0.54 0.98 -3.93 -1.34 3.32 -1.52 -3.44 116.42 111.02 2bd3 h ASP 60 Ca 0.02 -0.30 -0.50 0.00 0.02 0.00 0.00 57.03 56.26 2bd3 h ASP 60 Cb 1.09 -0.26 0.04 0.00 0.22 0.00 0.00 39.33 40.42 2bd3 h ASP 60 CO 0.05 1.07 0.49 -0.13 -1.72 0.00 0.00 179.24 179.00 2bd3 s ARG 61 N -4.89 4.13 -0.27 3.56 3.00 -1.26 -4.89 118.95 118.33 2bd3 s ARG 61 Ca -0.11 1.79 -0.05 0.00 0.00 0.00 0.00 55.73 57.36 2bd3 s ARG 61 Cb 0.13 -2.71 -0.17 0.00 0.00 0.00 0.00 34.95 32.20 2bd3 s ARG 61 CO 0.85 -0.24 2.75 -1.91 0.00 0.00 0.00 175.30 176.76 2bd3 n GLU 62 N 0.17 1.77 -3.25 3.54 4.07 -1.26 -4.91 120.64 120.77 2bd3 n GLU 62 Ca 0.04 -0.97 -0.18 0.00 -0.06 0.00 0.00 57.16 55.98 2bd3 n GLU 62 Cb 0.47 -2.03 0.00 0.00 -0.06 0.00 0.00 31.44 29.82 2bd3 n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2bd3 s LEU 63 N 0.03 3.82 -0.20 4.31 1.43 -1.26 -5.08 118.68 121.72 2bd3 s LEU 63 Ca 0.50 -0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 53.15 2bd3 s LEU 63 Cb 0.22 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 2bd3 s LEU 63 CO -0.01 -0.59 0.58 -0.89 0.23 0.00 0.00 176.35 175.67 2bd3 s THR 64 N -2.27 5.05 0.05 5.49 2.01 -1.26 -5.02 115.64 119.69 2bd3 s THR 64 Ca 0.49 1.09 0.05 0.00 0.31 0.00 0.00 61.69 63.63 2bd3 s THR 64 Cb -0.10 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 2bd3 s THR 64 CO 0.32 0.13 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.93 2bd3 s PHE 65 N 1.85 2.80 0.15 4.92 0.40 -1.26 -1.33 117.98 125.51 2bd3 s PHE 65 Ca 0.27 -0.11 0.04 0.00 -0.60 0.00 0.00 56.93 56.53 2bd3 s PHE 65 Cb -0.16 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 2bd3 s PHE 65 CO 0.10 0.38 -0.08 -0.98 0.70 0.00 0.00 175.22 175.34 2bd3 s ARG 65 N -1.77 1.07 -0.08 0.44 1.70 -0.21 -2.72 118.95 117.39 2bd3 s ARG 65 Ca 0.19 -1.47 0.02 0.00 -0.47 0.00 0.00 55.73 54.01 2bd3 s ARG 65 Cb -0.11 -0.57 -0.02 0.00 -0.57 0.00 0.00 34.95 33.68 2bd3 s ARG 65 CO 0.10 0.04 -0.14 0.08 -1.08 0.00 0.00 175.30 174.30 2bd3 s VAL 66 N -3.38 3.05 -0.17 4.99 1.01 0.16 -1.14 120.40 124.92 2bd3 s VAL 66 Ca 0.18 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 2bd3 s VAL 66 Cb 0.03 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 2bd3 s VAL 66 CO 0.01 0.57 -0.11 -0.69 0.00 0.00 0.00 175.10 174.88 2bd3 s VAL 67 N -0.37 2.97 0.22 2.92 1.01 0.03 -1.31 120.40 125.87 2bd3 s VAL 67 Ca 0.04 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 61.43 2bd3 s VAL 67 Cb -0.12 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2bd3 s VAL 67 CO 0.02 0.49 0.13 0.68 0.00 0.00 0.00 175.10 176.42 2bd3 s VAL 68 N 0.98 4.27 -1.05 2.92 -7.23 -0.52 -1.58 120.40 118.18 2bd3 s VAL 68 Ca -0.01 -1.37 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 2bd3 s VAL 68 Cb -0.15 -3.25 0.00 0.00 0.56 0.00 0.00 36.38 33.55 2bd3 s VAL 68 CO -0.01 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.13 2bd3 n GLY 69 N -0.78 0.47 3.85 2.32 0.00 -1.24 -1.29 105.19 108.53 2bd3 n GLY 69 Ca -0.08 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 2bd3 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bd3 s GLU 70 N -3.88 3.78 0.07 1.61 2.56 -1.26 -3.27 118.70 118.31 2bd3 s GLU 70 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.97 55.20 2bd3 s GLU 70 Cb 0.00 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 32.99 2bd3 s GLU 70 CO 0.00 0.66 0.00 1.58 -0.56 0.00 0.00 175.26 176.94 2bd3 n HIS 71 N 1.51 -0.43 -3.90 5.30 -0.00 -1.26 -4.93 115.22 111.51 2bd3 n HIS 71 Ca -0.13 0.08 -0.35 0.00 -0.00 0.00 0.00 57.72 57.32 2bd3 n HIS 71 Cb 0.53 0.24 -0.14 0.00 -0.00 0.00 0.00 29.99 30.62 2bd3 n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2bd3 s ASN 72 N -5.20 4.44 0.61 0.26 3.84 -1.26 -1.48 114.94 116.16 2bd3 s ASN 72 Ca 0.00 -0.59 0.39 0.00 0.21 0.00 0.00 52.86 52.87 2bd3 s ASN 72 Cb 0.00 -1.74 1.92 0.00 -0.55 0.00 0.00 41.25 40.88 2bd3 s ASN 72 CO 0.00 -0.08 2.19 -0.07 -2.79 0.00 0.00 177.10 176.34 2bd3 h LEU 73 N 8.10 0.00 -1.23 3.21 3.38 -1.04 -3.12 115.31 124.62 2bd3 h LEU 73 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2bd3 h LEU 73 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2bd3 h LEU 73 CO 0.60 0.00 -0.11 0.59 0.09 0.00 0.00 178.44 179.61 2bd3 n ASN 74 N -3.09 1.82 -3.89 -0.43 3.02 -1.26 -4.99 115.26 106.44 2bd3 n ASN 74 Ca -0.01 -1.41 -0.10 0.00 -0.03 0.00 0.00 54.58 53.02 2bd3 n ASN 74 Cb 0.19 0.19 -0.09 0.00 -0.61 0.00 0.00 39.78 39.46 2bd3 n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bd3 s GLN 75 N -1.32 0.56 -0.05 3.52 -2.07 -1.18 -5.12 119.66 114.00 2bd3 s GLN 75 Ca 0.14 -0.57 -0.30 0.00 -1.82 0.00 0.00 55.36 52.81 2bd3 s GLN 75 Cb 0.11 0.23 -0.05 0.00 -1.09 0.00 0.00 33.01 32.21 2bd3 s GLN 75 CO 0.23 -0.14 1.47 1.21 -1.32 0.00 0.00 175.29 176.74 2bd3 s ASN 76 N -1.78 6.80 0.06 12.60 2.47 -1.26 -4.61 114.94 129.22 2bd3 s ASN 76 Ca -0.10 2.09 0.22 0.00 0.42 0.00 0.00 52.86 55.50 2bd3 s ASN 76 Cb -0.04 -2.55 -0.09 0.00 -1.45 0.00 0.00 41.25 37.12 2bd3 s ASN 76 CO -0.02 -0.80 0.87 0.59 -3.72 0.00 0.00 177.10 174.02 2bd3 n ASN 77 N 6.20 0.51 0.00 -4.21 3.02 -1.26 -4.98 115.26 114.55 2bd3 n ASN 77 Ca 0.15 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 2bd3 n ASN 77 Cb 0.43 1.07 0.00 0.00 -0.61 0.00 0.00 39.78 40.67 2bd3 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bd3 n GLY 78 N 1.30 0.52 0.00 7.41 0.00 -1.26 -4.87 105.19 108.30 2bd3 n GLY 78 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bd3 n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bd3 n THR 79 N -2.94 0.00 -2.54 2.61 -2.24 -1.26 -5.09 114.28 102.82 2bd3 n THR 79 Ca 0.00 -0.25 -0.38 0.00 -2.27 0.00 0.00 64.05 61.15 2bd3 n THR 79 Cb 0.01 1.28 -0.04 0.00 -2.10 0.00 0.00 70.33 69.47 2bd3 n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2bd3 s GLU 80 N -0.22 4.41 -0.05 -0.78 8.01 -1.20 -4.48 118.70 124.39 2bd3 s GLU 80 Ca 0.00 1.62 0.05 0.00 0.01 0.00 0.00 54.97 56.65 2bd3 s GLU 80 Cb 0.00 -2.85 -0.01 0.00 -4.31 0.00 0.00 34.13 26.96 2bd3 s GLU 80 CO 0.00 0.06 -0.22 -0.65 0.01 0.00 0.00 175.26 174.46 2bd3 s GLN 81 N -1.98 2.19 -0.13 1.61 -0.21 -0.41 -5.00 119.66 115.73 2bd3 s GLN 81 Ca 0.51 -0.78 -0.01 0.00 0.02 0.00 0.00 55.36 55.11 2bd3 s GLN 81 Cb -0.26 -1.89 -0.02 0.00 1.00 0.00 0.00 33.01 31.85 2bd3 s GLN 81 CO 0.33 0.33 -0.11 0.71 -2.12 0.00 0.00 175.29 174.43 2bd3 s TYR 82 N -0.10 2.86 -0.06 0.91 1.51 -1.26 -1.43 117.35 119.77 2bd3 s TYR 82 Ca -0.03 -0.50 -0.04 0.00 -1.01 0.00 0.00 57.07 55.49 2bd3 s TYR 82 Cb -0.13 -1.85 0.02 0.00 -0.11 0.00 0.00 41.96 39.90 2bd3 s TYR 82 CO 0.03 -0.12 0.15 0.54 -1.11 0.00 0.00 175.55 175.04 2bd3 s VAL 83 N 0.22 -0.02 0.71 0.71 0.11 -0.43 -5.01 120.40 116.70 2bd3 s VAL 83 Ca -0.07 0.06 -0.15 0.00 -2.93 0.00 0.00 61.98 58.90 2bd3 s VAL 83 Cb -0.15 -0.23 0.03 0.00 -1.53 0.00 0.00 36.38 34.50 2bd3 s VAL 83 CO 0.05 0.03 1.16 -0.83 -3.33 0.00 0.00 175.10 172.17 2bd3 s GLY 84 N 0.48 2.22 -0.27 6.54 0.00 -1.26 -0.66 107.32 114.37 2bd3 s GLY 84 Ca -0.03 0.71 -0.18 0.00 0.00 0.00 0.00 44.72 45.22 2bd3 s GLY 84 CO -0.02 1.09 0.50 0.14 0.00 0.00 0.00 173.10 174.81 2bd3 s VAL 85 N -2.18 5.08 -0.09 1.40 1.01 -1.10 -0.98 120.40 123.53 2bd3 s VAL 85 Ca 0.71 0.81 0.05 0.00 0.00 0.00 0.00 61.98 63.55 2bd3 s VAL 85 Cb -0.25 -3.82 -0.24 0.00 0.00 0.00 0.00 36.38 32.07 2bd3 s VAL 85 CO 0.44 0.07 0.46 1.67 0.00 0.00 0.00 175.10 177.75 2bd3 n GLN 86 N 5.54 0.68 -3.76 2.72 7.27 0.43 -4.86 117.38 125.40 2bd3 n GLN 86 Ca -0.05 0.25 -0.13 0.00 0.07 0.00 0.00 57.00 57.15 2bd3 n GLN 86 Cb 0.50 -1.73 -0.11 0.00 2.41 0.00 0.00 30.24 31.31 2bd3 n GLN 86 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 2bd3 s LYS 87 N -2.57 0.35 -0.16 3.69 2.20 -1.06 -4.99 119.74 117.20 2bd3 s LYS 87 Ca -0.13 0.46 0.01 0.00 -0.36 0.00 0.00 55.97 55.95 2bd3 s LYS 87 Cb 0.07 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 2bd3 s LYS 87 CO 0.79 -0.06 -0.18 0.42 -0.36 0.00 0.00 175.35 175.97 2bd3 s ILE 88 N 0.31 2.41 -0.34 5.43 1.01 -1.26 -0.83 121.20 127.94 2bd3 s ILE 88 Ca -0.01 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.80 2bd3 s ILE 88 Cb -0.03 -2.01 0.09 0.00 0.01 0.00 0.00 42.46 40.52 2bd3 s ILE 88 CO -0.01 0.53 0.05 -0.69 0.00 0.00 0.00 174.94 174.81 2bd3 s VAL 89 N 0.91 2.56 0.30 2.92 1.01 0.19 -4.99 120.40 123.30 2bd3 s VAL 89 Ca -0.04 -2.04 -0.17 0.00 0.00 0.00 0.00 61.98 59.72 2bd3 s VAL 89 Cb -0.15 -2.74 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 2bd3 s VAL 89 CO -0.03 -0.46 0.76 -0.69 0.00 0.00 0.00 175.10 174.69 2bd3 s VAL 90 N 1.03 4.60 0.17 2.92 1.01 -1.26 -0.66 120.40 128.21 2bd3 s VAL 90 Ca 0.05 1.14 -0.33 0.00 0.00 0.00 0.00 61.98 62.84 2bd3 s VAL 90 Cb -0.20 -3.70 -0.14 0.00 0.00 0.00 0.00 36.38 32.34 2bd3 s VAL 90 CO -0.06 -0.07 1.56 1.57 0.00 0.00 0.00 175.10 178.10 2bd3 n HIS 91 N -0.02 2.28 0.24 5.22 -0.00 -0.76 -4.84 115.22 117.34 2bd3 n HIS 91 Ca 0.02 0.29 0.11 0.00 0.46 0.00 0.00 57.72 58.60 2bd3 n HIS 91 Cb 0.52 -2.53 0.56 0.00 -0.12 0.00 0.00 29.99 28.42 2bd3 n HIS 91 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2bd3 n PRO 92 N 3.21 0.16 0.00 1.57 -0.04 -1.26 -1.61 135.00 137.03 2bd3 n PRO 92 Ca 0.16 0.57 0.12 0.00 -0.04 0.00 0.00 63.50 64.31 2bd3 n PRO 92 Cb 0.29 -1.93 0.24 0.00 -0.04 0.00 0.00 33.50 32.06 2bd3 n PRO 92 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2bd3 n TYR 93 N -2.26 0.00 -1.75 0.54 0.53 -1.26 -4.96 117.16 108.00 2bd3 n TYR 93 Ca -0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.46 2bd3 n TYR 93 Cb 0.10 -0.05 -0.01 0.00 -1.03 0.00 0.00 39.34 38.35 2bd3 n TYR 93 CO 0.00 0.00 0.00 1.87 -1.02 0.00 0.00 176.86 177.71 2bd3 n TRP 94 N -0.10 2.82 -3.70 -0.72 -0.00 -0.63 -4.92 117.44 110.18 2bd3 n TRP 94 Ca 0.12 0.40 -0.24 0.00 -0.00 0.00 0.00 57.50 57.78 2bd3 n TRP 94 Cb 0.42 -2.53 -0.17 0.00 -0.00 0.00 0.00 31.31 29.02 2bd3 n TRP 94 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 2bd3 s ASN 95 N 0.06 2.00 0.59 5.87 2.47 -1.26 -5.02 114.94 119.64 2bd3 s ASN 95 Ca 0.57 -0.36 0.30 0.00 0.42 0.00 0.00 52.86 53.80 2bd3 s ASN 95 Cb -0.50 -0.37 1.77 0.00 -1.45 0.00 0.00 41.25 40.70 2bd3 s ASN 95 CO 0.58 -0.27 2.18 0.74 -3.72 0.00 0.00 177.10 176.62 2bd3 h THR 96 N 6.42 0.47 0.00 -5.21 2.02 -1.98 -1.03 112.91 113.60 2bd3 h THR 96 Ca -0.16 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.02 2bd3 h THR 96 Cb 1.13 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 2bd3 h THR 96 CO 0.26 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.62 2bd3 n ASP 97 N -3.79 0.00 -2.96 4.18 8.00 -1.26 -4.37 116.55 116.36 2bd3 n ASP 97 Ca -0.01 -0.22 -0.14 0.00 0.71 0.00 0.00 54.79 55.13 2bd3 n ASP 97 Cb 0.20 -0.25 0.02 0.00 -0.02 0.00 0.00 41.12 41.06 2bd3 n ASP 97 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2bd3 n ASP 98 N -1.25 -1.06 -2.15 -2.24 -0.08 -0.39 -5.08 116.55 104.30 2bd3 n ASP 98 Ca 0.15 -3.23 0.00 0.00 -1.51 0.00 0.00 54.79 50.20 2bd3 n ASP 98 Cb 0.22 0.68 0.00 0.00 2.34 0.00 0.00 41.12 44.36 2bd3 n ASP 98 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2bd3 n VAL 99 N 0.81 0.00 0.00 5.18 0.31 -1.25 -4.04 118.33 119.34 2bd3 n VAL 99 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 2bd3 n VAL 99 Cb 0.64 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 2bd3 n VAL 99 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bd3 n ALA 99 N 2.10 0.00 0.00 3.52 0.00 -1.26 -4.81 120.51 120.06 2bd3 n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2bd3 n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2bd3 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bd3 n GLY 100 N 0.00 -1.26 2.42 0.00 0.00 -1.26 -5.00 105.19 100.09 2bd3 n GLY 100 Ca 0.00 -1.97 -0.15 0.00 0.00 0.00 0.00 46.02 43.90 2bd3 n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bd3 n TYR 101 N 0.00 -0.08 -2.22 1.61 4.02 -1.26 -4.65 117.16 114.58 2bd3 n TYR 101 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 2bd3 n TYR 101 Cb 0.00 -2.71 0.00 0.00 -0.02 0.00 0.00 39.34 36.61 2bd3 n TYR 101 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2bd3 n ASP 102 N -0.49 4.48 -3.66 7.72 2.03 -1.26 -4.38 116.55 120.99 2bd3 n ASP 102 Ca -0.15 -2.89 -0.14 0.00 0.52 0.00 0.00 54.79 52.12 2bd3 n ASP 102 Cb 0.51 -1.70 -0.08 0.00 -0.72 0.00 0.00 41.12 39.13 2bd3 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2bd3 s ILE 103 N 3.69 0.01 0.04 5.18 2.07 -1.26 -3.91 121.20 127.01 2bd3 s ILE 103 Ca 0.51 -0.06 -0.14 0.00 -1.41 0.00 0.00 60.65 59.55 2bd3 s ILE 103 Cb 0.08 -0.82 0.02 0.00 0.13 0.00 0.00 42.46 41.88 2bd3 s ILE 103 CO 0.00 -0.03 0.30 0.00 -1.91 0.00 0.00 174.94 173.30 2bd3 s ALA 104 N -0.21 -0.67 -0.07 1.50 0.00 -0.14 -1.83 121.76 120.34 2bd3 s ALA 104 Ca -0.04 0.03 0.04 0.00 0.00 0.00 0.00 51.96 51.99 2bd3 s ALA 104 Cb -0.03 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 2bd3 s ALA 104 CO 0.03 -0.39 -0.20 -0.51 0.00 0.00 0.00 175.76 174.69 2bd3 s LEU 105 N -1.97 2.37 -0.18 0.00 1.43 0.16 -1.11 118.68 119.38 2bd3 s LEU 105 Ca -0.06 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 2bd3 s LEU 105 Cb -0.01 -1.47 -0.00 0.00 0.03 0.00 0.00 46.19 44.74 2bd3 s LEU 105 CO -0.02 0.26 -0.10 -0.76 0.23 0.00 0.00 176.35 175.95 2bd3 s LEU 106 N -0.22 2.68 -0.18 1.79 1.43 0.66 -0.64 118.68 124.21 2bd3 s LEU 106 Ca -0.01 -0.42 -0.21 0.00 -1.03 0.00 0.00 54.13 52.46 2bd3 s LEU 106 Cb -0.13 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 2bd3 s LEU 106 CO 0.03 0.04 0.64 -0.60 0.23 0.00 0.00 176.35 176.69 2bd3 s ARG 107 N 1.07 4.25 0.38 1.70 3.52 -0.01 -1.03 118.95 128.83 2bd3 s ARG 107 Ca 0.00 0.65 -0.21 0.00 -0.13 0.00 0.00 55.73 56.05 2bd3 s ARG 107 Cb -0.15 -3.56 -0.10 0.00 -1.56 0.00 0.00 34.95 29.59 2bd3 s ARG 107 CO -0.02 -0.19 0.89 -0.51 -0.81 0.00 0.00 175.30 174.66 2bd3 s LEU 108 N 1.74 4.06 0.48 -0.88 1.43 -0.05 -0.43 118.68 125.03 2bd3 s LEU 108 Ca 0.30 1.62 0.24 0.00 -1.03 0.00 0.00 54.13 55.26 2bd3 s LEU 108 Cb -0.16 -4.30 1.22 0.00 0.03 0.00 0.00 46.19 42.98 2bd3 s LEU 108 CO 0.11 -0.26 1.98 0.00 0.23 0.00 0.00 176.35 178.42 2bd3 h ALA 109 N 2.29 1.24 -2.63 4.21 0.00 -1.39 -3.43 119.26 119.55 2bd3 h ALA 109 Ca -0.48 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.01 2bd3 h ALA 109 Cb 1.18 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.77 2bd3 h ALA 109 CO 0.63 0.22 -0.72 -0.65 0.00 0.00 0.00 179.25 178.74 2bd3 s GLN 110 N -4.08 0.74 0.05 0.00 1.11 -1.26 -5.04 119.66 111.18 2bd3 s GLN 110 Ca -0.02 -1.12 -0.28 0.00 0.01 0.00 0.00 55.36 53.95 2bd3 s GLN 110 Cb 0.13 -0.30 -0.05 0.00 -1.01 0.00 0.00 33.01 31.78 2bd3 s GLN 110 CO 0.62 0.02 0.90 -1.12 0.01 0.00 0.00 175.29 175.72 2bd3 s SER 111 N -2.47 7.36 0.60 5.90 0.01 -1.26 -4.69 113.70 119.16 2bd3 s SER 111 Ca 0.04 1.64 -0.09 0.00 1.31 0.00 0.00 55.95 58.85 2bd3 s SER 111 Cb -0.01 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 2bd3 s SER 111 CO -0.02 -0.10 0.96 0.68 0.41 0.00 0.00 173.24 175.17 2bd3 s VAL 112 N 0.31 4.15 -0.16 3.43 -7.23 -0.35 -4.98 120.40 115.58 2bd3 s VAL 112 Ca 0.46 0.40 -0.15 0.00 -1.81 0.00 0.00 61.98 60.88 2bd3 s VAL 112 Cb -0.22 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.02 2bd3 s VAL 112 CO 0.27 -0.77 0.34 -0.89 -0.31 0.00 0.00 175.10 173.74 2bd3 s THR 113 N -3.08 5.27 0.24 5.32 2.01 -1.26 -4.86 115.64 119.28 2bd3 s THR 113 Ca 0.54 0.64 -0.17 0.00 0.31 0.00 0.00 61.69 63.01 2bd3 s THR 113 Cb -0.11 -3.68 -0.08 0.00 0.01 0.00 0.00 72.50 68.65 2bd3 s THR 113 CO 0.49 0.36 0.68 -0.76 -0.69 0.00 0.00 174.62 174.71 2bd3 s LEU 114 N 0.59 4.25 0.00 4.42 1.43 -1.26 -4.80 118.68 123.31 2bd3 s LEU 114 Ca 0.18 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.56 2bd3 s LEU 114 Cb -0.14 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.40 2bd3 s LEU 114 CO 0.05 -0.03 0.00 -0.46 0.23 0.00 0.00 176.35 176.14 2bd3 n ASN 115 N 0.35 0.00 0.32 2.29 0.23 -0.37 -4.97 115.26 113.11 2bd3 n ASN 115 Ca -0.01 -0.58 0.19 0.00 -0.53 0.00 0.00 54.58 53.66 2bd3 n ASN 115 Cb 0.52 0.00 1.09 0.00 -2.08 0.00 0.00 39.78 39.31 2bd3 n ASN 115 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2bd3 h SER 116 N 0.00 0.00 -0.00 0.53 0.02 -1.99 -2.34 113.55 109.76 2bd3 h SER 116 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2bd3 h SER 116 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2bd3 h SER 116 CO 0.00 0.00 -0.72 -1.22 -1.14 0.00 0.00 176.83 173.75 2bd3 n TYR 117 N -3.42 0.00 -3.54 3.45 4.02 -1.26 -4.74 117.16 111.67 2bd3 n TYR 117 Ca -0.03 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.60 2bd3 n TYR 117 Cb 0.08 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.25 2bd3 n TYR 117 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2bd3 s VAL 118 N -2.57 -0.13 0.05 -0.72 1.01 -0.88 -3.69 120.40 113.47 2bd3 s VAL 118 Ca 0.10 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 2bd3 s VAL 118 Cb 0.14 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 2bd3 s VAL 118 CO 0.67 -0.53 -0.04 -1.10 0.00 0.00 0.00 175.10 174.10 2bd3 s GLN 119 N 2.16 0.56 0.23 2.72 -1.52 -0.62 -1.24 119.66 121.96 2bd3 s GLN 119 Ca 0.07 -1.06 -0.30 0.00 -1.95 0.00 0.00 55.36 52.12 2bd3 s GLN 119 Cb -0.16 0.10 -0.09 0.00 -0.22 0.00 0.00 33.01 32.64 2bd3 s GLN 119 CO -0.27 -0.07 1.09 -0.51 -0.25 0.00 0.00 175.29 175.28 2bd3 s LEU 120 N -2.50 4.53 0.30 2.90 1.43 -1.26 -3.48 118.68 120.59 2bd3 s LEU 120 Ca 0.01 2.17 -0.29 0.00 -1.03 0.00 0.00 54.13 55.00 2bd3 s LEU 120 Cb 0.02 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.53 2bd3 s LEU 120 CO -0.06 -0.15 1.10 -0.83 0.23 0.00 0.00 176.35 176.63 2bd3 s GLY 121 N -0.58 3.02 -0.06 -3.19 0.00 0.88 -4.86 107.32 102.52 2bd3 s GLY 121 Ca 0.46 0.88 -0.22 0.00 0.00 0.00 0.00 44.72 45.84 2bd3 s GLY 121 CO 0.38 1.46 0.64 0.14 0.00 0.00 0.00 173.10 175.71 2bd3 s VAL 122 N -1.24 5.05 0.06 1.40 1.01 -1.26 -4.80 120.40 120.62 2bd3 s VAL 122 Ca 0.47 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.77 2bd3 s VAL 122 Cb -0.31 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2bd3 s VAL 122 CO 0.39 0.30 0.18 -0.76 0.00 0.00 0.00 175.10 175.21 2bd3 s LEU 123 N 0.58 4.23 0.86 3.92 1.43 -1.26 -0.50 118.68 127.93 2bd3 s LEU 123 Ca 0.34 0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 53.54 2bd3 s LEU 123 Cb -0.17 -2.83 0.11 0.00 0.03 0.00 0.00 46.19 43.33 2bd3 s LEU 123 CO 0.16 0.17 1.09 -2.16 0.23 0.00 0.00 176.35 175.85 2bd3 s PRO 124 N -2.45 1.52 0.51 1.29 0.04 -1.26 -4.90 135.00 129.74 2bd3 s PRO 124 Ca 0.33 1.02 -0.22 0.00 0.04 0.00 0.00 61.00 62.17 2bd3 s PRO 124 Cb -0.13 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 2bd3 s PRO 124 CO 0.26 -2.12 1.24 -0.98 0.04 0.00 0.00 177.00 175.45 2bd3 s ARG 125 N -4.88 3.41 0.19 4.56 3.03 -1.26 -4.81 118.95 119.19 2bd3 s ARG 125 Ca 0.63 1.95 -0.33 0.00 2.03 0.00 0.00 55.73 60.02 2bd3 s ARG 125 Cb -0.18 -2.27 -0.15 0.00 -1.03 0.00 0.00 34.95 31.31 2bd3 s ARG 125 CO 0.57 -0.89 1.28 0.00 -1.13 0.00 0.00 175.30 175.13 2bd3 n ALA 126 N -0.86 -0.05 -0.08 7.88 0.00 -1.26 -2.14 120.51 124.00 2bd3 n ALA 126 Ca 0.09 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2bd3 n ALA 126 Cb 0.47 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2bd3 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bd3 n GLY 127 N 2.17 1.97 3.73 0.00 0.00 0.16 -5.00 105.19 108.21 2bd3 n GLY 127 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2bd3 n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bd3 s THR 128 N -2.79 2.32 -0.08 2.61 2.01 -0.91 -5.00 115.64 113.81 2bd3 s THR 128 Ca 0.00 0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.28 2bd3 s THR 128 Cb 0.00 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.35 2bd3 s THR 128 CO 0.00 0.02 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.12 2bd3 s ILE 129 N 0.81 1.76 0.30 1.82 -1.09 -1.26 -4.77 121.20 118.77 2bd3 s ILE 129 Ca 0.69 -0.87 -0.27 0.00 -2.23 0.00 0.00 60.65 57.97 2bd3 s ILE 129 Cb -0.46 -1.53 -0.09 0.00 -1.58 0.00 0.00 42.46 38.80 2bd3 s ILE 129 CO 0.36 0.49 0.97 -0.76 -1.23 0.00 0.00 174.94 174.77 2bd3 s LEU 130 N 0.26 4.43 0.69 2.97 1.43 -1.26 -5.03 118.68 122.18 2bd3 s LEU 130 Ca -0.13 1.94 -0.17 0.00 -1.03 0.00 0.00 54.13 54.74 2bd3 s LEU 130 Cb -0.16 -3.87 0.02 0.00 0.03 0.00 0.00 46.19 42.21 2bd3 s LEU 130 CO 0.06 -0.05 1.27 0.00 0.23 0.00 0.00 176.35 177.86 2bd3 s ALA 131 N -1.44 2.22 0.37 4.21 0.00 -1.26 -4.89 121.76 120.96 2bd3 s ALA 131 Ca 0.48 1.12 -0.26 0.00 0.00 0.00 0.00 51.96 53.30 2bd3 s ALA 131 Cb -0.23 -3.54 -0.12 0.00 0.00 0.00 0.00 23.12 19.24 2bd3 s ALA 131 CO 0.28 -1.81 1.07 -1.71 0.00 0.00 0.00 175.76 173.59 2bd3 n ASN 132 N -2.30 1.58 -1.47 0.00 5.15 -1.26 -2.54 115.26 114.40 2bd3 n ASN 132 Ca 0.15 1.11 -0.13 0.00 -0.60 0.00 0.00 54.58 55.11 2bd3 n ASN 132 Cb 0.49 -1.36 -0.01 0.00 -0.53 0.00 0.00 39.78 38.36 2bd3 n ASN 132 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2bd3 n ASN 133 N 0.74 -4.24 -4.77 1.20 5.15 0.16 -4.94 115.26 108.57 2bd3 n ASN 133 Ca 0.08 0.03 -0.39 0.00 -0.60 0.00 0.00 54.58 53.71 2bd3 n ASN 133 Cb 0.37 -3.35 -0.04 0.00 -0.53 0.00 0.00 39.78 36.23 2bd3 n ASN 133 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2bd3 s SER 134 N -2.45 6.95 -0.08 1.20 0.01 -1.05 -4.59 113.70 113.68 2bd3 s SER 134 Ca 0.00 2.22 -0.30 0.00 1.31 0.00 0.00 55.95 59.18 2bd3 s SER 134 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 2bd3 s SER 134 CO 0.00 -0.37 1.44 -2.16 0.41 0.00 0.00 173.24 172.57 2bd3 s PRO 135 N -1.96 4.23 0.07 12.44 0.04 -1.26 -1.05 135.00 147.50 2bd3 s PRO 135 Ca 0.51 1.93 -0.04 0.00 0.04 0.00 0.00 61.00 63.45 2bd3 s PRO 135 Cb -0.29 -3.80 -0.03 0.00 0.04 0.00 0.00 34.50 30.42 2bd3 s PRO 135 CO 0.36 -0.73 0.05 0.00 0.04 0.00 0.00 177.00 176.73 2bd3 s TYR 137 N -3.91 2.20 0.11 0.00 1.51 0.43 -0.67 117.35 117.03 2bd3 s TYR 137 Ca 0.07 -0.65 -0.17 0.00 -1.01 0.00 0.00 57.07 55.31 2bd3 s TYR 137 Cb 0.07 -1.46 -0.07 0.00 -0.11 0.00 0.00 41.96 40.39 2bd3 s TYR 137 CO -0.10 -0.20 0.57 -1.50 -1.11 0.00 0.00 175.55 173.21 2bd3 s ILE 138 N -0.09 4.78 0.09 2.71 2.07 -0.20 -0.68 121.20 129.88 2bd3 s ILE 138 Ca -0.04 1.05 0.07 0.00 -1.41 0.00 0.00 60.65 60.32 2bd3 s ILE 138 Cb -0.13 -3.82 -0.03 0.00 0.13 0.00 0.00 42.46 38.61 2bd3 s ILE 138 CO 0.03 0.40 -0.18 0.42 -1.91 0.00 0.00 174.94 173.70 2bd3 s THR 139 N -1.29 1.44 0.00 4.00 -4.23 -1.20 -1.36 115.64 113.00 2bd3 s THR 139 Ca 0.34 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 2bd3 s THR 139 Cb -0.17 -1.34 0.00 0.00 1.34 0.00 0.00 72.50 72.33 2bd3 s THR 139 CO 0.19 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 2bd3 n GLY 140 N 1.17 -0.23 1.14 3.99 0.00 -0.51 -4.49 105.19 106.25 2bd3 n GLY 140 Ca -0.20 -1.12 0.08 0.00 0.00 0.00 0.00 46.02 44.78 2bd3 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2bd3 n TRP 141 N -0.57 1.05 -0.52 1.61 8.01 -1.26 -1.58 117.44 124.18 2bd3 n TRP 141 Ca 0.00 -0.65 -0.30 0.00 -1.31 0.00 0.00 57.50 55.24 2bd3 n TRP 141 Cb 0.00 -0.20 0.28 0.00 -2.01 0.00 0.00 31.31 29.38 2bd3 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2bd3 s GLY 142 N -1.20 1.46 0.41 6.99 0.00 -1.25 -1.53 107.32 112.20 2bd3 s GLY 142 Ca 0.41 -0.76 -0.25 0.00 0.00 0.00 0.00 44.72 44.12 2bd3 s GLY 142 CO 0.18 0.19 1.08 1.04 0.00 0.00 0.00 173.10 175.59 2bd3 n LEU 143 N -5.41 2.96 -0.47 0.66 4.77 0.64 -2.27 117.00 117.88 2bd3 n LEU 143 Ca 0.12 1.06 0.12 0.00 -0.03 0.00 0.00 56.01 57.28 2bd3 n LEU 143 Cb 0.59 -1.39 0.22 0.00 -2.33 0.00 0.00 43.42 40.51 2bd3 n LEU 143 CO 0.45 -1.25 0.55 0.35 -1.33 0.00 0.00 177.39 176.16 2bd3 n THR 144 N -0.38 0.00 -3.74 -5.08 -2.24 -0.81 -0.91 114.28 101.11 2bd3 n THR 144 Ca 0.09 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 2bd3 n THR 144 Cb 0.39 0.89 -0.07 0.00 -2.10 0.00 0.00 70.33 69.43 2bd3 n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2bd3 s ARG 145 N -2.35 0.80 0.16 -0.78 0.52 -1.26 -4.23 118.95 111.80 2bd3 s ARG 145 Ca 0.25 -0.43 -0.34 0.00 -0.52 0.00 0.00 55.73 54.69 2bd3 s ARG 145 Cb 0.19 0.35 -0.14 0.00 0.52 0.00 0.00 34.95 35.87 2bd3 s ARG 145 CO 0.48 -0.25 1.56 2.41 0.02 0.00 0.00 175.30 179.52 2bd3 n THR 147 N 0.69 0.03 -2.33 0.02 -1.04 -1.26 -0.74 114.28 109.64 2bd3 n THR 147 Ca -0.19 -0.01 -0.18 0.00 -2.04 0.00 0.00 64.05 61.63 2bd3 n THR 147 Cb 0.59 -1.49 -0.01 0.00 -1.82 0.00 0.00 70.33 67.59 2bd3 n THR 147 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2bd3 n ASN 148 N 3.33 -5.17 -0.07 8.00 3.02 -1.26 -4.96 115.26 118.14 2bd3 n ASN 148 Ca 0.17 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 2bd3 n ASN 148 Cb 0.28 -4.36 0.00 0.00 -0.61 0.00 0.00 39.78 35.10 2bd3 n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bd3 n GLY 149 N -0.89 1.83 3.25 7.41 0.00 0.08 -5.14 105.19 111.73 2bd3 n GLY 149 Ca -0.21 -1.76 -0.16 0.00 0.00 0.00 0.00 46.02 43.89 2bd3 n GLY 149 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2bd3 s GLN 150 N 4.33 1.06 0.69 1.61 -2.07 -1.26 -4.93 119.66 119.10 2bd3 s GLN 150 Ca 0.00 -1.35 -0.17 0.00 -1.82 0.00 0.00 55.36 52.02 2bd3 s GLN 150 Cb 0.00 -0.80 0.01 0.00 -1.09 0.00 0.00 33.01 31.12 2bd3 s GLN 150 CO 0.00 0.13 1.17 1.28 -1.32 0.00 0.00 175.29 176.55 2bd3 n LEU 151 N 0.16 4.94 -4.77 2.60 4.77 -1.26 -1.93 117.00 121.50 2bd3 n LEU 151 Ca -0.13 0.75 -0.37 0.00 -0.03 0.00 0.00 56.01 56.23 2bd3 n LEU 151 Cb 0.59 -1.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.17 2bd3 n LEU 151 CO 0.30 -1.45 0.81 0.00 -1.33 0.00 0.00 177.39 175.71 2bd3 s ALA 152 N -1.62 2.97 -0.05 -1.18 0.00 -0.58 -4.82 121.76 116.47 2bd3 s ALA 152 Ca 0.78 0.88 -0.24 0.00 0.00 0.00 0.00 51.96 53.39 2bd3 s ALA 152 Cb -0.36 -3.36 -0.26 0.00 0.00 0.00 0.00 23.12 19.14 2bd3 s ALA 152 CO 0.45 -0.59 0.97 1.96 0.00 0.00 0.00 175.76 178.55 2bd3 h GLN 153 N 2.05 0.22 -6.04 0.00 4.20 -1.94 -3.45 115.11 110.14 2bd3 h GLN 153 Ca -0.49 -0.27 -0.64 0.00 0.06 0.00 0.00 58.65 57.30 2bd3 h GLN 153 Cb 1.24 0.09 -0.08 0.00 0.30 0.00 0.00 27.48 29.03 2bd3 h GLN 153 CO 0.60 1.04 -0.57 0.95 -0.67 0.00 0.00 178.83 180.18 2bd3 s THR 154 N -2.85 4.78 0.20 -0.54 -4.23 -1.26 -0.40 115.64 111.34 2bd3 s THR 154 Ca -0.15 -0.52 -0.33 0.00 -1.18 0.00 0.00 61.69 59.51 2bd3 s THR 154 Cb 0.01 -3.25 -0.13 0.00 1.34 0.00 0.00 72.50 70.46 2bd3 s THR 154 CO 0.77 0.24 1.53 -0.11 -0.54 0.00 0.00 174.62 176.51 2bd3 n LEU 155 N 0.80 3.21 -4.71 4.79 7.94 -0.55 -4.84 117.00 123.64 2bd3 n LEU 155 Ca -0.10 1.11 -0.27 0.00 -1.11 0.00 0.00 56.01 55.64 2bd3 n LEU 155 Cb 0.52 -1.44 -0.07 0.00 0.53 0.00 0.00 43.42 42.96 2bd3 n LEU 155 CO 0.42 -0.31 -0.30 -1.10 -1.11 0.00 0.00 177.39 175.00 2bd3 s GLN 156 N 0.41 2.57 0.07 1.96 -1.52 -0.61 -1.20 119.66 121.33 2bd3 s GLN 156 Ca 0.74 -1.02 0.06 0.00 -1.95 0.00 0.00 55.36 53.19 2bd3 s GLN 156 Cb -0.65 -2.46 -0.03 0.00 -0.22 0.00 0.00 33.01 29.65 2bd3 s GLN 156 CO 0.42 0.47 -0.15 1.14 -0.25 0.00 0.00 175.29 176.92 2bd3 s GLN 157 N -2.95 0.92 0.00 2.91 -2.07 0.08 -1.43 119.66 117.12 2bd3 s GLN 157 Ca 0.28 -0.93 0.00 0.00 -1.82 0.00 0.00 55.36 52.90 2bd3 s GLN 157 Cb -0.10 -0.97 -0.00 0.00 -1.09 0.00 0.00 33.01 30.85 2bd3 s GLN 157 CO 0.20 0.23 -0.01 0.00 -1.32 0.00 0.00 175.29 174.38 2bd3 s ALA 158 N -1.12 0.11 -0.26 2.60 0.00 -0.47 -0.51 121.76 122.12 2bd3 s ALA 158 Ca 0.01 -0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.58 2bd3 s ALA 158 Cb -0.09 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.02 2bd3 s ALA 158 CO 0.02 0.01 1.11 -0.47 0.00 0.00 0.00 175.76 176.43 2bd3 s TYR 159 N -0.13 3.14 -0.35 0.00 5.04 -1.26 -1.03 117.35 122.75 2bd3 s TYR 159 Ca -0.01 1.24 -0.00 0.00 -2.44 0.00 0.00 57.07 55.87 2bd3 s TYR 159 Cb -0.01 -3.53 0.12 0.00 0.35 0.00 0.00 41.96 38.89 2bd3 s TYR 159 CO -0.00 -0.87 0.17 -0.51 -1.34 0.00 0.00 175.55 173.00 2bd3 s LEU 160 N 3.53 1.81 0.44 6.97 1.43 0.16 -4.95 118.68 128.07 2bd3 s LEU 160 Ca 0.47 -2.01 -0.24 0.00 -1.03 0.00 0.00 54.13 51.32 2bd3 s LEU 160 Cb -0.15 -0.72 -0.08 0.00 0.03 0.00 0.00 46.19 45.27 2bd3 s LEU 160 CO 0.12 -0.35 1.24 -2.84 0.23 0.00 0.00 176.35 174.76 2bd3 s PRO 161 N 1.18 3.79 0.72 1.29 0.02 -1.26 -3.74 135.00 137.00 2bd3 s PRO 161 Ca 0.14 1.98 -0.14 0.00 0.02 0.00 0.00 61.00 63.00 2bd3 s PRO 161 Cb -0.21 -2.55 0.04 0.00 0.02 0.00 0.00 34.50 31.80 2bd3 s PRO 161 CO -0.13 -0.58 1.17 0.95 -0.33 0.00 0.00 177.00 178.08 2bd3 s THR 162 N -1.39 2.61 -0.21 0.99 -4.23 -0.22 -1.21 115.64 111.98 2bd3 s THR 162 Ca 0.61 0.28 0.02 0.00 -1.18 0.00 0.00 61.69 61.42 2bd3 s THR 162 Cb -0.34 -2.79 0.04 0.00 1.34 0.00 0.00 72.50 70.75 2bd3 s THR 162 CO 0.42 -0.18 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.51 2bd3 s VAL 163 N -2.18 1.90 0.98 2.29 1.01 -0.27 -0.66 120.40 123.47 2bd3 s VAL 163 Ca 0.71 -1.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 2bd3 s VAL 163 Cb -0.26 -1.92 0.18 0.00 0.00 0.00 0.00 36.38 34.38 2bd3 s VAL 163 CO 0.45 0.20 1.08 1.51 0.00 0.00 0.00 175.10 178.35 2bd3 s ASP 164 N 1.28 2.66 0.21 3.32 1.47 -1.26 -4.04 116.67 120.31 2bd3 s ASP 164 Ca -0.02 1.60 -0.10 0.00 1.18 0.00 0.00 52.55 55.21 2bd3 s ASP 164 Cb -0.17 -2.26 0.29 0.00 -0.34 0.00 0.00 42.92 40.44 2bd3 s ASP 164 CO -0.08 -3.17 1.70 0.22 0.68 0.00 0.00 175.17 174.52 2bd3 h TYR 165 N -1.91 0.18 -0.62 2.11 3.20 -1.94 0.29 116.97 118.28 2bd3 h TYR 165 Ca -0.52 0.04 0.08 0.00 3.14 0.00 0.00 58.73 61.46 2bd3 h TYR 165 Cb 1.30 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 39.52 2bd3 h TYR 165 CO 0.39 -0.04 0.29 0.00 -1.64 0.00 0.00 178.16 177.16 2bd3 h ALA 166 N 1.48 0.82 -0.03 1.82 0.00 -1.97 0.41 119.26 121.80 2bd3 h ALA 166 Ca 0.31 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 2bd3 h ALA 166 Cb 0.46 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2bd3 h ALA 166 CO -0.41 -0.09 -0.41 0.82 0.00 0.00 0.00 179.25 179.16 2bd3 h ILE 167 N 0.53 1.46 -0.19 0.00 2.04 -1.77 -3.32 117.51 116.26 2bd3 h ILE 167 Ca 0.30 -1.92 -0.06 0.00 1.00 0.00 0.00 64.86 64.17 2bd3 h ILE 167 Cb 0.28 2.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 2bd3 h ILE 167 CO -0.24 0.55 -0.17 0.00 0.00 0.00 0.00 178.15 178.29 2bd3 n SER 169 N -4.21 6.30 0.00 0.00 3.41 0.11 -0.69 113.62 118.53 2bd3 n SER 169 Ca -0.00 -3.21 0.00 0.00 -0.26 0.00 0.00 58.87 55.39 2bd3 n SER 169 Cb 0.32 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 2bd3 n SER 169 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2bd3 n SER 170 N 2.55 0.00 0.00 4.04 3.41 -1.26 -3.50 113.62 118.86 2bd3 n SER 170 Ca 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 2bd3 n SER 170 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 2bd3 n SER 170 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2bd3 n TYR 171 N 0.00 0.00 1.06 7.33 4.02 -1.26 -4.82 117.16 123.49 2bd3 n TYR 171 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.00 2bd3 n TYR 171 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.42 2bd3 n TYR 171 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 2bd3 n TRP 172 N 0.00 0.00 -3.95 -0.72 7.02 0.13 -4.87 117.44 115.05 2bd3 n TRP 172 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2bd3 n TRP 172 Cb 0.00 -0.07 0.00 0.00 -2.42 0.00 0.00 31.31 28.82 2bd3 n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2bd3 n GLY 173 N 1.44 2.37 0.05 6.99 0.00 -1.23 -2.22 105.19 112.58 2bd3 n GLY 173 Ca 0.08 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.79 2bd3 n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bd3 n SER 174 N -0.22 0.23 -0.03 1.61 3.41 -1.26 -3.05 113.62 114.29 2bd3 n SER 174 Ca 0.00 0.56 -0.05 0.00 -0.26 0.00 0.00 58.87 59.12 2bd3 n SER 174 Cb 0.00 -0.61 0.16 0.00 -0.26 0.00 0.00 64.21 63.50 2bd3 n SER 174 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2bd3 h THR 175 N 0.00 1.26 -3.41 6.66 2.02 -1.82 -3.42 112.91 114.21 2bd3 h THR 175 Ca 0.00 -1.26 -0.55 0.00 0.77 0.00 0.00 66.41 65.38 2bd3 h THR 175 Cb 0.24 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 2bd3 h THR 175 CO 0.00 0.41 0.10 -0.69 0.37 0.00 0.00 175.52 175.71 2bd3 s VAL 176 N -4.60 4.56 0.31 3.16 1.01 -1.17 -4.76 120.40 118.91 2bd3 s VAL 176 Ca -0.08 1.52 0.10 0.00 0.00 0.00 0.00 61.98 63.52 2bd3 s VAL 176 Cb 0.14 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 2bd3 s VAL 176 CO 0.81 0.51 -0.02 -0.54 0.00 0.00 0.00 175.10 175.86 2bd3 s LYS 177 N -0.93 2.11 0.07 2.72 -0.14 -1.26 -4.88 119.74 117.43 2bd3 s LYS 177 Ca 0.34 -1.62 0.14 0.00 -1.36 0.00 0.00 55.97 53.46 2bd3 s LYS 177 Cb -0.21 -2.00 0.61 0.00 -1.68 0.00 0.00 37.83 34.54 2bd3 s LYS 177 CO 0.23 0.24 1.44 -1.71 -0.76 0.00 0.00 175.35 174.79 2bd3 n ASN 178 N -0.90 0.16 -0.41 2.83 5.15 -1.26 -1.35 115.26 119.48 2bd3 n ASN 178 Ca -0.05 0.55 0.03 0.00 -0.60 0.00 0.00 54.58 54.51 2bd3 n ASN 178 Cb 0.61 -0.58 0.09 0.00 -0.53 0.00 0.00 39.78 39.37 2bd3 n ASN 178 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2bd3 n SER 179 N -1.69 1.19 -4.40 1.20 3.41 -1.26 -4.86 113.62 107.22 2bd3 n SER 179 Ca 0.02 -2.01 -0.22 0.00 -0.26 0.00 0.00 58.87 56.40 2bd3 n SER 179 Cb 0.14 -0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 63.83 2bd3 n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2bd3 s MET 180 N -1.71 1.47 -0.11 4.33 -1.94 -0.46 -0.78 119.30 120.10 2bd3 s MET 180 Ca 0.14 -1.61 0.01 0.00 -1.71 0.00 0.00 55.69 52.52 2bd3 s MET 180 Cb 0.08 -1.48 -0.02 0.00 2.01 0.00 0.00 34.83 35.42 2bd3 s MET 180 CO 0.09 0.28 -0.14 0.08 -0.01 0.00 0.00 175.02 175.32 2bd3 s VAL 181 N -2.49 2.97 -0.07 -6.03 1.01 0.40 -4.69 120.40 111.50 2bd3 s VAL 181 Ca 0.24 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 2bd3 s VAL 181 Cb -0.04 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2bd3 s VAL 181 CO 0.10 0.54 0.15 0.00 0.00 0.00 0.00 175.10 175.89 2bd3 s ALA 183 N -1.14 -0.86 0.00 0.00 0.00 -0.31 -1.11 121.76 118.34 2bd3 s ALA 183 Ca 0.20 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.09 2bd3 s ALA 183 Cb -0.12 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.48 2bd3 s ALA 183 CO 0.10 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.09 2bd3 n GLY 184 N 2.76 0.88 1.65 0.00 0.00 -0.35 -1.20 105.19 108.93 2bd3 n GLY 184 Ca -0.14 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2bd3 n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bd3 n GLY 185 N 0.00 0.51 0.01 -0.02 0.00 -1.26 -4.66 105.19 99.77 2bd3 n GLY 185 Ca 0.00 -0.70 0.14 0.00 0.00 0.00 0.00 46.02 45.46 2bd3 n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bd3 n ASP 186 N 1.28 0.11 0.00 1.61 3.85 -1.26 -1.21 116.55 120.92 2bd3 n ASP 186 Ca 0.00 0.19 0.00 0.00 -0.71 0.00 0.00 54.79 54.27 2bd3 n ASP 186 Cb 0.00 -0.32 0.00 0.00 -1.35 0.00 0.00 41.12 39.45 2bd3 n ASP 186 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2bd3 n GLY 187 N 1.44 0.84 0.64 6.12 0.00 -1.26 -4.76 105.19 108.22 2bd3 n GLY 187 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 2bd3 n GLY 187 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2bd3 n VAL 188 N -2.00 0.03 -4.66 1.61 0.31 -1.26 -4.60 118.33 107.76 2bd3 n VAL 188 Ca 0.00 -0.01 -0.32 0.00 -0.01 0.00 0.00 64.34 64.00 2bd3 n VAL 188 Cb 0.00 -1.17 -0.12 0.00 -0.91 0.00 0.00 33.84 31.64 2bd3 n VAL 188 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2bd3 s ARG 188 N -2.01 2.40 -0.04 5.55 0.52 -1.26 -3.70 118.95 120.42 2bd3 s ARG 188 Ca -0.01 -0.78 -0.31 0.00 -0.52 0.00 0.00 55.73 54.11 2bd3 s ARG 188 Cb 0.00 -2.37 0.11 0.00 0.52 0.00 0.00 34.95 33.21 2bd3 s ARG 188 CO 0.01 0.59 1.14 -1.54 0.02 0.00 0.00 175.30 175.52 2bd3 s SER 189 N -1.18 -0.16 0.97 0.23 1.04 -0.64 -4.38 113.70 109.59 2bd3 s SER 189 Ca 0.14 -0.12 -0.12 0.00 0.48 0.00 0.00 55.95 56.33 2bd3 s SER 189 Cb -0.11 0.25 0.17 0.00 0.10 0.00 0.00 66.02 66.44 2bd3 s SER 189 CO 0.04 -0.44 1.10 -0.83 0.98 0.00 0.00 173.24 174.10 2bd3 s GLY 190 N -2.64 1.57 0.33 7.32 0.00 -1.26 -0.82 107.32 111.82 2bd3 s GLY 190 Ca 0.11 -0.39 -0.17 0.00 0.00 0.00 0.00 44.72 44.27 2bd3 s GLY 190 CO -0.04 0.20 0.73 0.00 0.00 0.00 0.00 173.10 174.00 2bd3 n GLN 192 N -0.49 1.90 0.00 0.00 3.00 -1.26 -1.11 117.38 119.41 2bd3 n GLN 192 Ca -0.06 0.68 0.00 0.00 -0.01 0.00 0.00 57.00 57.61 2bd3 n GLN 192 Cb 0.60 -2.32 0.00 0.00 0.00 0.00 0.00 30.24 28.51 2bd3 n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2bd3 n GLY 193 N 2.30 2.04 0.10 1.08 0.00 -1.26 -0.26 105.19 109.19 2bd3 n GLY 193 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 2bd3 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bd3 n ASP 194 N 0.00 0.81 -4.47 1.61 8.00 -0.27 -3.65 116.55 118.58 2bd3 n ASP 194 Ca 0.00 0.27 -0.44 0.00 0.71 0.00 0.00 54.79 55.33 2bd3 n ASP 194 Cb 0.00 0.45 -0.01 0.00 -0.02 0.00 0.00 41.12 41.54 2bd3 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2bd3 n SER 195 N -2.56 -0.48 0.00 -2.24 7.64 -1.26 -1.64 113.62 113.08 2bd3 n SER 195 Ca 0.00 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.92 2bd3 n SER 195 Cb 0.53 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2bd3 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bd3 n GLY 196 N 1.72 3.01 3.90 0.23 0.00 0.76 -0.21 105.19 114.59 2bd3 n GLY 196 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2bd3 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bd3 s GLY 197 N -1.42 1.80 0.38 -0.02 0.00 -0.65 -3.26 107.32 104.15 2bd3 s GLY 197 Ca 0.00 -1.29 -0.16 0.00 0.00 0.00 0.00 44.72 43.27 2bd3 s GLY 197 CO 0.00 -0.45 0.82 2.56 0.00 0.00 0.00 173.10 176.03 2bd3 s PRO 198 N -5.91 4.01 -0.24 2.90 0.04 -1.26 -0.45 135.00 134.09 2bd3 s PRO 198 Ca 0.76 0.77 -0.04 0.00 0.04 0.00 0.00 61.00 62.53 2bd3 s PRO 198 Cb -0.03 -2.33 -0.00 0.00 0.04 0.00 0.00 34.50 32.18 2bd3 s PRO 198 CO 0.54 0.04 -0.01 -1.17 0.04 0.00 0.00 177.00 176.43 2bd3 s LEU 199 N -3.29 3.14 -0.25 -3.56 2.96 -0.44 -3.26 118.68 113.98 2bd3 s LEU 199 Ca 0.56 -0.49 -0.10 0.00 -0.22 0.00 0.00 54.13 53.87 2bd3 s LEU 199 Cb -0.10 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 2bd3 s LEU 199 CO 0.20 -0.06 0.16 -1.00 -1.32 0.00 0.00 176.35 174.33 2bd3 s HIS 200 N 1.47 3.26 -0.01 5.38 3.76 0.14 -0.91 115.29 128.38 2bd3 s HIS 200 Ca 0.05 0.13 0.06 0.00 -0.15 0.00 0.00 55.06 55.14 2bd3 s HIS 200 Cb -0.15 -2.31 -0.02 0.00 1.11 0.00 0.00 32.58 31.22 2bd3 s HIS 200 CO -0.02 -0.05 -0.19 0.00 -0.85 0.00 0.00 174.74 173.62 2bd3 s LEU 202 N -0.55 4.07 -0.06 0.00 2.96 -1.02 -1.47 118.68 122.62 2bd3 s LEU 202 Ca 0.07 0.85 -0.00 0.00 -0.22 0.00 0.00 54.13 54.83 2bd3 s LEU 202 Cb -0.08 -3.14 0.03 0.00 0.50 0.00 0.00 46.19 43.50 2bd3 s LEU 202 CO -0.00 -0.58 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.75 2bd3 s VAL 203 N 2.93 0.39 -1.60 1.68 1.01 -0.17 -4.80 120.40 119.84 2bd3 s VAL 203 Ca 0.34 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 62.22 2bd3 s VAL 203 Cb -0.15 -0.50 0.11 0.00 0.00 0.00 0.00 36.38 35.85 2bd3 s VAL 203 CO 0.10 0.23 0.83 0.59 0.00 0.00 0.00 175.10 176.86 2bd3 n ASN 204 N 4.68 -3.58 0.00 3.32 5.03 -1.26 -1.85 115.26 121.60 2bd3 n ASN 204 Ca -0.15 -0.92 0.00 0.00 0.87 0.00 0.00 54.58 54.38 2bd3 n ASN 204 Cb 0.50 -3.26 0.00 0.00 -1.02 0.00 0.00 39.78 36.01 2bd3 n ASN 204 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bd3 n GLY 205 N -1.57 1.45 3.16 7.41 0.00 -1.26 -5.02 105.19 109.36 2bd3 n GLY 205 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 2bd3 n GLY 205 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2bd3 s GLN 206 N -0.22 1.96 0.13 1.61 0.74 -0.77 -5.11 119.66 118.00 2bd3 s GLN 206 Ca 0.00 -0.66 -0.30 0.00 0.05 0.00 0.00 55.36 54.45 2bd3 s GLN 206 Cb 0.00 -1.68 -0.06 0.00 1.10 0.00 0.00 33.01 32.37 2bd3 s GLN 206 CO 0.00 0.25 1.02 0.71 -0.55 0.00 0.00 175.29 176.72 2bd3 s TYR 207 N 0.04 3.72 0.15 1.67 1.51 -1.26 -1.00 117.35 122.18 2bd3 s TYR 207 Ca -0.05 1.70 0.06 0.00 -1.01 0.00 0.00 57.07 57.77 2bd3 s TYR 207 Cb -0.12 -3.15 -0.04 0.00 -0.11 0.00 0.00 41.96 38.54 2bd3 s TYR 207 CO 0.03 -0.15 -0.13 0.00 -1.11 0.00 0.00 175.55 174.19 2bd3 s ALA 208 N 0.02 1.58 -0.60 3.71 0.00 -0.54 -4.65 121.76 121.27 2bd3 s ALA 208 Ca 0.49 -1.44 -0.21 0.00 0.00 0.00 0.00 51.96 50.80 2bd3 s ALA 208 Cb -0.26 -0.03 0.07 0.00 0.00 0.00 0.00 23.12 22.90 2bd3 s ALA 208 CO 0.31 0.02 0.84 0.08 0.00 0.00 0.00 175.76 177.01 2bd3 s VAL 209 N -2.73 4.55 -0.42 0.00 1.01 0.34 -0.68 120.40 122.47 2bd3 s VAL 209 Ca 0.14 -0.45 0.23 0.00 0.00 0.00 0.00 61.98 61.90 2bd3 s VAL 209 Cb -0.01 -4.55 -0.08 0.00 0.00 0.00 0.00 36.38 31.74 2bd3 s VAL 209 CO 0.03 -1.21 1.01 1.41 0.00 0.00 0.00 175.10 176.33 2bd3 n HIS 210 N 7.06 0.51 -4.07 5.22 8.25 -0.09 -4.26 115.22 127.84 2bd3 n HIS 210 Ca -0.05 0.15 -0.12 0.00 -0.26 0.00 0.00 57.72 57.44 2bd3 n HIS 210 Cb 0.45 -0.65 -0.11 0.00 1.12 0.00 0.00 29.99 30.80 2bd3 n HIS 210 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2bd3 s GLY 211 N -3.99 0.52 -0.25 -1.41 0.00 -1.15 -1.56 107.32 99.47 2bd3 s GLY 211 Ca 0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 44.72 43.85 2bd3 s GLY 211 CO 0.80 -0.91 -0.02 0.14 0.00 0.00 0.00 173.10 173.10 2bd3 s VAL 212 N -1.80 3.29 0.11 1.40 1.01 -0.64 -1.32 120.40 122.45 2bd3 s VAL 212 Ca -0.07 -0.76 -0.33 0.00 0.00 0.00 0.00 61.98 60.81 2bd3 s VAL 212 Cb -0.07 -2.61 -0.13 0.00 0.00 0.00 0.00 36.38 33.57 2bd3 s VAL 212 CO -0.01 0.25 1.70 0.41 0.00 0.00 0.00 175.10 177.46 2bd3 n THR 213 N 4.76 0.18 -0.00 3.92 -1.04 0.40 -0.54 114.28 121.95 2bd3 n THR 213 Ca -0.17 -0.03 -0.04 0.00 -2.04 0.00 0.00 64.05 61.77 2bd3 n THR 213 Cb 0.49 -1.77 -0.01 0.00 -1.82 0.00 0.00 70.33 67.21 2bd3 n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2bd3 n SER 214 N 4.53 0.93 -3.58 8.00 2.88 0.06 -0.17 113.62 126.26 2bd3 n SER 214 Ca 0.18 0.14 -0.12 0.00 -1.33 0.00 0.00 58.87 57.74 2bd3 n SER 214 Cb 0.31 -0.32 -0.04 0.00 -0.75 0.00 0.00 64.21 63.41 2bd3 n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2bd3 s PHE 215 N -2.16 -0.32 0.43 0.66 -0.71 -0.65 -4.93 117.98 110.30 2bd3 s PHE 215 Ca -0.07 0.12 0.03 0.00 -1.04 0.00 0.00 56.93 55.97 2bd3 s PHE 215 Cb 0.02 0.33 -0.02 0.00 -1.21 0.00 0.00 43.02 42.14 2bd3 s PHE 215 CO 0.10 -0.70 0.10 0.14 -1.34 0.00 0.00 175.22 173.52 2bd3 s VAL 216 N -3.39 0.72 0.52 -2.49 -7.23 -1.26 -1.03 120.40 106.25 2bd3 s VAL 216 Ca 0.00 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 57.95 2bd3 s VAL 216 Cb 0.01 -2.31 -0.05 0.00 0.56 0.00 0.00 36.38 34.58 2bd3 s VAL 216 CO -0.09 0.00 1.27 -0.55 -0.31 0.00 0.00 175.10 175.42 2bd3 s SER 217 N -3.67 5.54 0.54 4.85 0.15 -1.23 -4.90 113.70 114.98 2bd3 s SER 217 Ca 0.20 2.57 0.35 0.00 0.70 0.00 0.00 55.95 59.76 2bd3 s SER 217 Cb 0.02 -2.62 1.61 0.00 -1.71 0.00 0.00 66.02 63.32 2bd3 s SER 217 CO 0.12 -1.37 2.04 0.03 1.20 0.00 0.00 173.24 175.27 2bd3 h ARG 217 N 1.57 0.00 0.00 5.44 3.08 -2.01 -2.49 114.38 119.98 2bd3 h ARG 217 Ca -0.50 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.44 2bd3 h ARG 217 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 2bd3 h ARG 217 CO 0.58 0.00 -0.49 -0.07 -1.07 0.00 0.00 179.97 178.92 2bd3 h LEU 218 N 0.00 0.00 0.00 3.04 3.38 -2.04 -3.49 115.31 116.21 2bd3 h LEU 218 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bd3 h LEU 218 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2bd3 h LEU 218 CO 0.00 0.49 0.00 0.61 0.09 0.00 0.00 178.44 179.63 2bd3 n GLY 219 N 0.21 2.40 0.19 0.83 0.00 -0.94 -5.05 105.19 102.84 2bd3 n GLY 219 Ca -0.01 -1.04 -0.07 0.00 0.00 0.00 0.00 46.02 44.90 2bd3 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bd3 s ASN 221 N -4.48 6.58 -0.09 0.00 4.22 -1.26 -4.70 114.94 115.19 2bd3 s ASN 221 Ca -0.06 -2.02 0.02 0.00 -2.14 0.00 0.00 52.86 48.66 2bd3 s ASN 221 Cb 0.01 -2.36 0.01 0.00 1.28 0.00 0.00 41.25 40.19 2bd3 s ASN 221 CO 0.19 -1.02 -0.17 -0.69 -2.04 0.00 0.00 177.10 173.38 2bd3 s VAL 221 N 2.38 1.54 0.24 3.54 1.01 -1.26 -4.68 120.40 123.17 2bd3 s VAL 221 Ca 0.28 -0.69 -0.31 0.00 0.00 0.00 0.00 61.98 61.26 2bd3 s VAL 221 Cb -0.08 -1.38 -0.11 0.00 0.00 0.00 0.00 36.38 34.81 2bd3 s VAL 221 CO -0.07 0.45 1.58 -0.89 0.00 0.00 0.00 175.10 176.17 2bd3 s THR 222 N 0.74 2.28 -0.92 3.92 2.01 -1.26 -1.37 115.64 121.04 2bd3 s THR 222 Ca -0.12 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.10 2bd3 s THR 222 Cb -0.16 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.21 2bd3 s THR 222 CO 0.02 0.03 0.00 0.54 -0.69 0.00 0.00 174.62 174.52 2bd3 n ARG 223 N 2.91 -0.95 -3.44 4.92 1.74 -0.35 -4.93 116.66 116.56 2bd3 n ARG 223 Ca 0.10 0.74 -0.27 0.00 -0.77 0.00 0.00 57.85 57.66 2bd3 n ARG 223 Cb 0.38 -4.72 -0.08 0.00 -1.02 0.00 0.00 32.46 27.01 2bd3 n ARG 223 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2bd3 n LYS 224 N -2.04 2.04 -1.18 5.56 4.76 -0.47 -4.16 118.16 122.65 2bd3 n LYS 224 Ca -0.09 -4.34 -0.34 0.00 -2.87 0.00 0.00 58.31 50.67 2bd3 n LYS 224 Cb 0.37 -2.06 0.11 0.00 -1.84 0.00 0.00 35.03 31.62 2bd3 n LYS 224 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2bd3 n PRO 225 N 1.16 0.29 -1.86 1.97 -0.04 -1.26 -4.50 135.00 130.75 2bd3 n PRO 225 Ca 0.27 0.17 -0.40 0.00 -0.04 0.00 0.00 63.50 63.50 2bd3 n PRO 225 Cb 0.43 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 2bd3 n PRO 225 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2bd3 s THR 226 N -2.02 2.19 -0.09 0.52 2.01 -0.34 -4.74 115.64 113.16 2bd3 s THR 226 Ca 0.73 0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.92 2bd3 s THR 226 Cb -0.31 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 2bd3 s THR 226 CO 0.51 0.03 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.66 2bd3 s VAL 227 N -1.17 3.21 0.05 3.82 1.01 -0.20 -1.16 120.40 125.95 2bd3 s VAL 227 Ca 0.56 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.98 2bd3 s VAL 227 Cb -0.44 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2bd3 s VAL 227 CO 0.58 0.56 -0.20 -0.36 0.00 0.00 0.00 175.10 175.67 2bd3 s PHE 228 N -0.21 1.78 0.22 5.22 0.08 0.65 -0.76 117.98 124.97 2bd3 s PHE 228 Ca 0.01 -0.38 -0.31 0.00 0.12 0.00 0.00 56.93 56.38 2bd3 s PHE 228 Cb -0.13 -1.05 -0.10 0.00 -0.57 0.00 0.00 43.02 41.17 2bd3 s PHE 228 CO 0.03 0.10 1.50 0.99 -0.10 0.00 0.00 175.22 177.74 2bd3 s THR 229 N -0.85 2.60 -0.55 0.64 2.01 0.29 -0.46 115.64 119.33 2bd3 s THR 229 Ca 0.07 0.48 -0.28 0.00 0.31 0.00 0.00 61.69 62.27 2bd3 s THR 229 Cb -0.09 -3.31 0.02 0.00 0.01 0.00 0.00 72.50 69.14 2bd3 s THR 229 CO 0.02 0.06 1.29 -0.60 -0.69 0.00 0.00 174.62 174.70 2bd3 s ARG 230 N 0.14 3.46 0.28 4.92 3.52 0.04 -1.61 118.95 129.70 2bd3 s ARG 230 Ca 0.63 0.42 0.00 0.00 -0.13 0.00 0.00 55.73 56.65 2bd3 s ARG 230 Cb -0.43 -4.05 0.53 0.00 -1.56 0.00 0.00 34.95 29.45 2bd3 s ARG 230 CO 0.39 -1.74 1.83 0.28 -0.81 0.00 0.00 175.30 175.25 2bd3 h VAL 231 N 6.27 0.90 0.00 7.11 2.07 -1.58 -1.30 116.25 129.72 2bd3 h VAL 231 Ca -0.26 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2bd3 h VAL 231 Cb 1.07 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2bd3 h VAL 231 CO 1.17 0.17 0.00 -1.54 0.02 0.00 0.00 177.57 177.39 2bd3 n SER 232 N -4.66 0.00 -0.04 0.57 3.41 -1.26 -0.81 113.62 110.84 2bd3 n SER 232 Ca 0.18 0.24 0.13 0.00 -0.26 0.00 0.00 58.87 59.16 2bd3 n SER 232 Cb 0.35 -0.35 0.49 0.00 -0.26 0.00 0.00 64.21 64.44 2bd3 n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bd3 n ALA 233 N -1.35 2.87 -0.59 7.33 0.00 -0.49 -0.66 120.51 127.62 2bd3 n ALA 233 Ca 0.05 -0.23 0.03 0.00 0.00 0.00 0.00 53.44 53.28 2bd3 n ALA 233 Cb 0.11 -1.31 0.04 0.00 0.00 0.00 0.00 19.45 18.29 2bd3 n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2bd3 n TYR 234 N -1.34 0.00 -0.16 0.00 4.02 0.01 -4.82 117.16 114.87 2bd3 n TYR 234 Ca 0.09 -0.53 -0.07 0.00 -0.01 0.00 0.00 57.90 57.37 2bd3 n TYR 234 Cb 0.32 -0.07 0.01 0.00 -0.02 0.00 0.00 39.34 39.58 2bd3 n TYR 234 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 2bd3 h ILE 235 N 0.96 1.14 -0.62 -0.72 1.08 -1.72 0.53 117.51 118.17 2bd3 h ILE 235 Ca 0.00 -0.31 -0.03 0.00 -0.39 0.00 0.00 64.86 64.13 2bd3 h ILE 235 Cb 0.78 0.49 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 2bd3 h ILE 235 CO 0.00 0.14 0.25 0.28 -0.69 0.00 0.00 178.15 178.14 2bd3 h SER 236 N 0.64 0.85 0.02 1.72 0.02 -1.92 -0.63 113.55 114.26 2bd3 h SER 236 Ca 0.17 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2bd3 h SER 236 Cb -0.02 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.29 2bd3 h SER 236 CO -0.03 0.78 -0.03 -0.25 -1.14 0.00 0.00 176.83 176.15 2bd3 h TRP 237 N 0.86 -0.08 -0.02 3.45 7.01 -1.80 0.64 115.95 126.01 2bd3 h TRP 237 Ca 0.21 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.23 2bd3 h TRP 237 Cb 0.19 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.26 2bd3 h TRP 237 CO 0.01 -0.05 -0.10 0.82 -2.79 0.00 0.00 178.44 176.33 2bd3 h ILE 238 N -0.07 0.75 -0.94 2.65 2.04 -0.72 -0.31 117.51 120.91 2bd3 h ILE 238 Ca 0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2bd3 h ILE 238 Cb 0.07 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 2bd3 h ILE 238 CO -0.02 0.00 0.62 0.78 0.00 0.00 0.00 178.15 179.53 2bd3 h ASN 239 N -0.16 1.06 -0.65 1.72 2.35 -0.93 -1.80 115.58 117.17 2bd3 h ASN 239 Ca 0.04 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 2bd3 h ASN 239 Cb 0.21 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 2bd3 h ASN 239 CO -0.11 0.76 0.20 0.78 -1.65 0.00 0.00 177.43 177.41 2bd3 h ASN 240 N 1.25 0.95 -0.27 5.81 2.35 -0.43 -0.99 115.58 124.24 2bd3 h ASN 240 Ca 0.35 -0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 2bd3 h ASN 240 Cb -0.10 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.01 2bd3 h ASN 240 CO -0.09 0.90 0.00 0.58 -1.65 0.00 0.00 177.43 177.18 2bd3 h VAL 241 N 0.94 1.26 -0.69 2.81 2.07 -0.63 -2.06 116.25 119.95 2bd3 h VAL 241 Ca 0.21 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 2bd3 h VAL 241 Cb 0.29 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2bd3 h VAL 241 CO -0.01 0.29 0.25 0.40 0.02 0.00 0.00 177.57 178.52 2bd3 h ILE 242 N 0.26 1.25 -0.33 4.57 2.04 -1.24 -1.93 117.51 122.14 2bd3 h ILE 242 Ca 0.08 -0.82 -0.05 0.00 1.00 0.00 0.00 64.86 65.06 2bd3 h ILE 242 Cb 0.42 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 2bd3 h ILE 242 CO 0.01 0.32 -0.01 0.00 0.00 0.00 0.00 178.15 178.47 2bd3 h ALA 243 N 1.11 1.37 -0.17 1.87 0.00 -1.12 -2.83 119.26 119.49 2bd3 h ALA 243 Ca 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2bd3 h ALA 243 Cb 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2bd3 h ALA 243 CO -0.01 0.44 0.00 -1.13 0.00 0.00 0.00 179.25 178.54 2bd3 n SER 244 N -4.28 2.42 0.00 0.00 3.41 -0.78 -5.10 113.62 109.30 2bd3 n SER 244 Ca 0.01 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.81 2bd3 n SER 244 Cb 0.25 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2bd3 n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47